diff --git a/docker-compose.yml b/docker-compose.yml index 0e5d3e7..489f100 100644 --- a/docker-compose.yml +++ b/docker-compose.yml @@ -34,3 +34,5 @@ web: - "8000:8000" links: - mysql + environment: + - PYTHONUNBUFFERED=0 diff --git a/pgd/settings.py b/pgd/settings.py index 73a75f4..1a1666a 100644 --- a/pgd/settings.py +++ b/pgd/settings.py @@ -4,7 +4,7 @@ import os PROJECT_ROOT = os.path.dirname(os.path.abspath(os.path.dirname(__file__))) -DEBUG = config('DEBUG', default=False, cast=bool) +DEBUG = True TEMPLATE_DEBUG = DEBUG ADMINS = ( diff --git a/pgd_core/models.py b/pgd_core/models.py index 776fa1f..05210f1 100644 --- a/pgd_core/models.py +++ b/pgd_core/models.py @@ -19,6 +19,9 @@ class Protein(models.Model): # updates allowing up-to-date proteins to be skipped. pdb_date = models.DateTimeField() + #Deposition date retrieved from the protein file + deposition_date = models.DateTimeField(null=True) + # JMT: upgrade to Django 1.6 caused deadlocks on insert class Meta: select_on_save = True diff --git a/pgd_search/models.py b/pgd_search/models.py index 1c7335f..7395d6e 100644 --- a/pgd_search/models.py +++ b/pgd_search/models.py @@ -2,6 +2,7 @@ from math import ceil import re import cPickle +import pytz from django import forms from django.conf import settings @@ -14,6 +15,7 @@ from pgd_splicer.sidechain import bond_lengths_string_dict, bond_angles_string_dict from pgd_core.util import residue_indexes +import datetime range_re = re.compile("(?<=[^-<>=])-") comp_re = re.compile("^([<>]=?)?") @@ -148,6 +150,49 @@ def parse_search(self): if data.threshold != None: query = query.filter(protein__threshold__lte=data.threshold) + #...filter protein by date + if data.depositiondate != None : + range_list = data.depositiondate.split(',') + #Setting upper bound in future and lower bound way back in past + #This is done if the users doesn't give the initial values + lower_bound, higher_bound = 1900, 2020 + + upper_strict, lower_strict = False, False + end_year, start_year = None, None + for qstring in range_list: + qstring = qstring.strip() + if '<=' in qstring: + higher_bound = qstring.strip('<=') + + elif '<' in qstring: + higher_bound = qstring.strip('<') + lower_strict = True + + elif '>=' in qstring: + lower_bound = qstring.strip('>=') + + elif '>' in qstring : + lower_bound = qstring.strip('>') + upper_strict = True + + if lower_bound : + start_year = datetime.datetime(int(lower_bound), 1, 1, tzinfo=pytz.timezone('UTC')) + if higher_bound : + end_year = datetime.datetime(int(higher_bound), 1, 1, tzinfo=pytz.timezone('UTC')) + + if lower_strict and upper_strict: + query = query.filter(protein__deposition_date__lt=end_year,protein__deposition_date__gt=start_year) + + elif lower_strict and not upper_strict : + query = query.filter(protein__deposition_date__lt=end_year,protein__deposition_date__gte=start_year) + + elif not lower_strict and upper_strict : + query = query.filter(protein__deposition_date__lte=end_year,protein__deposition_date__gt=start_year) + + else : + query = query.filter(protein__deposition_date__lte=end_year,protein__deposition_date__gte=start_year) + + # ...filter by query strings (for values and value ranges)... def compare(x,y): if x == y: diff --git a/pgd_search/search/SearchForm.py b/pgd_search/search/SearchForm.py index 876984b..da5fa2a 100644 --- a/pgd_search/search/SearchForm.py +++ b/pgd_search/search/SearchForm.py @@ -77,6 +77,7 @@ class SearchFormBase(Form): widget=HiddenInput(attrs={'class':'include'})) residues = ChoiceField(choices=[(i,i) for i in range(1, settings.SEGMENT_SIZE+1)], initial=3) + depositiondate = CharField(required=False) # Build a dict for the fields of variable number form_dict = {'__module__' : 'pgd_search.views'} diff --git a/pgd_search/templates/search.html b/pgd_search/templates/search.html index 6b6bdb0..26e4109 100644 --- a/pgd_search/templates/search.html +++ b/pgd_search/templates/search.html @@ -93,6 +93,7 @@ R-free {{form.rfreeMin}} - {{form.rfreeMax}} + {{form.threshold.label}} diff --git a/pgd_splicer/ProcessPDBTask.py b/pgd_splicer/ProcessPDBTask.py index c68c506..50b3b93 100755 --- a/pgd_splicer/ProcessPDBTask.py +++ b/pgd_splicer/ProcessPDBTask.py @@ -233,6 +233,7 @@ def process_pdb(data): protein.rfactor = float(data['rfactor']) protein.rfree = float(data['rfree']) protein.pdb_date = data['pdb_date'] + protein.deposition_date = data['deposition_date'] protein.save() # 3) Get/Create Chains and save values @@ -352,7 +353,7 @@ def pdb_file_is_newer(data): def amino_present(s): """ Whether a given line contains a valid amino acid. - + NB: "SEC" is a valid amino acid, regardless of its absence from AA3to1. @@ -407,6 +408,9 @@ def parseWithBioPython(path, props, chains_filter=None): structure = Bio.PDB.PDBParser().get_structure('pdbname', decompressed.name) + + header = Bio.PDB.parse_pdb_header(decompressed) + props['deposition_date'] = datetime.strptime(header['deposition_date'], "%Y-%m-%d") # dssp can't do multiple models. if we ever need to, we'll have to # iterate through them @@ -680,6 +684,9 @@ def parseWithBioPython(path, props, chains_filter=None): print 'Processed %s residues' % len(residues) + prop_file = open('props.txt', 'a+') + prop_file.write(str(props)) + prop_file.close() return props diff --git a/pgd_splicer/fixtures/pgd_splicer.json b/pgd_splicer/fixtures/pgd_splicer.json index 4ff7af5..0a5de29 100644 --- a/pgd_splicer/fixtures/pgd_splicer.json +++ b/pgd_splicer/fixtures/pgd_splicer.json @@ -3,74 +3,72 @@ "pk": "1H0H", "model": "pgd_core.protein", "fields": { - "threshold": 25, - "rfactor": 0.17, + "deposition_date": "2002-06-19T05:00:00Z", "resolution": 1.8, - "pdb_date": "2015-05-07T23:23:38Z", - "rfree": 0.2 + "pdb_date": "2015-06-23T00:16:20Z", + "rfree": 0.2, + "threshold": 25, + "rfactor": 0.17 } }, { "pk": "1MWQ", "model": "pgd_core.protein", "fields": { - "threshold": 25, - "rfactor": 0.11, + "deposition_date": "2002-09-30T05:00:00Z", "resolution": 0.99, - "pdb_date": "2015-05-07T23:23:40Z", - "rfree": 0.13 + "pdb_date": "2015-06-23T00:16:20Z", + "rfree": 0.13, + "threshold": 25, + "rfactor": 0.11 } }, { "pk": "1MWW", "model": "pgd_core.protein", "fields": { - "threshold": 25, - "rfactor": 0.2, + "deposition_date": "2002-10-01T05:00:00Z", "resolution": 2.08, - "pdb_date": "2015-05-07T23:23:42Z", - "rfree": 0.27 + "pdb_date": "2015-06-23T00:16:20Z", + "rfree": 0.27, + "threshold": 25, + "rfactor": 0.2 } }, { "pk": "1TWF", "model": "pgd_core.protein", "fields": { - "threshold": 25, - "rfactor": 0.26, + "deposition_date": "2004-06-30T05:00:00Z", "resolution": 2.3, - "pdb_date": "2015-05-07T23:23:45Z", - "rfree": 0.29 + "pdb_date": "2015-06-23T00:16:20Z", + "rfree": 0.29, + "threshold": 25, + "rfactor": 0.26 } }, { "pk": "3CGM", "model": "pgd_core.protein", "fields": { - "threshold": 25, - "rfactor": 0.19, + "deposition_date": "2008-03-06T06:00:00Z", "resolution": 2.41, - "pdb_date": "2015-05-07T23:23:47Z", - "rfree": 0.23 + "pdb_date": "2015-06-23T00:16:20Z", + "rfree": 0.23, + "threshold": 25, + "rfactor": 0.19 } }, { "pk": "3CGZ", "model": "pgd_core.protein", "fields": { - "threshold": 90, - "rfactor": 0.23, + "deposition_date": "2008-03-06T06:00:00Z", "resolution": 1.9, - "pdb_date": "2015-05-07T23:23:49Z", - "rfree": 0.26 - } -}, -{ - "pk": "1H0HA", - "model": "pgd_core.chain", - "fields": { - "protein": "1H0H", - "code": "A" + "pdb_date": "2015-06-23T00:16:20Z", + "rfree": 0.26, + "threshold": 90, + "rfactor": 0.23 } }, { @@ -188,6 +186,44 @@ { "pk": 1, "model": "pgd_core.sidechain_arg", + "fields": { + "NE_CZ": 1.32915304897948, + "CZ_NH2": 1.32160521684147, + "CZ_NH1": 1.33035261168953, + "CG_CD_NE": 111.617445929088, + "NE_CZ_NH1": 120.42403451635, + "NH1_CZ_NH2": 119.818979282242, + "CB_CG": 1.51869593385606, + "NE_CZ_NH2": 119.756934817343, + "CD_NE_CZ": 124.546163642859, + "CD_NE": 1.46515949461161, + "CG_CD": 1.51355971827685, + "CB_CG_CD": 111.876651046436, + "CA_CB_CG": 115.651149361005 + } +}, +{ + "pk": 2, + "model": "pgd_core.sidechain_arg", + "fields": { + "NE_CZ": 1.32382196336919, + "CZ_NH2": 1.3389175736791, + "CZ_NH1": 1.32426612962656, + "CG_CD_NE": 112.992296190598, + "NE_CZ_NH1": 119.542434468052, + "NH1_CZ_NH2": 119.939390421457, + "CB_CG": 1.4963902097964, + "NE_CZ_NH2": 120.517381728953, + "CD_NE_CZ": 124.401853707122, + "CD_NE": 1.45727122541122, + "CG_CD": 1.50973418420202, + "CB_CG_CD": 111.555463502305, + "CA_CB_CG": 112.931318028811 + } +}, +{ + "pk": 3, + "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33213940087435, "CZ_NH2": 1.32715209066431, @@ -205,7 +241,26 @@ } }, { - "pk": 2, + "pk": 4, + "model": "pgd_core.sidechain_arg", + "fields": { + "NE_CZ": 1.34129980101084, + "CZ_NH2": 1.3359543129204, + "CZ_NH1": 1.33217237350443, + "CG_CD_NE": 107.934264905287, + "NE_CZ_NH1": 121.646795901309, + "NH1_CZ_NH2": 118.061216281736, + "CB_CG": 1.52677212574853, + "NE_CZ_NH2": 120.291923443413, + "CD_NE_CZ": 126.165868847415, + "CD_NE": 1.45928993167885, + "CG_CD": 1.5564072691556, + "CB_CG_CD": 113.968104437755, + "CA_CB_CG": 111.763259793688 + } +}, +{ + "pk": 5, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32469497891232, @@ -224,7 +279,7 @@ } }, { - "pk": 3, + "pk": 6, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.31920263428821, @@ -243,7 +298,26 @@ } }, { - "pk": 4, + "pk": 7, + "model": "pgd_core.sidechain_arg", + "fields": { + "NE_CZ": 1.34127283051619, + "CZ_NH2": 1.33952954399501, + "CZ_NH1": 1.32585791908088, + "CG_CD_NE": 117.908818679346, + "NE_CZ_NH1": 119.971644620249, + "NH1_CZ_NH2": 118.662774352357, + "CB_CG": 1.47426587423074, + "NE_CZ_NH2": 120.435951197061, + "CD_NE_CZ": 123.998624178404, + "CD_NE": 1.47160670280989, + "CG_CD": 1.51055831611775, + "CB_CG_CD": 108.013113379559, + "CA_CB_CG": 114.374622655084 + } +}, +{ + "pk": 8, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33679663358465, @@ -262,64 +336,26 @@ } }, { - "pk": 5, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32915304897948, - "CZ_NH2": 1.32160521684147, - "CZ_NH1": 1.33035261168953, - "CG_CD_NE": 111.617445929088, - "NE_CZ_NH1": 120.42403451635, - "NH1_CZ_NH2": 119.818979282242, - "CB_CG": 1.51869593385606, - "NE_CZ_NH2": 119.756934817343, - "CD_NE_CZ": 124.546163642859, - "CD_NE": 1.46515949461161, - "CG_CD": 1.51355971827685, - "CB_CG_CD": 111.876651046436, - "CA_CB_CG": 115.651149361005 - } -}, -{ - "pk": 6, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32382196336919, - "CZ_NH2": 1.3389175736791, - "CZ_NH1": 1.32426612962656, - "CG_CD_NE": 112.992296190598, - "NE_CZ_NH1": 119.542434468052, - "NH1_CZ_NH2": 119.939390421457, - "CB_CG": 1.4963902097964, - "NE_CZ_NH2": 120.517381728953, - "CD_NE_CZ": 124.401853707122, - "CD_NE": 1.45727122541122, - "CG_CD": 1.50973418420202, - "CB_CG_CD": 111.555463502305, - "CA_CB_CG": 112.931318028811 - } -}, -{ - "pk": 7, + "pk": 9, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.34127283051619, - "CZ_NH2": 1.33952954399501, - "CZ_NH1": 1.32585791908088, - "CG_CD_NE": 117.908818679346, - "NE_CZ_NH1": 119.971644620249, - "NH1_CZ_NH2": 118.662774352357, - "CB_CG": 1.47426587423074, - "NE_CZ_NH2": 120.435951197061, - "CD_NE_CZ": 123.998624178404, - "CD_NE": 1.47160670280989, - "CG_CD": 1.51055831611775, - "CB_CG_CD": 108.013113379559, - "CA_CB_CG": 114.374622655084 + "NE_CZ": 1.34439982627377, + "CZ_NH2": 1.34162917422441, + "CZ_NH1": 1.35258897382192, + "CG_CD_NE": 112.360986145764, + "NE_CZ_NH1": 121.52646950038, + "NH1_CZ_NH2": 119.516217535472, + "CB_CG": 1.49909960519247, + "NE_CZ_NH2": 118.956450993076, + "CD_NE_CZ": 125.391015349716, + "CD_NE": 1.464375225084, + "CG_CD": 1.49902808786187, + "CB_CG_CD": 112.494222624463, + "CA_CB_CG": 110.314690377459 } }, { - "pk": 8, + "pk": 10, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33232588320454, @@ -338,7 +374,26 @@ } }, { - "pk": 9, + "pk": 11, + "model": "pgd_core.sidechain_arg", + "fields": { + "NE_CZ": 1.33349585646684, + "CZ_NH2": 1.3132983612533, + "CZ_NH1": 1.3092258158535, + "CG_CD_NE": 113.898964573584, + "NE_CZ_NH1": 120.270278912389, + "NH1_CZ_NH2": 119.103072637122, + "CB_CG": 1.54506930530183, + "NE_CZ_NH2": 120.617193414096, + "CD_NE_CZ": 123.210563047542, + "CD_NE": 1.46173216740915, + "CG_CD": 1.46788605271158, + "CB_CG_CD": 111.723915913155, + "CA_CB_CG": 111.625468169624 + } +}, +{ + "pk": 12, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.34478075794601, @@ -357,7 +412,7 @@ } }, { - "pk": 10, + "pk": 13, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3331436280789, @@ -376,7 +431,7 @@ } }, { - "pk": 11, + "pk": 14, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33389201693638, @@ -395,7 +450,7 @@ } }, { - "pk": 12, + "pk": 15, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33288525145351, @@ -414,7 +469,7 @@ } }, { - "pk": 13, + "pk": 16, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32965401666096, @@ -432,63 +487,6 @@ "CA_CB_CG": 111.933179385893 } }, -{ - "pk": 14, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.34129980101084, - "CZ_NH2": 1.3359543129204, - "CZ_NH1": 1.33217237350443, - "CG_CD_NE": 107.934264905287, - "NE_CZ_NH1": 121.646795901309, - "NH1_CZ_NH2": 118.061216281736, - "CB_CG": 1.52677212574853, - "NE_CZ_NH2": 120.291923443413, - "CD_NE_CZ": 126.165868847415, - "CD_NE": 1.45928993167885, - "CG_CD": 1.5564072691556, - "CB_CG_CD": 113.968104437755, - "CA_CB_CG": 111.763259793688 - } -}, -{ - "pk": 15, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.34439982627377, - "CZ_NH2": 1.34162917422441, - "CZ_NH1": 1.35258897382192, - "CG_CD_NE": 112.360986145764, - "NE_CZ_NH1": 121.52646950038, - "NH1_CZ_NH2": 119.516217535472, - "CB_CG": 1.49909960519247, - "NE_CZ_NH2": 118.956450993076, - "CD_NE_CZ": 125.391015349716, - "CD_NE": 1.464375225084, - "CG_CD": 1.49902808786187, - "CB_CG_CD": 112.494222624463, - "CA_CB_CG": 110.314690377459 - } -}, -{ - "pk": 16, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33349585646684, - "CZ_NH2": 1.3132983612533, - "CZ_NH1": 1.3092258158535, - "CG_CD_NE": 113.898964573584, - "NE_CZ_NH1": 120.270278912389, - "NH1_CZ_NH2": 119.103072637122, - "CB_CG": 1.54506930530183, - "NE_CZ_NH2": 120.617193414096, - "CD_NE_CZ": 123.210563047542, - "CD_NE": 1.46173216740915, - "CG_CD": 1.46788605271158, - "CB_CG_CD": 111.723915913155, - "CA_CB_CG": 111.625468169624 - } -}, { "pk": 17, "model": "pgd_core.sidechain_arg", @@ -645,271 +643,195 @@ "pk": 25, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.34385074841643, - "CZ_NH2": 1.33212753314399, - "CZ_NH1": 1.33448807036403, - "CG_CD_NE": 112.178407659203, - "NE_CZ_NH1": 120.039283752744, - "NH1_CZ_NH2": 120.218481087323, - "CB_CG": 1.53581706566142, - "NE_CZ_NH2": 119.738259366867, - "CD_NE_CZ": 123.940921212488, - "CD_NE": 1.46358035109225, - "CG_CD": 1.5378083440906, - "CB_CG_CD": 114.326950247855, - "CA_CB_CG": 116.140618798896 + "NE_CZ": 1.32701101775583, + "CZ_NH2": 1.34450781322642, + "CZ_NH1": 1.32746727640253, + "CG_CD_NE": 112.337241455145, + "NE_CZ_NH1": 118.314330382639, + "NH1_CZ_NH2": 120.417082049441, + "CB_CG": 1.51356096008963, + "NE_CZ_NH2": 121.26858756271, + "CD_NE_CZ": 122.439336332816, + "CD_NE": 1.45767118241992, + "CG_CD": 1.50616046611997, + "CB_CG_CD": 112.959837788103, + "CA_CB_CG": 114.659280015968 } }, { "pk": 26, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.32790900687566, - "CZ_NH2": 1.33137704255677, - "CZ_NH1": 1.34623973803107, - "CG_CD_NE": 110.402433664801, - "NE_CZ_NH1": 120.800165269175, - "NH1_CZ_NH2": 120.129400827524, - "CB_CG": 1.52237672206388, - "NE_CZ_NH2": 119.070124288749, - "CD_NE_CZ": 124.997661596332, - "CD_NE": 1.45531414278744, - "CG_CD": 1.5214646464771, - "CB_CG_CD": 115.349085458774, - "CA_CB_CG": 111.418867353917 + "NE_CZ": 1.31020624757002, + "CZ_NH2": 1.33409224863455, + "CZ_NH1": 1.3484073173971, + "CG_CD_NE": 110.296464653235, + "NE_CZ_NH1": 119.363158206137, + "NH1_CZ_NH2": 121.096510733979, + "CB_CG": 1.53847948933493, + "NE_CZ_NH2": 119.533014023542, + "CD_NE_CZ": 123.651419937896, + "CD_NE": 1.4555298405469, + "CG_CD": 1.51737388865348, + "CB_CG_CD": 114.450372619741, + "CA_CB_CG": 109.744888680486 } }, { "pk": 27, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.32470477942481, - "CZ_NH2": 1.32941786208787, - "CZ_NH1": 1.33104180902938, - "CG_CD_NE": 111.133802418934, - "NE_CZ_NH1": 120.20583790526, - "NH1_CZ_NH2": 119.870874806256, - "CB_CG": 1.5464356144758, - "NE_CZ_NH2": 119.923032898458, - "CD_NE_CZ": 124.349987760957, - "CD_NE": 1.46502708402157, - "CG_CD": 1.51826428638638, - "CB_CG_CD": 112.933284306438, - "CA_CB_CG": 112.881067228117 + "NE_CZ": 1.32734149002393, + "CZ_NH2": 1.31724106732679, + "CZ_NH1": 1.33321751221454, + "CG_CD_NE": 113.777210064804, + "NE_CZ_NH1": 120.371928739092, + "NH1_CZ_NH2": 119.819617942074, + "CB_CG": 1.51257799942301, + "NE_CZ_NH2": 119.808388382073, + "CD_NE_CZ": 123.831443964493, + "CD_NE": 1.46016432900259, + "CG_CD": 1.52142034384187, + "CB_CG_CD": 113.001026278844, + "CA_CB_CG": 114.016480447698 } }, { "pk": 28, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.32798691111244, - "CZ_NH2": 1.33665659406982, - "CZ_NH1": 1.33957655160394, - "CG_CD_NE": 110.414558560376, - "NE_CZ_NH1": 120.506621658755, - "NH1_CZ_NH2": 120.229388830118, - "CB_CG": 1.51702532694468, - "NE_CZ_NH2": 119.237491614832, - "CD_NE_CZ": 125.285942947004, - "CD_NE": 1.47301195145814, - "CG_CD": 1.556188834121, - "CB_CG_CD": 116.331028872463, - "CA_CB_CG": 112.888571301356 + "NE_CZ": 1.33482742269847, + "CZ_NH2": 1.32944079650611, + "CZ_NH1": 1.31866699080155, + "CG_CD_NE": 114.764622082957, + "NE_CZ_NH1": 120.306521370999, + "NH1_CZ_NH2": 118.856469073319, + "CB_CG": 1.53463054654944, + "NE_CZ_NH2": 120.835996335022, + "CD_NE_CZ": 125.510298905028, + "CD_NE": 1.46846201097314, + "CG_CD": 1.5430125753816, + "CB_CG_CD": 113.350044125545, + "CA_CB_CG": 115.601145443539 } }, { "pk": 29, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.32659254300628, - "CZ_NH2": 1.32174790469506, - "CZ_NH1": 1.32403659261102, - "CG_CD_NE": 106.217205033748, - "NE_CZ_NH1": 120.404652939356, - "NH1_CZ_NH2": 119.610735996562, - "CB_CG": 1.54829189854738, - "NE_CZ_NH2": 119.955714593331, - "CD_NE_CZ": 124.634732380413, - "CD_NE": 1.46653443711864, - "CG_CD": 1.52821745189414, - "CB_CG_CD": 116.605623247916, - "CA_CB_CG": 115.591962661141 + "NE_CZ": 1.32854595499578, + "CZ_NH2": 1.31985997180555, + "CZ_NH1": 1.3458083205696, + "CG_CD_NE": 108.857150263277, + "NE_CZ_NH1": 120.541409001349, + "NH1_CZ_NH2": 120.484479811042, + "CB_CG": 1.51395423328695, + "NE_CZ_NH2": 118.973602246639, + "CD_NE_CZ": 124.108664235035, + "CD_NE": 1.45897393460749, + "CG_CD": 1.54578683537871, + "CB_CG_CD": 115.496506231166, + "CA_CB_CG": 113.654282896129 } }, { "pk": 30, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.32303566780906, - "CZ_NH2": 1.34276442618068, - "CZ_NH1": 1.33020788858221, - "CG_CD_NE": 111.835669054244, - "NE_CZ_NH1": 119.069101805395, - "NH1_CZ_NH2": 120.169001887721, - "CB_CG": 1.50100277450071, - "NE_CZ_NH2": 120.754495801559, - "CD_NE_CZ": 124.056629876458, - "CD_NE": 1.4529981822078, - "CG_CD": 1.52267187269577, - "CB_CG_CD": 114.189123910575, - "CA_CB_CG": 112.83038216646 + "NE_CZ": 1.32680653327912, + "CZ_NH2": 1.31330105765212, + "CZ_NH1": 1.33149289259698, + "CG_CD_NE": 113.650810074516, + "NE_CZ_NH1": 121.019225597691, + "NH1_CZ_NH2": 120.01429084899, + "CB_CG": 1.50719406968771, + "NE_CZ_NH2": 118.948112840746, + "CD_NE_CZ": 124.034656336122, + "CD_NE": 1.45746742984792, + "CG_CD": 1.50347291923202, + "CB_CG_CD": 113.506529673567, + "CA_CB_CG": 113.526877633387 } }, { "pk": 31, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.33154833175734, - "CZ_NH2": 1.32718184084252, - "CZ_NH1": 1.32117654559961, - "CG_CD_NE": 110.070195107874, - "NE_CZ_NH1": 120.730383933448, - "NH1_CZ_NH2": 119.682177420916, - "CB_CG": 1.50628705819723, - "NE_CZ_NH2": 119.584180238679, - "CD_NE_CZ": 125.294644118903, - "CD_NE": 1.46283558422567, - "CG_CD": 1.51892515877244, - "CB_CG_CD": 112.664281285434, - "CA_CB_CG": 114.574855899769 + "NE_CZ": 1.3389360160448, + "CZ_NH2": 1.3291795924889, + "CZ_NH1": 1.32817848901039, + "CG_CD_NE": 111.48801840677, + "NE_CZ_NH1": 121.280180148611, + "NH1_CZ_NH2": 118.776576282173, + "CB_CG": 1.52080116553428, + "NE_CZ_NH2": 119.937432668165, + "CD_NE_CZ": 124.364804749109, + "CD_NE": 1.45215404224105, + "CG_CD": 1.53012437233743, + "CB_CG_CD": 114.232836760849, + "CA_CB_CG": 114.164535466249 } }, { "pk": 32, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.31636229580262, - "CZ_NH2": 1.33164426745429, - "CZ_NH1": 1.34536155237789, - "CG_CD_NE": 106.673726110369, - "NE_CZ_NH1": 120.267636124438, - "NH1_CZ_NH2": 120.696396379336, - "CB_CG": 1.54426884516868, - "NE_CZ_NH2": 119.034109792318, - "CD_NE_CZ": 125.072108487765, - "CD_NE": 1.46591590751289, - "CG_CD": 1.49076252436125, - "CB_CG_CD": 119.692022312389, - "CA_CB_CG": 106.420107726326 + "NE_CZ": 1.3283953963608, + "CZ_NH2": 1.33057681045845, + "CZ_NH1": 1.32728900586971, + "CG_CD_NE": 111.054631801798, + "NE_CZ_NH1": 120.372146261473, + "NH1_CZ_NH2": 119.675760074722, + "CB_CG": 1.5203972050734, + "NE_CZ_NH2": 119.950077721501, + "CD_NE_CZ": 124.718203901048, + "CD_NE": 1.46434521715867, + "CG_CD": 1.51336581688225, + "CB_CG_CD": 112.954631223552, + "CA_CB_CG": 114.510225246261 } }, { "pk": 33, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.3226870567406, - "CZ_NH2": 1.32859231832431, - "CZ_NH1": 1.32632736422018, - "CG_CD_NE": 108.470245463664, - "NE_CZ_NH1": 119.900044104823, - "NH1_CZ_NH2": 120.65131614926, - "CB_CG": 1.5372885372675, - "NE_CZ_NH2": 119.441591190114, - "CD_NE_CZ": 124.17264896691, - "CD_NE": 1.43960954186396, - "CG_CD": 1.50208876320126, - "CB_CG_CD": 112.324206507681, - "CA_CB_CG": 113.645417242751 + "NE_CZ": 1.32580696547313, + "CZ_NH2": 1.33345135120681, + "CZ_NH1": 1.33779677943452, + "CG_CD_NE": 109.352644574881, + "NE_CZ_NH1": 120.974925606012, + "NH1_CZ_NH2": 119.882090979167, + "CB_CG": 1.53865674791819, + "NE_CZ_NH2": 119.142907580233, + "CD_NE_CZ": 125.247018510419, + "CD_NE": 1.46632761760662, + "CG_CD": 1.51875477886855, + "CB_CG_CD": 114.389787419216, + "CA_CB_CG": 112.32916419766 } }, { "pk": 34, "model": "pgd_core.sidechain_arg", "fields": { - "NE_CZ": 1.33194456612146, - "CZ_NH2": 1.34805273674825, - "CZ_NH1": 1.3446012348446, - "CG_CD_NE": 115.78502439121, - "NE_CZ_NH1": 120.83730945025, - "NH1_CZ_NH2": 120.354127716617, - "CB_CG": 1.5191372742307, - "NE_CZ_NH2": 118.738555684547, - "CD_NE_CZ": 125.967545289646, - "CD_NE": 1.45900346826078, - "CG_CD": 1.4944615151368, - "CB_CG_CD": 111.782918021407, - "CA_CB_CG": 116.491338979178 + "NE_CZ": 1.32384357524688, + "CZ_NH2": 1.33998024168241, + "CZ_NH1": 1.32129732193287, + "CG_CD_NE": 109.732454810412, + "NE_CZ_NH1": 118.671774913413, + "NH1_CZ_NH2": 120.111939091458, + "CB_CG": 1.53083902481274, + "NE_CZ_NH2": 121.215326044732, + "CD_NE_CZ": 123.2962878724, + "CD_NE": 1.44539670054699, + "CG_CD": 1.52317487747374, + "CB_CG_CD": 112.632753538179, + "CA_CB_CG": 112.875995284795 } }, { "pk": 35, "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32826293680266, - "CZ_NH2": 1.32119667806903, - "CZ_NH1": 1.33896391434668, - "CG_CD_NE": 110.564098483977, - "NE_CZ_NH1": 121.485335440401, - "NH1_CZ_NH2": 119.557484143299, - "CB_CG": 1.537899601612, - "NE_CZ_NH2": 118.952464069928, - "CD_NE_CZ": 125.279597178585, - "CD_NE": 1.46874628228438, - "CG_CD": 1.54678708901311, - "CB_CG_CD": 114.344251736135, - "CA_CB_CG": 110.119161458791 - } -}, -{ - "pk": 36, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32202661936909, - "CZ_NH2": 1.3248811619714, - "CZ_NH1": 1.32874709977952, - "CG_CD_NE": 110.744182856614, - "NE_CZ_NH1": 120.653391069111, - "NH1_CZ_NH2": 119.511727281549, - "CB_CG": 1.52268371514091, - "NE_CZ_NH2": 119.834136051429, - "CD_NE_CZ": 125.443863440419, - "CD_NE": 1.46759293351995, - "CG_CD": 1.53455735356939, - "CB_CG_CD": 111.231010927236, - "CA_CB_CG": 118.014318846321 - } -}, -{ - "pk": 37, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.330265021756, - "CZ_NH2": 1.33629458509848, - "CZ_NH1": 1.31953751463368, - "CG_CD_NE": 111.62187384555, - "NE_CZ_NH1": 120.045458430018, - "NH1_CZ_NH2": 119.605328727571, - "CB_CG": 1.52763853867546, - "NE_CZ_NH2": 120.34902707579, - "CD_NE_CZ": 124.742081308262, - "CD_NE": 1.45473700941499, - "CG_CD": 1.54773407337294, - "CB_CG_CD": 113.162646644381, - "CA_CB_CG": 113.783358552486 - } -}, -{ - "pk": 38, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32889468465391, - "CZ_NH2": 1.32881265128148, - "CZ_NH1": 1.32373261925384, - "CG_CD_NE": 111.848401767714, - "NE_CZ_NH1": 120.308473920852, - "NH1_CZ_NH2": 119.763183564576, - "CB_CG": 1.5274293258351, - "NE_CZ_NH2": 119.924825049738, - "CD_NE_CZ": 124.732152907625, - "CD_NE": 1.45661696022034, - "CG_CD": 1.49297093248249, - "CB_CG_CD": 114.579827341687, - "CA_CB_CG": 112.60812431874 - } -}, -{ - "pk": 39, - "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33065610657631, "CZ_NH2": 1.33009537031277, @@ -927,7 +849,7 @@ } }, { - "pk": 40, + "pk": 36, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33030705117759, @@ -946,7 +868,7 @@ } }, { - "pk": 41, + "pk": 37, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32788628333215, @@ -965,7 +887,7 @@ } }, { - "pk": 42, + "pk": 38, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32902133795449, @@ -984,7 +906,7 @@ } }, { - "pk": 43, + "pk": 39, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33073428386552, @@ -1003,7 +925,7 @@ } }, { - "pk": 44, + "pk": 40, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32921763141478, @@ -1022,102 +944,7 @@ } }, { - "pk": 45, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33551152586184, - "CZ_NH2": 1.33023506160498, - "CZ_NH1": 1.31925581718623, - "CG_CD_NE": 113.72160634365, - "NE_CZ_NH1": 120.717228518359, - "NH1_CZ_NH2": 119.065474311328, - "CB_CG": 1.55655748492373, - "NE_CZ_NH2": 120.216685519665, - "CD_NE_CZ": 124.6594754682, - "CD_NE": 1.46665767772891, - "CG_CD": 1.53810195170787, - "CB_CG_CD": 116.621675736363, - "CA_CB_CG": 111.636286041687 - } -}, -{ - "pk": 46, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32556626406213, - "CZ_NH2": 1.32215476963893, - "CZ_NH1": 1.33554605434161, - "CG_CD_NE": 108.043453495864, - "NE_CZ_NH1": 119.773943039904, - "NH1_CZ_NH2": 120.248500272531, - "CB_CG": 1.49639022965055, - "NE_CZ_NH2": 119.97515946128, - "CD_NE_CZ": 124.064623135414, - "CD_NE": 1.4500774101115, - "CG_CD": 1.51370098990177, - "CB_CG_CD": 115.626849810956, - "CA_CB_CG": 112.931839522669 - } -}, -{ - "pk": 47, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.3263600966184, - "CZ_NH2": 1.33435173231629, - "CZ_NH1": 1.33316245576349, - "CG_CD_NE": 111.147734505022, - "NE_CZ_NH1": 120.753317519847, - "NH1_CZ_NH2": 119.739073497777, - "CB_CG": 1.49922605232193, - "NE_CZ_NH2": 119.506490351969, - "CD_NE_CZ": 124.18057040997, - "CD_NE": 1.46310398352521, - "CG_CD": 1.50405257119143, - "CB_CG_CD": 113.652660213888, - "CA_CB_CG": 114.857085177711 - } -}, -{ - "pk": 48, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32929093498492, - "CZ_NH2": 1.33032300646772, - "CZ_NH1": 1.32897729565844, - "CG_CD_NE": 111.028287451242, - "NE_CZ_NH1": 120.932077413371, - "NH1_CZ_NH2": 119.974210864742, - "CB_CG": 1.53477273194944, - "NE_CZ_NH2": 119.090341704696, - "CD_NE_CZ": 125.615477623567, - "CD_NE": 1.45449131538089, - "CG_CD": 1.52817909162882, - "CB_CG_CD": 113.613858327156, - "CA_CB_CG": 113.198384983328 - } -}, -{ - "pk": 49, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33307125237178, - "CZ_NH2": 1.33402799563842, - "CZ_NH1": 1.32576964893921, - "CG_CD_NE": 109.844173391272, - "NE_CZ_NH1": 119.789887250026, - "NH1_CZ_NH2": 119.832263638657, - "CB_CG": 1.51174403605555, - "NE_CZ_NH2": 120.37783307422, - "CD_NE_CZ": 125.286958423325, - "CD_NE": 1.45799992763104, - "CG_CD": 1.53777912941832, - "CB_CG_CD": 113.4346808713, - "CA_CB_CG": 115.274225834025 - } -}, -{ - "pk": 50, + "pk": 41, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32761499829122, @@ -1136,7 +963,7 @@ } }, { - "pk": 51, + "pk": 42, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3292360416928, @@ -1155,26 +982,7 @@ } }, { - "pk": 52, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.31147291755772, - "CZ_NH2": 1.32253515725976, - "CZ_NH1": 1.33600512050769, - "CG_CD_NE": 106.723239067378, - "NE_CZ_NH1": 121.424057708088, - "NH1_CZ_NH2": 120.829893756873, - "CB_CG": 1.52889630448049, - "NE_CZ_NH2": 117.74287454129, - "CD_NE_CZ": 126.527784224006, - "CD_NE": 1.45020742461231, - "CG_CD": 1.53562476908738, - "CB_CG_CD": 113.75464535188, - "CA_CB_CG": 113.616154944546 - } -}, -{ - "pk": 53, + "pk": 43, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32596600455374, @@ -1193,7 +1001,7 @@ } }, { - "pk": 54, + "pk": 44, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32929628421026, @@ -1212,26 +1020,7 @@ } }, { - "pk": 55, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.31271661000046, - "CZ_NH2": 1.32719274720872, - "CZ_NH1": 1.31805346124682, - "CG_CD_NE": 108.224783833088, - "NE_CZ_NH1": 119.898961403603, - "NH1_CZ_NH2": 120.266037503171, - "CB_CG": 1.52383422451586, - "NE_CZ_NH2": 119.828366487656, - "CD_NE_CZ": 124.196324655681, - "CD_NE": 1.46131507874048, - "CG_CD": 1.53950470985447, - "CB_CG_CD": 116.053179539665, - "CA_CB_CG": 116.002829333445 - } -}, -{ - "pk": 56, + "pk": 45, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3285865064303, @@ -1250,7 +1039,7 @@ } }, { - "pk": 57, + "pk": 46, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32632040177712, @@ -1269,26 +1058,7 @@ } }, { - "pk": 58, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32820200897506, - "CZ_NH2": 1.32978280223747, - "CZ_NH1": 1.33307949684214, - "CG_CD_NE": 112.01585520493, - "NE_CZ_NH1": 119.73534545327, - "NH1_CZ_NH2": 120.52339471391, - "CB_CG": 1.53433491019838, - "NE_CZ_NH2": 119.721929202597, - "CD_NE_CZ": 124.021437906639, - "CD_NE": 1.45722114444134, - "CG_CD": 1.49639853969217, - "CB_CG_CD": 113.826127532945, - "CA_CB_CG": 113.249239678153 - } -}, -{ - "pk": 59, + "pk": 47, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32774952752629, @@ -1307,7 +1077,7 @@ } }, { - "pk": 60, + "pk": 48, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32812661043243, @@ -1326,7 +1096,7 @@ } }, { - "pk": 61, + "pk": 49, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32876878271229, @@ -1345,26 +1115,7 @@ } }, { - "pk": 62, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32695240621403, - "CZ_NH2": 1.34647348380531, - "CZ_NH1": 1.32681398363479, - "CG_CD_NE": 113.035057149362, - "NE_CZ_NH1": 119.58715714973, - "NH1_CZ_NH2": 120.042172322395, - "CB_CG": 1.53639695368358, - "NE_CZ_NH2": 120.370316388072, - "CD_NE_CZ": 124.320630155824, - "CD_NE": 1.45497670266336, - "CG_CD": 1.55496780804944, - "CB_CG_CD": 113.769695878229, - "CA_CB_CG": 111.899913813883 - } -}, -{ - "pk": 63, + "pk": 50, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32987577914322, @@ -1383,7 +1134,7 @@ } }, { - "pk": 64, + "pk": 51, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33043770552633, @@ -1402,7 +1153,7 @@ } }, { - "pk": 65, + "pk": 52, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32742152633384, @@ -1421,7 +1172,7 @@ } }, { - "pk": 66, + "pk": 53, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32933717391927, @@ -1440,26 +1191,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33946187484663, - "CZ_NH2": 1.334049631823, - "CZ_NH1": 1.32591646267967, - "CG_CD_NE": 112.418388206641, - "NE_CZ_NH1": 120.207491028876, - "NH1_CZ_NH2": 119.494712755105, - "CB_CG": 1.53175023769771, - "NE_CZ_NH2": 120.296442123224, - "CD_NE_CZ": 124.320915931594, - "CD_NE": 1.46191365850627, - "CG_CD": 1.52579448876159, - "CB_CG_CD": 114.426294143269, - "CA_CB_CG": 115.90713801243 - } -}, -{ - "pk": 68, + "pk": 54, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32894189489406, @@ -1478,7 +1210,7 @@ } }, { - "pk": 69, + "pk": 55, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32915649257415, @@ -1497,7 +1229,7 @@ } }, { - "pk": 70, + "pk": 56, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33304993695315, @@ -1516,64 +1248,7 @@ } }, { - "pk": 71, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.3403014089655, - "CZ_NH2": 1.33303093557922, - "CZ_NH1": 1.32532744617587, - "CG_CD_NE": 113.878322247315, - "NE_CZ_NH1": 120.063450292287, - "NH1_CZ_NH2": 119.246478065362, - "CB_CG": 1.51144857428897, - "NE_CZ_NH2": 120.625866473417, - "CD_NE_CZ": 124.019099178074, - "CD_NE": 1.471143342146, - "CG_CD": 1.57429510155308, - "CB_CG_CD": 112.173217173032, - "CA_CB_CG": 113.904402834326 - } -}, -{ - "pk": 72, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.31444606182128, - "CZ_NH2": 1.32368941600521, - "CZ_NH1": 1.33746223397052, - "CG_CD_NE": 115.703061846913, - "NE_CZ_NH1": 119.047099798257, - "NH1_CZ_NH2": 119.802485186852, - "CB_CG": 1.47353393823185, - "NE_CZ_NH2": 121.130909727122, - "CD_NE_CZ": 122.109508747898, - "CD_NE": 1.45409118360685, - "CG_CD": 1.49358936156253, - "CB_CG_CD": 111.817046486706, - "CA_CB_CG": 115.085110328707 - } -}, -{ - "pk": 73, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.3287841676529, - "CZ_NH2": 1.32369607330263, - "CZ_NH1": 1.33042187402255, - "CG_CD_NE": 115.777366075962, - "NE_CZ_NH1": 121.195448384176, - "NH1_CZ_NH2": 119.644026721543, - "CB_CG": 1.52641109347826, - "NE_CZ_NH2": 119.135267428227, - "CD_NE_CZ": 124.913505240603, - "CD_NE": 1.44997323149691, - "CG_CD": 1.52193993958023, - "CB_CG_CD": 111.095128210707, - "CA_CB_CG": 115.303915693482 - } -}, -{ - "pk": 74, + "pk": 57, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32968699639538, @@ -1592,7 +1267,7 @@ } }, { - "pk": 75, + "pk": 58, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32897481927473, @@ -1611,26 +1286,7 @@ } }, { - "pk": 76, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32914068810156, - "CZ_NH2": 1.3190545112745, - "CZ_NH1": 1.31160405852499, - "CG_CD_NE": 112.229082892665, - "NE_CZ_NH1": 118.851759396719, - "NH1_CZ_NH2": 118.876273430587, - "CB_CG": 1.53763882367012, - "NE_CZ_NH2": 122.271791390919, - "CD_NE_CZ": 122.307147680269, - "CD_NE": 1.48154755411365, - "CG_CD": 1.52995658630106, - "CB_CG_CD": 116.703368228635, - "CA_CB_CG": 111.990922463174 - } -}, -{ - "pk": 77, + "pk": 59, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33093509152999, @@ -1649,7 +1305,7 @@ } }, { - "pk": 78, + "pk": 60, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32801952581063, @@ -1668,7 +1324,7 @@ } }, { - "pk": 79, + "pk": 61, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32690161980261, @@ -1687,7 +1343,7 @@ } }, { - "pk": 80, + "pk": 62, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33253410417834, @@ -1706,7 +1362,7 @@ } }, { - "pk": 81, + "pk": 63, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32743145285726, @@ -1725,7 +1381,7 @@ } }, { - "pk": 82, + "pk": 64, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32611676050006, @@ -1744,7 +1400,7 @@ } }, { - "pk": 83, + "pk": 65, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33264448059968, @@ -1763,7 +1419,7 @@ } }, { - "pk": 84, + "pk": 66, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.31713309251075, @@ -1782,45 +1438,7 @@ } }, { - "pk": 85, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33026061776766, - "CZ_NH2": 1.33153053714688, - "CZ_NH1": 1.34630730371057, - "CG_CD_NE": 112.756197128507, - "NE_CZ_NH1": 120.469295468359, - "NH1_CZ_NH2": 119.875478192831, - "CB_CG": 1.52548146391532, - "NE_CZ_NH2": 119.642542347743, - "CD_NE_CZ": 124.417336064628, - "CD_NE": 1.46921360336415, - "CG_CD": 1.51314712625992, - "CB_CG_CD": 112.920359820188, - "CA_CB_CG": 114.809184472819 - } -}, -{ - "pk": 86, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.34862070835572, - "CZ_NH2": 1.31475595330082, - "CZ_NH1": 1.36296454485377, - "CG_CD_NE": 110.426597099807, - "NE_CZ_NH1": 121.398681553362, - "NH1_CZ_NH2": 120.517816728069, - "CB_CG": 1.49607721683322, - "NE_CZ_NH2": 118.072786589768, - "CD_NE_CZ": 123.747464865295, - "CD_NE": 1.45814120096957, - "CG_CD": 1.51155317243719, - "CB_CG_CD": 113.822618058051, - "CA_CB_CG": 114.74241044182 - } -}, -{ - "pk": 87, + "pk": 67, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32680118026682, @@ -1839,64 +1457,7 @@ } }, { - "pk": 88, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32210603474272, - "CZ_NH2": 1.3249056860098, - "CZ_NH1": 1.33444316652343, - "CG_CD_NE": 112.284371840845, - "NE_CZ_NH1": 119.816939366041, - "NH1_CZ_NH2": 120.124968568281, - "CB_CG": 1.51821200240349, - "NE_CZ_NH2": 120.057518822339, - "CD_NE_CZ": 123.501669381967, - "CD_NE": 1.46228374382981, - "CG_CD": 1.55399519575294, - "CB_CG_CD": 113.539303841901, - "CA_CB_CG": 115.370491660122 - } -}, -{ - "pk": 89, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.31300218365535, - "CZ_NH2": 1.32161728111134, - "CZ_NH1": 1.34367738642206, - "CG_CD_NE": 111.039078343776, - "NE_CZ_NH1": 120.233580954601, - "NH1_CZ_NH2": 120.766604238838, - "CB_CG": 1.523931619889, - "NE_CZ_NH2": 118.930571335203, - "CD_NE_CZ": 123.836945869534, - "CD_NE": 1.44672207200698, - "CG_CD": 1.46240646491064, - "CB_CG_CD": 115.442068371926, - "CA_CB_CG": 109.241570519707 - } -}, -{ - "pk": 90, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32620572170122, - "CZ_NH2": 1.33561792141542, - "CZ_NH1": 1.32650192678119, - "CG_CD_NE": 111.814687137633, - "NE_CZ_NH1": 119.043332522889, - "NH1_CZ_NH2": 119.899840946941, - "CB_CG": 1.55748051733881, - "NE_CZ_NH2": 121.053251726953, - "CD_NE_CZ": 123.953269016731, - "CD_NE": 1.47727161237209, - "CG_CD": 1.56949232161992, - "CB_CG_CD": 112.136746933679, - "CA_CB_CG": 114.626890702255 - } -}, -{ - "pk": 91, + "pk": 68, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33311158030595, @@ -1915,7 +1476,7 @@ } }, { - "pk": 92, + "pk": 69, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33207073078436, @@ -1934,26 +1495,7 @@ } }, { - "pk": 93, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32070811297849, - "CZ_NH2": 1.32887823569255, - "CZ_NH1": 1.32394076315706, - "CG_CD_NE": 112.068414820884, - "NE_CZ_NH1": 120.034000551377, - "NH1_CZ_NH2": 120.049406560959, - "CB_CG": 1.54120339258926, - "NE_CZ_NH2": 119.916533037504, - "CD_NE_CZ": 124.173376586682, - "CD_NE": 1.45434867217802, - "CG_CD": 1.52148540021634, - "CB_CG_CD": 112.899419142641, - "CA_CB_CG": 110.783500828463 - } -}, -{ - "pk": 94, + "pk": 70, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32853320565921, @@ -1972,26 +1514,7 @@ } }, { - "pk": 95, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33153773987381, - "CZ_NH2": 1.32178787649739, - "CZ_NH1": 1.33006466426595, - "CG_CD_NE": 110.623363734506, - "NE_CZ_NH1": 120.744153862036, - "NH1_CZ_NH2": 119.689364400802, - "CB_CG": 1.53940795895808, - "NE_CZ_NH2": 119.565098486821, - "CD_NE_CZ": 124.458762081995, - "CD_NE": 1.45577617806603, - "CG_CD": 1.50977016000004, - "CB_CG_CD": 112.509071420185, - "CA_CB_CG": 115.955483316327 - } -}, -{ - "pk": 96, + "pk": 71, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32717786252641, @@ -2010,64 +1533,7 @@ } }, { - "pk": 97, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.34127027065573, - "CZ_NH2": 1.32855212162999, - "CZ_NH1": 1.32902821510447, - "CG_CD_NE": 114.7652522071, - "NE_CZ_NH1": 120.32082741482, - "NH1_CZ_NH2": 119.034868253301, - "CB_CG": 1.53581542449169, - "NE_CZ_NH2": 120.641664288383, - "CD_NE_CZ": 124.173041700951, - "CD_NE": 1.47305689149015, - "CG_CD": 1.55720473030285, - "CB_CG_CD": 114.017757307904, - "CA_CB_CG": 116.071817322289 - } -}, -{ - "pk": 98, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32079504466551, - "CZ_NH2": 1.32034350194456, - "CZ_NH1": 1.3418469588034, - "CG_CD_NE": 108.946448194996, - "NE_CZ_NH1": 120.178661523957, - "NH1_CZ_NH2": 120.826029121969, - "CB_CG": 1.51031741089375, - "NE_CZ_NH2": 118.943411059203, - "CD_NE_CZ": 123.00125903883, - "CD_NE": 1.46512820613662, - "CG_CD": 1.53160377166325, - "CB_CG_CD": 113.930626661558, - "CA_CB_CG": 114.087084295313 - } -}, -{ - "pk": 99, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.3342115795489, - "CZ_NH2": 1.31554566468634, - "CZ_NH1": 1.33764833238594, - "CG_CD_NE": 113.993765450906, - "NE_CZ_NH1": 121.441912602543, - "NH1_CZ_NH2": 118.83487749026, - "CB_CG": 1.54210525896904, - "NE_CZ_NH2": 119.702060313264, - "CD_NE_CZ": 124.291881156913, - "CD_NE": 1.47501480172227, - "CG_CD": 1.50878668254397, - "CB_CG_CD": 114.201287720874, - "CA_CB_CG": 115.885056486638 - } -}, -{ - "pk": 100, + "pk": 72, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3315284226455, @@ -2086,64 +1552,7 @@ } }, { - "pk": 101, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32638268842915, - "CZ_NH2": 1.33137671782398, - "CZ_NH1": 1.33239582861008, - "CG_CD_NE": 111.233551783002, - "NE_CZ_NH1": 120.480160295341, - "NH1_CZ_NH2": 119.510952694699, - "CB_CG": 1.51706734965934, - "NE_CZ_NH2": 120.008877435506, - "CD_NE_CZ": 124.43675892319, - "CD_NE": 1.46281302920977, - "CG_CD": 1.52255021747526, - "CB_CG_CD": 113.82394983379, - "CA_CB_CG": 113.153659725522 - } -}, -{ - "pk": 102, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32938831509278, - "CZ_NH2": 1.32495337379965, - "CZ_NH1": 1.32973862856563, - "CG_CD_NE": 114.852324524238, - "NE_CZ_NH1": 119.458262037927, - "NH1_CZ_NH2": 119.594467212419, - "CB_CG": 1.52364763477684, - "NE_CZ_NH2": 120.94603035673, - "CD_NE_CZ": 123.302678118691, - "CD_NE": 1.46791401122991, - "CG_CD": 1.5362894049352, - "CB_CG_CD": 116.384686475851, - "CA_CB_CG": 115.627774580593 - } -}, -{ - "pk": 103, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33104987870579, - "CZ_NH2": 1.33249036743401, - "CZ_NH1": 1.33246569142339, - "CG_CD_NE": 113.423341061512, - "NE_CZ_NH1": 120.746920283502, - "NH1_CZ_NH2": 119.478968469962, - "CB_CG": 1.52915994401647, - "NE_CZ_NH2": 119.773760610182, - "CD_NE_CZ": 125.00149365608, - "CD_NE": 1.46177766450809, - "CG_CD": 1.53906718999377, - "CB_CG_CD": 115.150563991146, - "CA_CB_CG": 113.088495854137 - } -}, -{ - "pk": 104, + "pk": 73, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32957915256438, @@ -2162,7 +1571,7 @@ } }, { - "pk": 105, + "pk": 74, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3290022214719, @@ -2181,7 +1590,7 @@ } }, { - "pk": 106, + "pk": 75, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32846641209582, @@ -2200,7 +1609,7 @@ } }, { - "pk": 107, + "pk": 76, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32896124477938, @@ -2219,7 +1628,7 @@ } }, { - "pk": 108, + "pk": 77, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33586331931195, @@ -2238,7 +1647,7 @@ } }, { - "pk": 109, + "pk": 78, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.31752264124314, @@ -2257,45 +1666,7 @@ } }, { - "pk": 110, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32701101775583, - "CZ_NH2": 1.34450781322642, - "CZ_NH1": 1.32746727640253, - "CG_CD_NE": 112.337241455145, - "NE_CZ_NH1": 118.314330382639, - "NH1_CZ_NH2": 120.417082049441, - "CB_CG": 1.51356096008963, - "NE_CZ_NH2": 121.26858756271, - "CD_NE_CZ": 122.439336332816, - "CD_NE": 1.45767118241992, - "CG_CD": 1.50616046611997, - "CB_CG_CD": 112.959837788103, - "CA_CB_CG": 114.659280015968 - } -}, -{ - "pk": 111, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.31020624757002, - "CZ_NH2": 1.33409224863455, - "CZ_NH1": 1.3484073173971, - "CG_CD_NE": 110.296464653235, - "NE_CZ_NH1": 119.363158206137, - "NH1_CZ_NH2": 121.096510733979, - "CB_CG": 1.53847948933493, - "NE_CZ_NH2": 119.533014023542, - "CD_NE_CZ": 123.651419937896, - "CD_NE": 1.4555298405469, - "CG_CD": 1.51737388865348, - "CB_CG_CD": 114.450372619741, - "CA_CB_CG": 109.744888680486 - } -}, -{ - "pk": 112, + "pk": 79, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32786035275314, @@ -2314,26 +1685,7 @@ } }, { - "pk": 113, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32734149002393, - "CZ_NH2": 1.31724106732679, - "CZ_NH1": 1.33321751221454, - "CG_CD_NE": 113.777210064804, - "NE_CZ_NH1": 120.371928739092, - "NH1_CZ_NH2": 119.819617942074, - "CB_CG": 1.51257799942301, - "NE_CZ_NH2": 119.808388382073, - "CD_NE_CZ": 123.831443964493, - "CD_NE": 1.46016432900259, - "CG_CD": 1.52142034384187, - "CB_CG_CD": 113.001026278844, - "CA_CB_CG": 114.016480447698 - } -}, -{ - "pk": 114, + "pk": 80, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32890728176901, @@ -2352,45 +1704,7 @@ } }, { - "pk": 115, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.33482742269847, - "CZ_NH2": 1.32944079650611, - "CZ_NH1": 1.31866699080155, - "CG_CD_NE": 114.764622082957, - "NE_CZ_NH1": 120.306521370999, - "NH1_CZ_NH2": 118.856469073319, - "CB_CG": 1.53463054654944, - "NE_CZ_NH2": 120.835996335022, - "CD_NE_CZ": 125.510298905028, - "CD_NE": 1.46846201097314, - "CG_CD": 1.5430125753816, - "CB_CG_CD": 113.350044125545, - "CA_CB_CG": 115.601145443539 - } -}, -{ - "pk": 116, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32854595499578, - "CZ_NH2": 1.31985997180555, - "CZ_NH1": 1.3458083205696, - "CG_CD_NE": 108.857150263277, - "NE_CZ_NH1": 120.541409001349, - "NH1_CZ_NH2": 120.484479811042, - "CB_CG": 1.51395423328695, - "NE_CZ_NH2": 118.973602246639, - "CD_NE_CZ": 124.108664235035, - "CD_NE": 1.45897393460749, - "CG_CD": 1.54578683537871, - "CB_CG_CD": 115.496506231166, - "CA_CB_CG": 113.654282896129 - } -}, -{ - "pk": 117, + "pk": 81, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33172869972168, @@ -2409,7 +1723,7 @@ } }, { - "pk": 118, + "pk": 82, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33182659981139, @@ -2428,7 +1742,7 @@ } }, { - "pk": 119, + "pk": 83, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3195908489767, @@ -2447,64 +1761,7 @@ } }, { - "pk": 120, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32680653327912, - "CZ_NH2": 1.31330105765212, - "CZ_NH1": 1.33149289259698, - "CG_CD_NE": 113.650810074516, - "NE_CZ_NH1": 121.019225597691, - "NH1_CZ_NH2": 120.01429084899, - "CB_CG": 1.50719406968771, - "NE_CZ_NH2": 118.948112840746, - "CD_NE_CZ": 124.034656336122, - "CD_NE": 1.45746742984792, - "CG_CD": 1.50347291923202, - "CB_CG_CD": 113.506529673567, - "CA_CB_CG": 113.526877633387 - } -}, -{ - "pk": 121, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.3389360160448, - "CZ_NH2": 1.3291795924889, - "CZ_NH1": 1.32817848901039, - "CG_CD_NE": 111.48801840677, - "NE_CZ_NH1": 121.280180148611, - "NH1_CZ_NH2": 118.776576282173, - "CB_CG": 1.52080116553428, - "NE_CZ_NH2": 119.937432668165, - "CD_NE_CZ": 124.364804749109, - "CD_NE": 1.45215404224105, - "CG_CD": 1.53012437233743, - "CB_CG_CD": 114.232836760849, - "CA_CB_CG": 114.164535466249 - } -}, -{ - "pk": 122, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.3283953963608, - "CZ_NH2": 1.33057681045845, - "CZ_NH1": 1.32728900586971, - "CG_CD_NE": 111.054631801798, - "NE_CZ_NH1": 120.372146261473, - "NH1_CZ_NH2": 119.675760074722, - "CB_CG": 1.5203972050734, - "NE_CZ_NH2": 119.950077721501, - "CD_NE_CZ": 124.718203901048, - "CD_NE": 1.46434521715867, - "CG_CD": 1.51336581688225, - "CB_CG_CD": 112.954631223552, - "CA_CB_CG": 114.510225246261 - } -}, -{ - "pk": 123, + "pk": 84, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32587426425391, @@ -2523,7 +1780,7 @@ } }, { - "pk": 124, + "pk": 85, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32991103892233, @@ -2542,45 +1799,7 @@ } }, { - "pk": 125, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32580696547313, - "CZ_NH2": 1.33345135120681, - "CZ_NH1": 1.33779677943452, - "CG_CD_NE": 109.352644574881, - "NE_CZ_NH1": 120.974925606012, - "NH1_CZ_NH2": 119.882090979167, - "CB_CG": 1.53865674791819, - "NE_CZ_NH2": 119.142907580233, - "CD_NE_CZ": 125.247018510419, - "CD_NE": 1.46632761760662, - "CG_CD": 1.51875477886855, - "CB_CG_CD": 114.389787419216, - "CA_CB_CG": 112.32916419766 - } -}, -{ - "pk": 126, - "model": "pgd_core.sidechain_arg", - "fields": { - "NE_CZ": 1.32384357524688, - "CZ_NH2": 1.33998024168241, - "CZ_NH1": 1.32129732193287, - "CG_CD_NE": 109.732454810412, - "NE_CZ_NH1": 118.671774913413, - "NH1_CZ_NH2": 120.111939091458, - "CB_CG": 1.53083902481274, - "NE_CZ_NH2": 121.215326044732, - "CD_NE_CZ": 123.2962878724, - "CD_NE": 1.44539670054699, - "CG_CD": 1.52317487747374, - "CB_CG_CD": 112.632753538179, - "CA_CB_CG": 112.875995284795 - } -}, -{ - "pk": 127, + "pk": 86, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32563134254223, @@ -2599,7 +1818,7 @@ } }, { - "pk": 128, + "pk": 87, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32836294455381, @@ -2618,7 +1837,7 @@ } }, { - "pk": 129, + "pk": 88, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33019035810849, @@ -2637,7 +1856,7 @@ } }, { - "pk": 130, + "pk": 89, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33071893111457, @@ -2656,7 +1875,7 @@ } }, { - "pk": 131, + "pk": 90, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32791628360094, @@ -2675,7 +1894,7 @@ } }, { - "pk": 132, + "pk": 91, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33151895028768, @@ -2694,7 +1913,7 @@ } }, { - "pk": 133, + "pk": 92, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32725585013097, @@ -2713,7 +1932,7 @@ } }, { - "pk": 134, + "pk": 93, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33150734979357, @@ -2732,7 +1951,7 @@ } }, { - "pk": 135, + "pk": 94, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32925210797105, @@ -2751,7 +1970,7 @@ } }, { - "pk": 136, + "pk": 95, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32535009988515, @@ -2770,7 +1989,7 @@ } }, { - "pk": 137, + "pk": 96, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33049229520484, @@ -2789,7 +2008,7 @@ } }, { - "pk": 138, + "pk": 97, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33272901849161, @@ -2808,7 +2027,7 @@ } }, { - "pk": 139, + "pk": 98, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33426037663206, @@ -2827,7 +2046,7 @@ } }, { - "pk": 140, + "pk": 99, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32984176034008, @@ -2846,7 +2065,7 @@ } }, { - "pk": 141, + "pk": 100, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3291488560884, @@ -2865,7 +2084,7 @@ } }, { - "pk": 142, + "pk": 101, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32768894926295, @@ -2884,7 +2103,7 @@ } }, { - "pk": 143, + "pk": 102, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33345774087788, @@ -2903,7 +2122,7 @@ } }, { - "pk": 144, + "pk": 103, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32764395171777, @@ -2922,7 +2141,7 @@ } }, { - "pk": 145, + "pk": 104, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32657117895922, @@ -2941,7 +2160,7 @@ } }, { - "pk": 146, + "pk": 105, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32749652894578, @@ -2960,7 +2179,7 @@ } }, { - "pk": 147, + "pk": 106, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33070815763992, @@ -2979,7 +2198,7 @@ } }, { - "pk": 148, + "pk": 107, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33380660358669, @@ -2998,7 +2217,7 @@ } }, { - "pk": 149, + "pk": 108, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32616830163528, @@ -3017,7 +2236,7 @@ } }, { - "pk": 150, + "pk": 109, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32729046347626, @@ -3036,7 +2255,7 @@ } }, { - "pk": 151, + "pk": 110, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32955882141961, @@ -3055,7 +2274,7 @@ } }, { - "pk": 152, + "pk": 111, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32749444087313, @@ -3074,7 +2293,7 @@ } }, { - "pk": 153, + "pk": 112, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3307333076041, @@ -3093,7 +2312,7 @@ } }, { - "pk": 154, + "pk": 113, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32792087496238, @@ -3112,7 +2331,7 @@ } }, { - "pk": 155, + "pk": 114, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33088475621352, @@ -3131,7 +2350,7 @@ } }, { - "pk": 156, + "pk": 115, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33317571039939, @@ -3150,7 +2369,7 @@ } }, { - "pk": 157, + "pk": 116, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33138715588753, @@ -3169,7 +2388,7 @@ } }, { - "pk": 158, + "pk": 117, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32886152406862, @@ -3188,7 +2407,7 @@ } }, { - "pk": 159, + "pk": 118, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32580523009475, @@ -3207,7 +2426,7 @@ } }, { - "pk": 160, + "pk": 119, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32762651086319, @@ -3226,7 +2445,7 @@ } }, { - "pk": 161, + "pk": 120, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33581434622383, @@ -3245,7 +2464,7 @@ } }, { - "pk": 162, + "pk": 121, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32503941835782, @@ -3264,7 +2483,7 @@ } }, { - "pk": 163, + "pk": 122, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32767584208209, @@ -3283,7 +2502,7 @@ } }, { - "pk": 164, + "pk": 123, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32653877456659, @@ -3302,7 +2521,7 @@ } }, { - "pk": 165, + "pk": 124, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33105666647769, @@ -3321,7 +2540,7 @@ } }, { - "pk": 166, + "pk": 125, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33333924709791, @@ -3340,7 +2559,7 @@ } }, { - "pk": 167, + "pk": 126, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32912996303929, @@ -3359,7 +2578,7 @@ } }, { - "pk": 168, + "pk": 127, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32865601652484, @@ -3378,7 +2597,7 @@ } }, { - "pk": 169, + "pk": 128, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32725400730668, @@ -3397,7 +2616,7 @@ } }, { - "pk": 170, + "pk": 129, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32936833016098, @@ -3416,7 +2635,7 @@ } }, { - "pk": 171, + "pk": 130, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32482203865002, @@ -3435,7 +2654,7 @@ } }, { - "pk": 172, + "pk": 131, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33146464246536, @@ -3454,7 +2673,7 @@ } }, { - "pk": 173, + "pk": 132, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33147240783325, @@ -3473,7 +2692,7 @@ } }, { - "pk": 174, + "pk": 133, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32835542577301, @@ -3492,7 +2711,7 @@ } }, { - "pk": 175, + "pk": 134, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32968364639742, @@ -3511,7 +2730,7 @@ } }, { - "pk": 176, + "pk": 135, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32496560203479, @@ -3530,7 +2749,7 @@ } }, { - "pk": 177, + "pk": 136, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3266617434205, @@ -3549,7 +2768,7 @@ } }, { - "pk": 178, + "pk": 137, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32834394901596, @@ -3568,7 +2787,7 @@ } }, { - "pk": 179, + "pk": 138, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32397399691531, @@ -3587,7 +2806,7 @@ } }, { - "pk": 180, + "pk": 139, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33048149181479, @@ -3606,7 +2825,7 @@ } }, { - "pk": 181, + "pk": 140, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33002709410835, @@ -3625,7 +2844,7 @@ } }, { - "pk": 182, + "pk": 141, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32842708314451, @@ -3644,7 +2863,7 @@ } }, { - "pk": 183, + "pk": 142, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32286648577167, @@ -3663,7 +2882,7 @@ } }, { - "pk": 184, + "pk": 143, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32876149998745, @@ -3682,7 +2901,7 @@ } }, { - "pk": 185, + "pk": 144, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3353372085647, @@ -3701,7 +2920,7 @@ } }, { - "pk": 186, + "pk": 145, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32822287372905, @@ -3720,7 +2939,7 @@ } }, { - "pk": 187, + "pk": 146, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33067006068444, @@ -3739,7 +2958,7 @@ } }, { - "pk": 188, + "pk": 147, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33510710974291, @@ -3758,7 +2977,7 @@ } }, { - "pk": 189, + "pk": 148, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32390723131418, @@ -3777,7 +2996,7 @@ } }, { - "pk": 190, + "pk": 149, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32685385631638, @@ -3796,7 +3015,7 @@ } }, { - "pk": 191, + "pk": 150, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32505030471734, @@ -3815,7 +3034,7 @@ } }, { - "pk": 192, + "pk": 151, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32867597436032, @@ -3834,7 +3053,7 @@ } }, { - "pk": 193, + "pk": 152, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32926933826306, @@ -3853,7 +3072,7 @@ } }, { - "pk": 194, + "pk": 153, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33104893548937, @@ -3872,7 +3091,7 @@ } }, { - "pk": 195, + "pk": 154, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32761643680248, @@ -3891,7 +3110,7 @@ } }, { - "pk": 196, + "pk": 155, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33148087359926, @@ -3910,7 +3129,7 @@ } }, { - "pk": 197, + "pk": 156, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32926180022389, @@ -3929,7 +3148,7 @@ } }, { - "pk": 198, + "pk": 157, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32691814200012, @@ -3948,7 +3167,7 @@ } }, { - "pk": 199, + "pk": 158, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33004781020901, @@ -3967,7 +3186,7 @@ } }, { - "pk": 200, + "pk": 159, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33073231247598, @@ -3986,7 +3205,7 @@ } }, { - "pk": 201, + "pk": 160, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33259623737113, @@ -4005,7 +3224,7 @@ } }, { - "pk": 202, + "pk": 161, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32951192768427, @@ -4024,7 +3243,7 @@ } }, { - "pk": 203, + "pk": 162, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32543123018916, @@ -4043,7 +3262,7 @@ } }, { - "pk": 204, + "pk": 163, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32904384475211, @@ -4062,7 +3281,7 @@ } }, { - "pk": 205, + "pk": 164, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33339475808043, @@ -4081,7 +3300,7 @@ } }, { - "pk": 206, + "pk": 165, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32621912951629, @@ -4100,7 +3319,7 @@ } }, { - "pk": 207, + "pk": 166, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32849630379768, @@ -4119,7 +3338,7 @@ } }, { - "pk": 208, + "pk": 167, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32857157920169, @@ -4138,7 +3357,7 @@ } }, { - "pk": 209, + "pk": 168, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3219878889445, @@ -4157,7 +3376,7 @@ } }, { - "pk": 210, + "pk": 169, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32396423769513, @@ -4176,7 +3395,7 @@ } }, { - "pk": 211, + "pk": 170, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32697171836803, @@ -4195,7 +3414,7 @@ } }, { - "pk": 212, + "pk": 171, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32892371796501, @@ -4214,7 +3433,7 @@ } }, { - "pk": 213, + "pk": 172, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32948193402272, @@ -4233,7 +3452,7 @@ } }, { - "pk": 214, + "pk": 173, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32842239364876, @@ -4252,7 +3471,7 @@ } }, { - "pk": 215, + "pk": 174, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32865097550259, @@ -4271,7 +3490,7 @@ } }, { - "pk": 216, + "pk": 175, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32810291148131, @@ -4290,7 +3509,7 @@ } }, { - "pk": 217, + "pk": 176, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33021848941628, @@ -4309,7 +3528,7 @@ } }, { - "pk": 218, + "pk": 177, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32556112078533, @@ -4328,7 +3547,7 @@ } }, { - "pk": 219, + "pk": 178, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33264556674781, @@ -4347,7 +3566,7 @@ } }, { - "pk": 220, + "pk": 179, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32584558276035, @@ -4366,7 +3585,7 @@ } }, { - "pk": 221, + "pk": 180, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32848888461815, @@ -4385,7 +3604,7 @@ } }, { - "pk": 222, + "pk": 181, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32889897214016, @@ -4404,7 +3623,7 @@ } }, { - "pk": 223, + "pk": 182, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33208579408265, @@ -4423,7 +3642,7 @@ } }, { - "pk": 224, + "pk": 183, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33184661667821, @@ -4442,7 +3661,7 @@ } }, { - "pk": 225, + "pk": 184, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32714884471611, @@ -4461,7 +3680,7 @@ } }, { - "pk": 226, + "pk": 185, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32558550452695, @@ -4480,7 +3699,7 @@ } }, { - "pk": 227, + "pk": 186, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33004243213729, @@ -4499,7 +3718,7 @@ } }, { - "pk": 228, + "pk": 187, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3305379436518, @@ -4518,7 +3737,7 @@ } }, { - "pk": 229, + "pk": 188, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33031505828928, @@ -4537,7 +3756,7 @@ } }, { - "pk": 230, + "pk": 189, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32882004239829, @@ -4556,7 +3775,7 @@ } }, { - "pk": 231, + "pk": 190, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32357285734823, @@ -4575,7 +3794,7 @@ } }, { - "pk": 232, + "pk": 191, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32873199773605, @@ -4594,7 +3813,7 @@ } }, { - "pk": 233, + "pk": 192, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33091975212724, @@ -4613,7 +3832,7 @@ } }, { - "pk": 234, + "pk": 193, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3300157026968, @@ -4632,7 +3851,7 @@ } }, { - "pk": 235, + "pk": 194, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33126723112891, @@ -4651,7 +3870,7 @@ } }, { - "pk": 236, + "pk": 195, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32943379430585, @@ -4670,7 +3889,7 @@ } }, { - "pk": 237, + "pk": 196, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32931563466087, @@ -4689,7 +3908,7 @@ } }, { - "pk": 238, + "pk": 197, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33017470638388, @@ -4708,7 +3927,7 @@ } }, { - "pk": 239, + "pk": 198, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32326997691707, @@ -4727,7 +3946,7 @@ } }, { - "pk": 240, + "pk": 199, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33064450328022, @@ -4746,7 +3965,7 @@ } }, { - "pk": 241, + "pk": 200, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33001371099928, @@ -4765,7 +3984,7 @@ } }, { - "pk": 242, + "pk": 201, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32589861006895, @@ -4784,7 +4003,7 @@ } }, { - "pk": 243, + "pk": 202, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32685796117665, @@ -4803,7 +4022,7 @@ } }, { - "pk": 244, + "pk": 203, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3347337256455, @@ -4822,7 +4041,7 @@ } }, { - "pk": 245, + "pk": 204, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33066652303858, @@ -4841,7 +4060,7 @@ } }, { - "pk": 246, + "pk": 205, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32758716460955, @@ -4860,7 +4079,7 @@ } }, { - "pk": 247, + "pk": 206, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32473360148073, @@ -4879,7 +4098,7 @@ } }, { - "pk": 248, + "pk": 207, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32962415611345, @@ -4898,7 +4117,7 @@ } }, { - "pk": 249, + "pk": 208, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32474910404381, @@ -4917,7 +4136,7 @@ } }, { - "pk": 250, + "pk": 209, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32794579577102, @@ -4936,7 +4155,7 @@ } }, { - "pk": 251, + "pk": 210, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32745574919303, @@ -4955,7 +4174,7 @@ } }, { - "pk": 252, + "pk": 211, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33277195244148, @@ -4974,7 +4193,7 @@ } }, { - "pk": 253, + "pk": 212, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32865496015862, @@ -4993,7 +4212,7 @@ } }, { - "pk": 254, + "pk": 213, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33167135247516, @@ -5012,7 +4231,7 @@ } }, { - "pk": 255, + "pk": 214, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33380490905632, @@ -5031,7 +4250,7 @@ } }, { - "pk": 256, + "pk": 215, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32828182222523, @@ -5050,7 +4269,7 @@ } }, { - "pk": 257, + "pk": 216, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32822712635879, @@ -5069,7 +4288,7 @@ } }, { - "pk": 258, + "pk": 217, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33018603330588, @@ -5088,7 +4307,7 @@ } }, { - "pk": 259, + "pk": 218, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32885896868745, @@ -5107,7 +4326,7 @@ } }, { - "pk": 260, + "pk": 219, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32641052538186, @@ -5126,7 +4345,7 @@ } }, { - "pk": 261, + "pk": 220, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32884004077643, @@ -5145,7 +4364,7 @@ } }, { - "pk": 262, + "pk": 221, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32749220090829, @@ -5164,7 +4383,7 @@ } }, { - "pk": 263, + "pk": 222, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32850796297525, @@ -5183,7 +4402,7 @@ } }, { - "pk": 264, + "pk": 223, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.3284722851436, @@ -5202,7 +4421,7 @@ } }, { - "pk": 265, + "pk": 224, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32790561791117, @@ -5221,7 +4440,7 @@ } }, { - "pk": 266, + "pk": 225, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32925541620325, @@ -5240,7 +4459,7 @@ } }, { - "pk": 267, + "pk": 226, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32981843781402, @@ -5259,7 +4478,7 @@ } }, { - "pk": 268, + "pk": 227, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32846959124283, @@ -5278,7 +4497,7 @@ } }, { - "pk": 269, + "pk": 228, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32753872161044, @@ -5297,7 +4516,7 @@ } }, { - "pk": 270, + "pk": 229, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32674296416549, @@ -5316,7 +4535,7 @@ } }, { - "pk": 271, + "pk": 230, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32484732657227, @@ -5335,7 +4554,7 @@ } }, { - "pk": 272, + "pk": 231, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32815837031491, @@ -5354,7 +4573,7 @@ } }, { - "pk": 273, + "pk": 232, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32827592233381, @@ -5373,7 +4592,7 @@ } }, { - "pk": 274, + "pk": 233, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32820652528325, @@ -5392,7 +4611,7 @@ } }, { - "pk": 275, + "pk": 234, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32818172126719, @@ -5411,7 +4630,7 @@ } }, { - "pk": 276, + "pk": 235, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33033992202624, @@ -5430,7 +4649,7 @@ } }, { - "pk": 277, + "pk": 236, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32676977171026, @@ -5449,7 +4668,7 @@ } }, { - "pk": 278, + "pk": 237, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32916356010846, @@ -5468,7 +4687,7 @@ } }, { - "pk": 279, + "pk": 238, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.33097198017221, @@ -5487,7 +4706,7 @@ } }, { - "pk": 280, + "pk": 239, "model": "pgd_core.sidechain_arg", "fields": { "NE_CZ": 1.32932208809137, @@ -5521,6 +4740,19 @@ { "pk": 2, "model": "pgd_core.sidechain_asn", + "fields": { + "CB_CG_OD1": 120.123329001332, + "OD1_CG_ND2": 122.826443521434, + "CB_CG": 1.50111858805785, + "CG_OD1": 1.23590519102794, + "CB_CG_ND2": 117.011563964339, + "CG_ND2": 1.32869035698505, + "CA_CB_CG": 111.159257557748 + } +}, +{ + "pk": 3, + "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 118.402332138467, "OD1_CG_ND2": 127.947815851473, @@ -5532,7 +4764,20 @@ } }, { - "pk": 3, + "pk": 4, + "model": "pgd_core.sidechain_asn", + "fields": { + "CB_CG_OD1": 119.911143522011, + "OD1_CG_ND2": 122.554827021942, + "CB_CG": 1.49217642919774, + "CG_OD1": 1.22109196992951, + "CB_CG_ND2": 117.511523604998, + "CG_ND2": 1.32424287737634, + "CA_CB_CG": 111.613609380969 + } +}, +{ + "pk": 5, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 122.256212680491, @@ -5545,7 +4790,7 @@ } }, { - "pk": 4, + "pk": 6, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 119.363972481101, @@ -5558,7 +4803,7 @@ } }, { - "pk": 5, + "pk": 7, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.936672222211, @@ -5571,20 +4816,7 @@ } }, { - "pk": 6, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.123329001332, - "OD1_CG_ND2": 122.826443521434, - "CB_CG": 1.50111858805785, - "CG_OD1": 1.23590519102794, - "CB_CG_ND2": 117.011563964339, - "CG_ND2": 1.32869035698505, - "CA_CB_CG": 111.159257557748 - } -}, -{ - "pk": 7, + "pk": 8, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.596392998886, @@ -5596,19 +4828,6 @@ "CA_CB_CG": 113.433878592935 } }, -{ - "pk": 8, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 119.911143522011, - "OD1_CG_ND2": 122.554827021942, - "CB_CG": 1.49217642919774, - "CG_OD1": 1.22109196992951, - "CB_CG_ND2": 117.511523604998, - "CG_ND2": 1.32424287737634, - "CA_CB_CG": 111.613609380969 - } -}, { "pk": 9, "model": "pgd_core.sidechain_asn", @@ -5717,200 +4936,109 @@ "pk": 17, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 120.72669131728, - "OD1_CG_ND2": 122.584411278131, - "CB_CG": 1.51514365402442, - "CG_OD1": 1.23172725504673, - "CB_CG_ND2": 116.686833763316, - "CG_ND2": 1.31860287276017, - "CA_CB_CG": 112.20731419952 + "CB_CG_OD1": 121.519378544282, + "OD1_CG_ND2": 122.368344946417, + "CB_CG": 1.5242744969159, + "CG_OD1": 1.22559907128881, + "CB_CG_ND2": 116.090357179194, + "CG_ND2": 1.32712085114669, + "CA_CB_CG": 113.547149215467 } }, { "pk": 18, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 120.427750928555, - "OD1_CG_ND2": 122.791780822576, - "CB_CG": 1.52304087184738, - "CG_OD1": 1.22256011470901, - "CB_CG_ND2": 116.74882042364, - "CG_ND2": 1.34063114439107, - "CA_CB_CG": 112.864701116387 + "CB_CG_OD1": 120.609707460258, + "OD1_CG_ND2": 122.933109788496, + "CB_CG": 1.50631552907903, + "CG_OD1": 1.24482314560509, + "CB_CG_ND2": 116.365824603447, + "CG_ND2": 1.32556336101534, + "CA_CB_CG": 111.681839130595 } }, { "pk": 19, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 121.12066484344, - "OD1_CG_ND2": 122.401091374192, - "CB_CG": 1.51372699470784, - "CG_OD1": 1.23135482676534, - "CB_CG_ND2": 116.475827905073, - "CG_ND2": 1.33353650709639, - "CA_CB_CG": 113.057836311385 + "CB_CG_OD1": 120.539938198813, + "OD1_CG_ND2": 122.704741731307, + "CB_CG": 1.52609994249855, + "CG_OD1": 1.23947317143023, + "CB_CG_ND2": 116.755275173674, + "CG_ND2": 1.33742451114082, + "CA_CB_CG": 112.320351166001 } }, { "pk": 20, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 120.654205673955, - "OD1_CG_ND2": 123.021321139986, - "CB_CG": 1.50599324188647, - "CG_OD1": 1.23275770847861, - "CB_CG_ND2": 116.309822055067, - "CG_ND2": 1.34302268843487, - "CA_CB_CG": 113.161579899005 + "CB_CG_OD1": 120.36647552871, + "OD1_CG_ND2": 122.760986319167, + "CB_CG": 1.5149760537728, + "CG_OD1": 1.22342661937427, + "CB_CG_ND2": 116.838051530812, + "CG_ND2": 1.33920960529446, + "CA_CB_CG": 112.8451068375 } }, { "pk": 21, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 120.299559412899, - "OD1_CG_ND2": 122.645539674065, - "CB_CG": 1.52470586748848, - "CG_OD1": 1.22168863184013, - "CB_CG_ND2": 117.054699067684, - "CG_ND2": 1.33197573562965, - "CA_CB_CG": 112.619800297044 + "CB_CG_OD1": 120.569711084, + "OD1_CG_ND2": 122.788944546558, + "CB_CG": 1.49454677031057, + "CG_OD1": 1.22317909771575, + "CB_CG_ND2": 116.629758116413, + "CG_ND2": 1.34052171002494, + "CA_CB_CG": 112.577125359444 } }, { "pk": 22, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 120.028259869895, - "OD1_CG_ND2": 122.725795342368, - "CB_CG": 1.50427507983576, - "CG_OD1": 1.22603416658518, - "CB_CG_ND2": 117.231508581712, - "CG_ND2": 1.34062376421557, - "CA_CB_CG": 112.304132503542 + "CB_CG_OD1": 120.713261891958, + "OD1_CG_ND2": 122.559970484558, + "CB_CG": 1.51596688107321, + "CG_OD1": 1.23017273523075, + "CB_CG_ND2": 116.717090602035, + "CG_ND2": 1.33360424418163, + "CA_CB_CG": 112.575516670008 } }, { "pk": 23, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 120.058820249501, - "OD1_CG_ND2": 122.626076251042, - "CB_CG": 1.53360959185279, - "CG_OD1": 1.23346476349292, - "CB_CG_ND2": 117.31314972371, - "CG_ND2": 1.33291842155716, - "CA_CB_CG": 112.018168490344 + "CB_CG_OD1": 119.727841339837, + "OD1_CG_ND2": 122.892034811262, + "CB_CG": 1.50574551527288, + "CG_OD1": 1.22327737502226, + "CB_CG_ND2": 117.379724333269, + "CG_ND2": 1.3399189994192, + "CA_CB_CG": 112.202725005437 } }, { "pk": 24, "model": "pgd_core.sidechain_asn", "fields": { - "CB_CG_OD1": 121.149016312568, - "OD1_CG_ND2": 122.718074835393, - "CB_CG": 1.5160324734998, - "CG_OD1": 1.23414900675007, - "CB_CG_ND2": 116.132827462696, - "CG_ND2": 1.30274282977477, - "CA_CB_CG": 112.175382225699 + "CB_CG_OD1": 120.908463984578, + "OD1_CG_ND2": 122.923822433388, + "CB_CG": 1.51007629577469, + "CG_OD1": 1.22654882549391, + "CB_CG_ND2": 116.166248598322, + "CG_ND2": 1.3475516640256, + "CA_CB_CG": 112.975939321915 } }, { "pk": 25, "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.942212359022, - "OD1_CG_ND2": 122.648867384996, - "CB_CG": 1.53152379918081, - "CG_OD1": 1.2394319963531, - "CB_CG_ND2": 116.403374234729, - "CG_ND2": 1.31880252972696, - "CA_CB_CG": 111.835204520562 - } -}, -{ - "pk": 26, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.503942976775, - "OD1_CG_ND2": 122.796206579883, - "CB_CG": 1.49473599934892, - "CG_OD1": 1.23953806203472, - "CB_CG_ND2": 116.493542221171, - "CG_ND2": 1.31902522620356, - "CA_CB_CG": 111.520980649966 - } -}, -{ - "pk": 27, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.329538680287, - "OD1_CG_ND2": 122.843944677825, - "CB_CG": 1.52393861781749, - "CG_OD1": 1.22859885987672, - "CB_CG_ND2": 116.824787227423, - "CG_ND2": 1.33731860220637, - "CA_CB_CG": 112.801069244212 - } -}, -{ - "pk": 28, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.282705077477, - "OD1_CG_ND2": 123.011979525817, - "CB_CG": 1.515787620484, - "CG_OD1": 1.23153766945432, - "CB_CG_ND2": 116.694795520529, - "CG_ND2": 1.34084644896955, - "CA_CB_CG": 111.859379380346 - } -}, -{ - "pk": 29, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.104919252836, - "OD1_CG_ND2": 122.760915217617, - "CB_CG": 1.52178292175907, - "CG_OD1": 1.23998382718926, - "CB_CG_ND2": 116.120661801859, - "CG_ND2": 1.34572032126227, - "CA_CB_CG": 112.439080015327 - } -}, -{ - "pk": 30, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.308390419642, - "OD1_CG_ND2": 122.719587770877, - "CB_CG": 1.52111259572478, - "CG_OD1": 1.22530566258502, - "CB_CG_ND2": 116.964851263414, - "CG_ND2": 1.32128356932398, - "CA_CB_CG": 112.399220853768 - } -}, -{ - "pk": 31, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 122.816094607968, - "OD1_CG_ND2": 122.521064911659, - "CB_CG": 1.52573891919421, - "CG_OD1": 1.24805141764949, - "CB_CG_ND2": 114.656793233975, - "CG_ND2": 1.33363269084446, - "CA_CB_CG": 113.779502378932 - } -}, -{ - "pk": 32, - "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.86164422945, "OD1_CG_ND2": 122.604076275598, @@ -5922,20 +5050,7 @@ } }, { - "pk": 33, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.69352510651, - "OD1_CG_ND2": 122.695616224056, - "CB_CG": 1.50692454053035, - "CG_OD1": 1.23797279781214, - "CB_CG_ND2": 116.610741405713, - "CG_ND2": 1.33895355713791, - "CA_CB_CG": 112.333084328647 - } -}, -{ - "pk": 34, + "pk": 26, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.949209572561, @@ -5948,7 +5063,7 @@ } }, { - "pk": 35, + "pk": 27, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.927359270583, @@ -5961,33 +5076,7 @@ } }, { - "pk": 36, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.950745791397, - "OD1_CG_ND2": 122.40038788735, - "CB_CG": 1.53513732314103, - "CG_OD1": 1.23328990162423, - "CB_CG_ND2": 116.64772303697, - "CG_ND2": 1.33089798506067, - "CA_CB_CG": 112.962756125866 - } -}, -{ - "pk": 37, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.04505928637, - "OD1_CG_ND2": 122.66187002938, - "CB_CG": 1.51711096599086, - "CG_OD1": 1.2360366059479, - "CB_CG_ND2": 116.292902977093, - "CG_ND2": 1.34270090433427, - "CA_CB_CG": 112.651621066739 - } -}, -{ - "pk": 38, + "pk": 28, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.751557532723, @@ -6000,33 +5089,7 @@ } }, { - "pk": 39, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.003256489083, - "OD1_CG_ND2": 122.678691140961, - "CB_CG": 1.47302183691659, - "CG_OD1": 1.22573137160545, - "CB_CG_ND2": 116.245962947067, - "CG_ND2": 1.31189151568743, - "CA_CB_CG": 112.257556815339 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.178054132235, - "OD1_CG_ND2": 122.545528819537, - "CB_CG": 1.50747706978341, - "CG_OD1": 1.2363791921352, - "CB_CG_ND2": 116.151611111663, - "CG_ND2": 1.32175817494821, - "CA_CB_CG": 112.613309387349 - } -}, -{ - "pk": 41, + "pk": 29, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.87113325641, @@ -6039,46 +5102,7 @@ } }, { - "pk": 42, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.326353624193, - "OD1_CG_ND2": 123.041608905669, - "CB_CG": 1.50968241038556, - "CG_OD1": 1.25395855491122, - "CB_CG_ND2": 116.631571185362, - "CG_ND2": 1.34478704254882, - "CA_CB_CG": 112.118473275502 - } -}, -{ - "pk": 43, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.544572772368, - "OD1_CG_ND2": 122.46222253744, - "CB_CG": 1.51964807391949, - "CG_OD1": 1.2330330479075, - "CB_CG_ND2": 116.989483014883, - "CG_ND2": 1.31402274589201, - "CA_CB_CG": 112.134239486066 - } -}, -{ - "pk": 44, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 119.462506161017, - "OD1_CG_ND2": 122.597928178279, - "CB_CG": 1.49190612604091, - "CG_OD1": 1.23414174754834, - "CB_CG_ND2": 117.909514499726, - "CG_ND2": 1.3287931157312, - "CA_CB_CG": 111.191376173623 - } -}, -{ - "pk": 45, + "pk": 30, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.641513413933, @@ -6091,7 +5115,7 @@ } }, { - "pk": 46, + "pk": 31, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.815017476373, @@ -6104,33 +5128,7 @@ } }, { - "pk": 47, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.538723239044, - "OD1_CG_ND2": 122.607468134931, - "CB_CG": 1.4972845155207, - "CG_OD1": 1.21070901954434, - "CB_CG_ND2": 116.837337144706, - "CG_ND2": 1.3388374493632, - "CA_CB_CG": 112.934830839988 - } -}, -{ - "pk": 48, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 119.829973881492, - "OD1_CG_ND2": 123.147837116724, - "CB_CG": 1.50499652543515, - "CG_OD1": 1.25099904424936, - "CB_CG_ND2": 116.849387502715, - "CG_ND2": 1.34383329028211, - "CA_CB_CG": 110.995791370616 - } -}, -{ - "pk": 49, + "pk": 32, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.891844397194, @@ -6143,20 +5141,7 @@ } }, { - "pk": 50, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 119.892234360752, - "OD1_CG_ND2": 122.612702833466, - "CB_CG": 1.5123355253232, - "CG_OD1": 1.24095961287115, - "CB_CG_ND2": 117.488336509437, - "CG_ND2": 1.32990651042292, - "CA_CB_CG": 113.363240908801 - } -}, -{ - "pk": 51, + "pk": 33, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.897160790114, @@ -6169,7 +5154,7 @@ } }, { - "pk": 52, + "pk": 34, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.930494570459, @@ -6182,33 +5167,7 @@ } }, { - "pk": 53, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 122.097020130937, - "OD1_CG_ND2": 122.455966042777, - "CB_CG": 1.53565245385982, - "CG_OD1": 1.22929130897612, - "CB_CG_ND2": 115.446140821422, - "CG_ND2": 1.34633493614562, - "CA_CB_CG": 113.929059524197 - } -}, -{ - "pk": 54, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.337558906354, - "OD1_CG_ND2": 122.500553197475, - "CB_CG": 1.51330704582274, - "CG_OD1": 1.22139813877059, - "CB_CG_ND2": 116.154503350104, - "CG_ND2": 1.34372497601234, - "CA_CB_CG": 113.18987525183 - } -}, -{ - "pk": 55, + "pk": 35, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.025583642837, @@ -6221,59 +5180,7 @@ } }, { - "pk": 56, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.014696325181, - "OD1_CG_ND2": 122.92875175381, - "CB_CG": 1.5220886275647, - "CG_OD1": 1.23686203300554, - "CB_CG_ND2": 117.056296140164, - "CG_ND2": 1.3396624237962, - "CA_CB_CG": 112.241279518391 - } -}, -{ - "pk": 57, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.763649433716, - "OD1_CG_ND2": 122.615099127943, - "CB_CG": 1.52214189103283, - "CG_OD1": 1.23906341827269, - "CB_CG_ND2": 116.618332660968, - "CG_ND2": 1.33517808941245, - "CA_CB_CG": 113.369317275331 - } -}, -{ - "pk": 58, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.204135902141, - "OD1_CG_ND2": 122.256178478418, - "CB_CG": 1.53796211636519, - "CG_OD1": 1.22733125058331, - "CB_CG_ND2": 117.46029321763, - "CG_ND2": 1.35324199907944, - "CA_CB_CG": 112.640909131991 - } -}, -{ - "pk": 59, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 119.938943371778, - "OD1_CG_ND2": 122.943911038782, - "CB_CG": 1.52072855204354, - "CG_OD1": 1.2329054265445, - "CB_CG_ND2": 117.055223091739, - "CG_ND2": 1.34631014221278, - "CA_CB_CG": 111.94680901184 - } -}, -{ - "pk": 60, + "pk": 36, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.172793809532, @@ -6286,7 +5193,7 @@ } }, { - "pk": 61, + "pk": 37, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.091169407731, @@ -6299,20 +5206,7 @@ } }, { - "pk": 62, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.77679593752, - "OD1_CG_ND2": 122.462051929794, - "CB_CG": 1.52725831406705, - "CG_OD1": 1.22624354270881, - "CB_CG_ND2": 115.734190415512, - "CG_ND2": 1.33671205678078, - "CA_CB_CG": 113.561280604996 - } -}, -{ - "pk": 63, + "pk": 38, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.233177382221, @@ -6325,20 +5219,7 @@ } }, { - "pk": 64, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.793918128987, - "OD1_CG_ND2": 122.54001837169, - "CB_CG": 1.52992304313448, - "CG_OD1": 1.23546264169634, - "CB_CG_ND2": 116.543941191184, - "CG_ND2": 1.32807683442386, - "CA_CB_CG": 111.665772834597 - } -}, -{ - "pk": 65, + "pk": 39, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.876138191212, @@ -6351,7 +5232,7 @@ } }, { - "pk": 66, + "pk": 40, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.829344469635, @@ -6364,20 +5245,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.681023126382, - "OD1_CG_ND2": 122.631477794328, - "CB_CG": 1.51704699330552, - "CG_OD1": 1.2379060448092, - "CB_CG_ND2": 115.678603455744, - "CG_ND2": 1.32541308608143, - "CA_CB_CG": 113.105216954387 - } -}, -{ - "pk": 68, + "pk": 41, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.513473199697, @@ -6390,20 +5258,7 @@ } }, { - "pk": 69, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.646804496705, - "OD1_CG_ND2": 123.02841327666, - "CB_CG": 1.50132880418875, - "CG_OD1": 1.24282159032431, - "CB_CG_ND2": 116.315742047198, - "CG_ND2": 1.34370354875409, - "CA_CB_CG": 112.268275048821 - } -}, -{ - "pk": 70, + "pk": 42, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.605583793782, @@ -6416,7 +5271,7 @@ } }, { - "pk": 71, + "pk": 43, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.965368694143, @@ -6429,7 +5284,7 @@ } }, { - "pk": 72, + "pk": 44, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.802563462294, @@ -6442,7 +5297,7 @@ } }, { - "pk": 73, + "pk": 45, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.540204492372, @@ -6455,20 +5310,7 @@ } }, { - "pk": 74, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.18047689736, - "OD1_CG_ND2": 122.931178010251, - "CB_CG": 1.51509051574909, - "CG_OD1": 1.24388138319798, - "CB_CG_ND2": 116.86685253103, - "CG_ND2": 1.34189314257265, - "CA_CB_CG": 112.311517950924 - } -}, -{ - "pk": 75, + "pk": 46, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 119.388035341378, @@ -6481,46 +5323,7 @@ } }, { - "pk": 76, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.442448215099, - "OD1_CG_ND2": 122.972215875578, - "CB_CG": 1.52082981761712, - "CG_OD1": 1.2519807079282, - "CB_CG_ND2": 116.583994448236, - "CG_ND2": 1.33477693998771, - "CA_CB_CG": 112.193749847953 - } -}, -{ - "pk": 77, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.247572515481, - "OD1_CG_ND2": 122.647083405275, - "CB_CG": 1.51129525264811, - "CG_OD1": 1.23002815452055, - "CB_CG_ND2": 116.105107524376, - "CG_ND2": 1.34305375577519, - "CA_CB_CG": 113.37403646388 - } -}, -{ - "pk": 78, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.424223312412, - "OD1_CG_ND2": 122.385602996551, - "CB_CG": 1.53358461436635, - "CG_OD1": 1.21155077160554, - "CB_CG_ND2": 117.180636109898, - "CG_ND2": 1.32217358646704, - "CA_CB_CG": 112.572231634255 - } -}, -{ - "pk": 79, + "pk": 47, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.266829443888, @@ -6533,20 +5336,7 @@ } }, { - "pk": 80, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.527962969945, - "OD1_CG_ND2": 122.328295654405, - "CB_CG": 1.53483592353397, - "CG_OD1": 1.21531087817802, - "CB_CG_ND2": 117.126391363388, - "CG_ND2": 1.33463840682746, - "CA_CB_CG": 112.812331855649 - } -}, -{ - "pk": 81, + "pk": 48, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.730813437914, @@ -6559,7 +5349,7 @@ } }, { - "pk": 82, + "pk": 49, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.929339718948, @@ -6572,20 +5362,7 @@ } }, { - "pk": 83, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 119.739961239514, - "OD1_CG_ND2": 123.005889864097, - "CB_CG": 1.4735693104172, - "CG_OD1": 1.21816753187519, - "CB_CG_ND2": 117.254136335414, - "CG_ND2": 1.34605035727022, - "CA_CB_CG": 112.479284780347 - } -}, -{ - "pk": 84, + "pk": 50, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.300094433075, @@ -6598,7 +5375,7 @@ } }, { - "pk": 85, + "pk": 51, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.921027917328, @@ -6611,7 +5388,7 @@ } }, { - "pk": 86, + "pk": 52, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.077134185168, @@ -6624,20 +5401,7 @@ } }, { - "pk": 87, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.346942319189, - "OD1_CG_ND2": 123.063425963624, - "CB_CG": 1.52377502894528, - "CG_OD1": 1.23462862292645, - "CB_CG_ND2": 116.58888208328, - "CG_ND2": 1.33711007684761, - "CA_CB_CG": 112.040554867825 - } -}, -{ - "pk": 88, + "pk": 53, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.008894728768, @@ -6650,20 +5414,7 @@ } }, { - "pk": 89, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.269588437226, - "OD1_CG_ND2": 122.794490040098, - "CB_CG": 1.49737858035829, - "CG_OD1": 1.23919240987795, - "CB_CG_ND2": 116.847133618013, - "CG_ND2": 1.33223364412756, - "CA_CB_CG": 111.674085363211 - } -}, -{ - "pk": 90, + "pk": 54, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.540608723186, @@ -6676,7 +5427,7 @@ } }, { - "pk": 91, + "pk": 55, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.918902482617, @@ -6689,7 +5440,7 @@ } }, { - "pk": 92, + "pk": 56, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.16260112171, @@ -6702,7 +5453,7 @@ } }, { - "pk": 93, + "pk": 57, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.826847333052, @@ -6715,20 +5466,7 @@ } }, { - "pk": 94, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.997161303111, - "OD1_CG_ND2": 122.552019168422, - "CB_CG": 1.53384757989404, - "CG_OD1": 1.23706076847939, - "CB_CG_ND2": 116.443843846153, - "CG_ND2": 1.33552779447425, - "CA_CB_CG": 113.053749768195 - } -}, -{ - "pk": 95, + "pk": 58, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.290004855541, @@ -6741,7 +5479,7 @@ } }, { - "pk": 96, + "pk": 59, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.801408986036, @@ -6754,33 +5492,7 @@ } }, { - "pk": 97, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.503153174962, - "OD1_CG_ND2": 122.612861269249, - "CB_CG": 1.49116645740839, - "CG_OD1": 1.22080817584252, - "CB_CG_ND2": 116.87938365477, - "CG_ND2": 1.3146529304425, - "CA_CB_CG": 112.261881504454 - } -}, -{ - "pk": 98, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.219746311515, - "OD1_CG_ND2": 122.67909450275, - "CB_CG": 1.52612265567387, - "CG_OD1": 1.24337856821683, - "CB_CG_ND2": 116.099260805297, - "CG_ND2": 1.33088591882929, - "CA_CB_CG": 112.707797331936 - } -}, -{ - "pk": 99, + "pk": 60, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.900392870888, @@ -6793,46 +5505,7 @@ } }, { - "pk": 100, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.924558322404, - "OD1_CG_ND2": 122.474169660167, - "CB_CG": 1.52837300756884, - "CG_OD1": 1.23137385701919, - "CB_CG_ND2": 116.59950499004, - "CG_ND2": 1.32952433490857, - "CA_CB_CG": 112.372579637529 - } -}, -{ - "pk": 101, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.144225651852, - "OD1_CG_ND2": 122.809531036969, - "CB_CG": 1.51602276001034, - "CG_OD1": 1.23140267015133, - "CB_CG_ND2": 117.042484376628, - "CG_ND2": 1.33094695072682, - "CA_CB_CG": 112.135638954504 - } -}, -{ - "pk": 102, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 121.519378544282, - "OD1_CG_ND2": 122.368344946417, - "CB_CG": 1.5242744969159, - "CG_OD1": 1.22559907128881, - "CB_CG_ND2": 116.090357179194, - "CG_ND2": 1.32712085114669, - "CA_CB_CG": 113.547149215467 - } -}, -{ - "pk": 103, + "pk": 61, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.791753185089, @@ -6845,46 +5518,7 @@ } }, { - "pk": 104, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.609707460258, - "OD1_CG_ND2": 122.933109788496, - "CB_CG": 1.50631552907903, - "CG_OD1": 1.24482314560509, - "CB_CG_ND2": 116.365824603447, - "CG_ND2": 1.32556336101534, - "CA_CB_CG": 111.681839130595 - } -}, -{ - "pk": 105, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.539938198813, - "OD1_CG_ND2": 122.704741731307, - "CB_CG": 1.52609994249855, - "CG_OD1": 1.23947317143023, - "CB_CG_ND2": 116.755275173674, - "CG_ND2": 1.33742451114082, - "CA_CB_CG": 112.320351166001 - } -}, -{ - "pk": 106, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.36647552871, - "OD1_CG_ND2": 122.760986319167, - "CB_CG": 1.5149760537728, - "CG_OD1": 1.22342661937427, - "CB_CG_ND2": 116.838051530812, - "CG_ND2": 1.33920960529446, - "CA_CB_CG": 112.8451068375 - } -}, -{ - "pk": 107, + "pk": 62, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.657986170912, @@ -6897,7 +5531,7 @@ } }, { - "pk": 108, + "pk": 63, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 119.828515626548, @@ -6910,7 +5544,7 @@ } }, { - "pk": 109, + "pk": 64, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.622687342435, @@ -6923,33 +5557,7 @@ } }, { - "pk": 110, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.569711084, - "OD1_CG_ND2": 122.788944546558, - "CB_CG": 1.49454677031057, - "CG_OD1": 1.22317909771575, - "CB_CG_ND2": 116.629758116413, - "CG_ND2": 1.34052171002494, - "CA_CB_CG": 112.577125359444 - } -}, -{ - "pk": 111, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.713261891958, - "OD1_CG_ND2": 122.559970484558, - "CB_CG": 1.51596688107321, - "CG_OD1": 1.23017273523075, - "CB_CG_ND2": 116.717090602035, - "CG_ND2": 1.33360424418163, - "CA_CB_CG": 112.575516670008 - } -}, -{ - "pk": 112, + "pk": 65, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.232897279079, @@ -6962,33 +5570,7 @@ } }, { - "pk": 113, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 119.727841339837, - "OD1_CG_ND2": 122.892034811262, - "CB_CG": 1.50574551527288, - "CG_OD1": 1.22327737502226, - "CB_CG_ND2": 117.379724333269, - "CG_ND2": 1.3399189994192, - "CA_CB_CG": 112.202725005437 - } -}, -{ - "pk": 114, - "model": "pgd_core.sidechain_asn", - "fields": { - "CB_CG_OD1": 120.908463984578, - "OD1_CG_ND2": 122.923822433388, - "CB_CG": 1.51007629577469, - "CG_OD1": 1.22654882549391, - "CB_CG_ND2": 116.166248598322, - "CG_ND2": 1.3475516640256, - "CA_CB_CG": 112.975939321915 - } -}, -{ - "pk": 115, + "pk": 66, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.955011423913, @@ -7001,7 +5583,7 @@ } }, { - "pk": 116, + "pk": 67, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.857753282556, @@ -7014,7 +5596,7 @@ } }, { - "pk": 117, + "pk": 68, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.719805916512, @@ -7027,7 +5609,7 @@ } }, { - "pk": 118, + "pk": 69, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.371342171042, @@ -7040,7 +5622,7 @@ } }, { - "pk": 119, + "pk": 70, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.64175303689, @@ -7053,7 +5635,7 @@ } }, { - "pk": 120, + "pk": 71, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.049410990843, @@ -7066,7 +5648,7 @@ } }, { - "pk": 121, + "pk": 72, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.128173960828, @@ -7079,7 +5661,7 @@ } }, { - "pk": 122, + "pk": 73, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.14617986033, @@ -7092,7 +5674,7 @@ } }, { - "pk": 123, + "pk": 74, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.836733842535, @@ -7105,7 +5687,7 @@ } }, { - "pk": 124, + "pk": 75, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.942883215282, @@ -7118,7 +5700,7 @@ } }, { - "pk": 125, + "pk": 76, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.866452527118, @@ -7131,7 +5713,7 @@ } }, { - "pk": 126, + "pk": 77, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.022981167711, @@ -7144,7 +5726,7 @@ } }, { - "pk": 127, + "pk": 78, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.599946459878, @@ -7157,7 +5739,7 @@ } }, { - "pk": 128, + "pk": 79, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.006983764586, @@ -7170,7 +5752,7 @@ } }, { - "pk": 129, + "pk": 80, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.754379120459, @@ -7183,7 +5765,7 @@ } }, { - "pk": 130, + "pk": 81, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.358309984712, @@ -7196,7 +5778,7 @@ } }, { - "pk": 131, + "pk": 82, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.847268730387, @@ -7209,7 +5791,7 @@ } }, { - "pk": 132, + "pk": 83, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.668951880597, @@ -7222,7 +5804,7 @@ } }, { - "pk": 133, + "pk": 84, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.778903145293, @@ -7235,7 +5817,7 @@ } }, { - "pk": 134, + "pk": 85, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.760110994219, @@ -7248,7 +5830,7 @@ } }, { - "pk": 135, + "pk": 86, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.036980701692, @@ -7261,7 +5843,7 @@ } }, { - "pk": 136, + "pk": 87, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.695370560577, @@ -7274,7 +5856,7 @@ } }, { - "pk": 137, + "pk": 88, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.046178691231, @@ -7287,7 +5869,7 @@ } }, { - "pk": 138, + "pk": 89, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.621587258322, @@ -7300,7 +5882,7 @@ } }, { - "pk": 139, + "pk": 90, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.88327760442, @@ -7313,7 +5895,7 @@ } }, { - "pk": 140, + "pk": 91, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.401117229113, @@ -7326,7 +5908,7 @@ } }, { - "pk": 141, + "pk": 92, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.331800260268, @@ -7339,7 +5921,7 @@ } }, { - "pk": 142, + "pk": 93, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.372688663603, @@ -7352,7 +5934,7 @@ } }, { - "pk": 143, + "pk": 94, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.829016411055, @@ -7365,7 +5947,7 @@ } }, { - "pk": 144, + "pk": 95, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.619018818918, @@ -7378,7 +5960,7 @@ } }, { - "pk": 145, + "pk": 96, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.821642616104, @@ -7391,7 +5973,7 @@ } }, { - "pk": 146, + "pk": 97, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.79504295142, @@ -7404,7 +5986,7 @@ } }, { - "pk": 147, + "pk": 98, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.829035613454, @@ -7417,7 +5999,7 @@ } }, { - "pk": 148, + "pk": 99, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.506183375722, @@ -7430,7 +6012,7 @@ } }, { - "pk": 149, + "pk": 100, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.539024803002, @@ -7443,7 +6025,7 @@ } }, { - "pk": 150, + "pk": 101, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.101802781054, @@ -7456,7 +6038,7 @@ } }, { - "pk": 151, + "pk": 102, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.548416405482, @@ -7469,7 +6051,7 @@ } }, { - "pk": 152, + "pk": 103, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.958037981749, @@ -7482,7 +6064,7 @@ } }, { - "pk": 153, + "pk": 104, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.647251930654, @@ -7495,7 +6077,7 @@ } }, { - "pk": 154, + "pk": 105, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.190721856088, @@ -7508,7 +6090,7 @@ } }, { - "pk": 155, + "pk": 106, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.942104044072, @@ -7521,7 +6103,7 @@ } }, { - "pk": 156, + "pk": 107, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.141140858527, @@ -7534,7 +6116,7 @@ } }, { - "pk": 157, + "pk": 108, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.98300478839, @@ -7547,7 +6129,7 @@ } }, { - "pk": 158, + "pk": 109, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.718925495975, @@ -7560,7 +6142,7 @@ } }, { - "pk": 159, + "pk": 110, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.097751236644, @@ -7573,7 +6155,7 @@ } }, { - "pk": 160, + "pk": 111, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.047568558114, @@ -7586,7 +6168,7 @@ } }, { - "pk": 161, + "pk": 112, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.32668563499, @@ -7599,7 +6181,7 @@ } }, { - "pk": 162, + "pk": 113, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.705768172963, @@ -7612,7 +6194,7 @@ } }, { - "pk": 163, + "pk": 114, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.692751324707, @@ -7625,7 +6207,7 @@ } }, { - "pk": 164, + "pk": 115, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.703269534757, @@ -7638,7 +6220,7 @@ } }, { - "pk": 165, + "pk": 116, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.704060529669, @@ -7651,7 +6233,7 @@ } }, { - "pk": 166, + "pk": 117, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 119.930340212808, @@ -7664,7 +6246,7 @@ } }, { - "pk": 167, + "pk": 118, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.090803544698, @@ -7677,7 +6259,7 @@ } }, { - "pk": 168, + "pk": 119, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 122.273683431002, @@ -7690,7 +6272,7 @@ } }, { - "pk": 169, + "pk": 120, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.962547695502, @@ -7703,7 +6285,7 @@ } }, { - "pk": 170, + "pk": 121, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.407464118123, @@ -7716,7 +6298,7 @@ } }, { - "pk": 171, + "pk": 122, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.601724679523, @@ -7729,7 +6311,7 @@ } }, { - "pk": 172, + "pk": 123, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.735011170429, @@ -7742,7 +6324,7 @@ } }, { - "pk": 173, + "pk": 124, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.106512894883, @@ -7755,7 +6337,7 @@ } }, { - "pk": 174, + "pk": 125, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.737711424375, @@ -7768,7 +6350,7 @@ } }, { - "pk": 175, + "pk": 126, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.818563142521, @@ -7781,7 +6363,7 @@ } }, { - "pk": 176, + "pk": 127, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.665612343204, @@ -7794,7 +6376,7 @@ } }, { - "pk": 177, + "pk": 128, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.923474391143, @@ -7807,7 +6389,7 @@ } }, { - "pk": 178, + "pk": 129, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.531488763281, @@ -7820,7 +6402,7 @@ } }, { - "pk": 179, + "pk": 130, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.752715008357, @@ -7833,7 +6415,7 @@ } }, { - "pk": 180, + "pk": 131, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.649664886406, @@ -7846,7 +6428,7 @@ } }, { - "pk": 181, + "pk": 132, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.817797059001, @@ -7859,7 +6441,7 @@ } }, { - "pk": 182, + "pk": 133, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.775501099317, @@ -7872,7 +6454,7 @@ } }, { - "pk": 183, + "pk": 134, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.028383684955, @@ -7885,7 +6467,7 @@ } }, { - "pk": 184, + "pk": 135, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.880590218785, @@ -7898,7 +6480,7 @@ } }, { - "pk": 185, + "pk": 136, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.711718583536, @@ -7911,7 +6493,7 @@ } }, { - "pk": 186, + "pk": 137, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.784780412702, @@ -7924,7 +6506,7 @@ } }, { - "pk": 187, + "pk": 138, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.397855970923, @@ -7937,7 +6519,7 @@ } }, { - "pk": 188, + "pk": 139, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.809901043684, @@ -7950,7 +6532,7 @@ } }, { - "pk": 189, + "pk": 140, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.12141961713, @@ -7963,7 +6545,7 @@ } }, { - "pk": 190, + "pk": 141, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.983330442921, @@ -7976,7 +6558,7 @@ } }, { - "pk": 191, + "pk": 142, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.962789596932, @@ -7989,7 +6571,7 @@ } }, { - "pk": 192, + "pk": 143, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.853288813701, @@ -8002,7 +6584,7 @@ } }, { - "pk": 193, + "pk": 144, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.599835302131, @@ -8015,7 +6597,7 @@ } }, { - "pk": 194, + "pk": 145, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.950001042655, @@ -8028,7 +6610,7 @@ } }, { - "pk": 195, + "pk": 146, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.051944418814, @@ -8041,7 +6623,7 @@ } }, { - "pk": 196, + "pk": 147, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.967318151009, @@ -8054,7 +6636,7 @@ } }, { - "pk": 197, + "pk": 148, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.034730313123, @@ -8067,7 +6649,7 @@ } }, { - "pk": 198, + "pk": 149, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.722481558635, @@ -8080,7 +6662,7 @@ } }, { - "pk": 199, + "pk": 150, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.697125891811, @@ -8093,7 +6675,7 @@ } }, { - "pk": 200, + "pk": 151, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.033674627325, @@ -8106,7 +6688,7 @@ } }, { - "pk": 201, + "pk": 152, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.777612380947, @@ -8119,7 +6701,7 @@ } }, { - "pk": 202, + "pk": 153, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.536203308494, @@ -8132,7 +6714,7 @@ } }, { - "pk": 203, + "pk": 154, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.921361294416, @@ -8145,7 +6727,7 @@ } }, { - "pk": 204, + "pk": 155, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.495228934141, @@ -8158,7 +6740,7 @@ } }, { - "pk": 205, + "pk": 156, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.03059527003, @@ -8171,7 +6753,7 @@ } }, { - "pk": 206, + "pk": 157, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.73944152255, @@ -8184,7 +6766,7 @@ } }, { - "pk": 207, + "pk": 158, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.319370794448, @@ -8197,7 +6779,7 @@ } }, { - "pk": 208, + "pk": 159, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.084954217996, @@ -8210,7 +6792,7 @@ } }, { - "pk": 209, + "pk": 160, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 121.130067223248, @@ -8223,7 +6805,7 @@ } }, { - "pk": 210, + "pk": 161, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.634818340134, @@ -8236,7 +6818,7 @@ } }, { - "pk": 211, + "pk": 162, "model": "pgd_core.sidechain_asn", "fields": { "CB_CG_OD1": 120.335691145099, @@ -8265,70 +6847,31 @@ "pk": 2, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 119.236209944524, - "CB_CG_OD1": 116.198312933727, - "CG_OD2": 1.25069309069131, - "CB_CG": 1.52406348713678, - "CG_OD1": 1.23748281158331, - "CA_CB_CG": 112.975097882441, - "OD1_CG_OD2": 124.536139395509 + "CB_CG_OD2": 117.823272451594, + "CB_CG_OD1": 120.391875769095, + "CG_OD2": 1.24149139758803, + "CB_CG": 1.50344443421314, + "CG_OD1": 1.25716258113451, + "CA_CB_CG": 112.444057405416, + "OD1_CG_OD2": 121.775525399193 } }, { "pk": 3, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 116.367856635151, - "CB_CG_OD1": 117.876756716978, - "CG_OD2": 1.24966061945022, - "CB_CG": 1.50686523569031, - "CG_OD1": 1.27242892135131, - "CA_CB_CG": 117.054667119057, - "OD1_CG_OD2": 125.714407646889 + "CB_CG_OD2": 119.060750600498, + "CB_CG_OD1": 119.42087926098, + "CG_OD2": 1.25569096275943, + "CB_CG": 1.5496445477289, + "CG_OD1": 1.24857816135032, + "CA_CB_CG": 112.933557830577, + "OD1_CG_OD2": 121.516496411429 } }, { "pk": 4, "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 114.672015459401, - "CB_CG_OD1": 120.347025135056, - "CG_OD2": 1.28051335931601, - "CB_CG": 1.48953671134404, - "CG_OD1": 1.2573457376445, - "CA_CB_CG": 116.374487882676, - "OD1_CG_OD2": 124.852384824101 - } -}, -{ - "pk": 5, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 117.561242921622, - "CB_CG_OD1": 118.295737077925, - "CG_OD2": 1.25944342822435, - "CB_CG": 1.52705870639121, - "CG_OD1": 1.25882642709544, - "CA_CB_CG": 110.813177458197, - "OD1_CG_OD2": 124.02752250371 - } -}, -{ - "pk": 6, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 104.352634750954, - "CB_CG_OD1": 113.401285156135, - "CG_OD2": 1.22412634785427, - "CB_CG": 1.50343319468706, - "CG_OD1": 1.22336521115438, - "CA_CB_CG": 98.8767368110086, - "OD1_CG_OD2": 142.116485330718 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.295148974764, "CB_CG_OD1": 118.604546150075, @@ -8340,7 +6883,7 @@ } }, { - "pk": 8, + "pk": 5, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.026041346584, @@ -8353,7 +6896,33 @@ } }, { - "pk": 9, + "pk": 6, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 119.236209944524, + "CB_CG_OD1": 116.198312933727, + "CG_OD2": 1.25069309069131, + "CB_CG": 1.52406348713678, + "CG_OD1": 1.23748281158331, + "CA_CB_CG": 112.975097882441, + "OD1_CG_OD2": 124.536139395509 + } +}, +{ + "pk": 7, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 116.367856635151, + "CB_CG_OD1": 117.876756716978, + "CG_OD2": 1.24966061945022, + "CB_CG": 1.50686523569031, + "CG_OD1": 1.27242892135131, + "CA_CB_CG": 117.054667119057, + "OD1_CG_OD2": 125.714407646889 + } +}, +{ + "pk": 8, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 120.974212337063, @@ -8366,7 +6935,7 @@ } }, { - "pk": 10, + "pk": 9, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.307741054545, @@ -8379,7 +6948,7 @@ } }, { - "pk": 11, + "pk": 10, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 116.289344852262, @@ -8392,59 +6961,20 @@ } }, { - "pk": 12, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 119.401386669732, - "CB_CG_OD1": 120.206287343173, - "CG_OD2": 1.22929050672935, - "CB_CG": 1.55062724416182, - "CG_OD1": 1.23531982468527, - "CA_CB_CG": 112.710025899692, - "OD1_CG_OD2": 120.375772517466 - } -}, -{ - "pk": 13, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 117.837390740446, - "CB_CG_OD1": 118.603790360231, - "CG_OD2": 1.26348531533212, - "CB_CG": 1.51898971385436, - "CG_OD1": 1.24511378644264, - "CA_CB_CG": 113.070527352112, - "OD1_CG_OD2": 123.554251652797 - } -}, -{ - "pk": 14, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 117.823272451594, - "CB_CG_OD1": 120.391875769095, - "CG_OD2": 1.24149139758803, - "CB_CG": 1.50344443421314, - "CG_OD1": 1.25716258113451, - "CA_CB_CG": 112.444057405416, - "OD1_CG_OD2": 121.775525399193 - } -}, -{ - "pk": 15, + "pk": 11, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 119.060750600498, - "CB_CG_OD1": 119.42087926098, - "CG_OD2": 1.25569096275943, - "CB_CG": 1.5496445477289, - "CG_OD1": 1.24857816135032, - "CA_CB_CG": 112.933557830577, - "OD1_CG_OD2": 121.516496411429 + "CB_CG_OD2": 114.672015459401, + "CB_CG_OD1": 120.347025135056, + "CG_OD2": 1.28051335931601, + "CB_CG": 1.48953671134404, + "CG_OD1": 1.2573457376445, + "CA_CB_CG": 116.374487882676, + "OD1_CG_OD2": 124.852384824101 } }, { - "pk": 16, + "pk": 12, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 116.190321831473, @@ -8457,7 +6987,20 @@ } }, { - "pk": 17, + "pk": 13, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 117.561242921622, + "CB_CG_OD1": 118.295737077925, + "CG_OD2": 1.25944342822435, + "CB_CG": 1.52705870639121, + "CG_OD1": 1.25882642709544, + "CA_CB_CG": 110.813177458197, + "OD1_CG_OD2": 124.02752250371 + } +}, +{ + "pk": 14, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.411415883449, @@ -8470,7 +7013,20 @@ } }, { - "pk": 18, + "pk": 15, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 104.352634750954, + "CB_CG_OD1": 113.401285156135, + "CG_OD2": 1.22412634785427, + "CB_CG": 1.50343319468706, + "CG_OD1": 1.22336521115438, + "CA_CB_CG": 98.8767368110086, + "OD1_CG_OD2": 142.116485330718 + } +}, +{ + "pk": 16, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.667877874464, @@ -8483,7 +7039,20 @@ } }, { - "pk": 19, + "pk": 17, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 119.401386669732, + "CB_CG_OD1": 120.206287343173, + "CG_OD2": 1.22929050672935, + "CB_CG": 1.55062724416182, + "CG_OD1": 1.23531982468527, + "CA_CB_CG": 112.710025899692, + "OD1_CG_OD2": 120.375772517466 + } +}, +{ + "pk": 18, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.223293207052, @@ -8495,6 +7064,19 @@ "OD1_CG_OD2": 121.250097830644 } }, +{ + "pk": 19, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 117.837390740446, + "CB_CG_OD1": 118.603790360231, + "CG_OD2": 1.26348531533212, + "CB_CG": 1.51898971385436, + "CG_OD1": 1.24511378644264, + "CA_CB_CG": 113.070527352112, + "OD1_CG_OD2": 123.554251652797 + } +}, { "pk": 20, "model": "pgd_core.sidechain_asp", @@ -8642,213 +7224,252 @@ "pk": 31, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 122.814778983993, - "CB_CG_OD1": 118.646624487834, - "CG_OD2": 1.25261765549587, - "CB_CG": 1.53671378722843, - "CG_OD1": 1.26192466206825, - "CA_CB_CG": 112.264281872265, - "OD1_CG_OD2": 118.538596497826 + "CB_CG_OD2": 121.934331294061, + "CB_CG_OD1": 119.39888171507, + "CG_OD2": 1.24769126512028, + "CB_CG": 1.49959760393918, + "CG_OD1": 1.24794290171738, + "CA_CB_CG": 113.169954845427, + "OD1_CG_OD2": 118.664391481665 } }, { "pk": 32, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 122.223894887635, - "CB_CG_OD1": 118.352402585077, - "CG_OD2": 1.25868556873635, - "CB_CG": 1.50277800623808, - "CG_OD1": 1.24324222083327, - "CA_CB_CG": 113.334743332242, - "OD1_CG_OD2": 119.409121808455 + "CB_CG_OD2": 121.626332387232, + "CB_CG_OD1": 120.435319704959, + "CG_OD2": 1.25576146976466, + "CB_CG": 1.5465774747321, + "CG_OD1": 1.26140539494876, + "CA_CB_CG": 113.591445730881, + "OD1_CG_OD2": 117.882119101636 } }, { "pk": 33, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 120.274986465405, - "CB_CG_OD1": 119.544708671749, - "CG_OD2": 1.24740745220188, - "CB_CG": 1.49848440611898, - "CG_OD1": 1.2467086467425, - "CA_CB_CG": 113.292647205727, - "OD1_CG_OD2": 120.177914312823 + "CB_CG_OD2": 122.780452107211, + "CB_CG_OD1": 118.592095790086, + "CG_OD2": 1.2491157366012, + "CB_CG": 1.51997452206378, + "CG_OD1": 1.25004750970428, + "CA_CB_CG": 112.604770349672, + "OD1_CG_OD2": 118.626091481099 } }, { "pk": 34, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 121.672062304418, - "CB_CG_OD1": 119.329204070166, - "CG_OD2": 1.2506109130678, - "CB_CG": 1.51071396602282, - "CG_OD1": 1.25072977930412, - "CA_CB_CG": 112.884608153748, - "OD1_CG_OD2": 118.998376540799 + "CB_CG_OD2": 120.441671775475, + "CB_CG_OD1": 121.196941594988, + "CG_OD2": 1.23701768404622, + "CB_CG": 1.51716646501038, + "CG_OD1": 1.27086806441085, + "CA_CB_CG": 112.9559405469, + "OD1_CG_OD2": 118.360241786837 } }, { "pk": 35, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 122.659411233638, - "CB_CG_OD1": 120.106324824547, - "CG_OD2": 1.2564488627209, - "CB_CG": 1.51952458375556, - "CG_OD1": 1.24857677033881, - "CA_CB_CG": 113.470052385346, - "OD1_CG_OD2": 117.226406909769 + "CB_CG_OD2": 120.930066009828, + "CB_CG_OD1": 119.24335202741, + "CG_OD2": 1.24376965401302, + "CB_CG": 1.48147141379712, + "CG_OD1": 1.2514086041654, + "CA_CB_CG": 113.070710192179, + "OD1_CG_OD2": 119.815835949828 } }, { "pk": 36, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 123.272770735394, - "CB_CG_OD1": 117.830796740705, - "CG_OD2": 1.24242525027167, - "CB_CG": 1.50250761786866, - "CG_OD1": 1.25125726355887, - "CA_CB_CG": 111.910442635928, - "OD1_CG_OD2": 118.895217199768 + "CB_CG_OD2": 121.896118251444, + "CB_CG_OD1": 119.903031258855, + "CG_OD2": 1.25417548573772, + "CB_CG": 1.51874944000873, + "CG_OD1": 1.24548239428971, + "CA_CB_CG": 113.331110188576, + "OD1_CG_OD2": 118.185053907018 } }, { "pk": 37, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 119.985926109163, - "CB_CG_OD1": 120.456341540228, - "CG_OD2": 1.24235909382669, - "CB_CG": 1.50484335957787, - "CG_OD1": 1.26524682095247, - "CA_CB_CG": 112.902259793515, - "OD1_CG_OD2": 119.536449750583 + "CB_CG_OD2": 121.137326821019, + "CB_CG_OD1": 119.863229483217, + "CG_OD2": 1.25134484035886, + "CB_CG": 1.50336042763448, + "CG_OD1": 1.25545242166692, + "CA_CB_CG": 113.203509287814, + "OD1_CG_OD2": 118.980381390352 } }, { "pk": 38, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 121.890864047473, - "CB_CG_OD1": 119.163304066627, - "CG_OD2": 1.24616565571831, - "CB_CG": 1.49786492606942, - "CG_OD1": 1.254877009437, - "CA_CB_CG": 112.865353158346, - "OD1_CG_OD2": 118.924407428826 + "CB_CG_OD2": 123.800714032943, + "CB_CG_OD1": 116.090852619963, + "CG_OD2": 1.26607292749953, + "CB_CG": 1.49631788030831, + "CG_OD1": 1.25101893842947, + "CA_CB_CG": 111.976951764068, + "OD1_CG_OD2": 120.103097849898 } }, { "pk": 39, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 121.093265385443, - "CB_CG_OD1": 119.931394553737, - "CG_OD2": 1.24495917691032, - "CB_CG": 1.52833382753875, - "CG_OD1": 1.25782665573425, - "CA_CB_CG": 112.788586910944, - "OD1_CG_OD2": 118.969702715156 + "CB_CG_OD2": 123.485592211977, + "CB_CG_OD1": 119.553628819694, + "CG_OD2": 1.23520293876325, + "CB_CG": 1.50719963358355, + "CG_OD1": 1.24359850784716, + "CA_CB_CG": 112.063478398144, + "OD1_CG_OD2": 116.938598195642 } }, { "pk": 40, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 123.631713641473, - "CB_CG_OD1": 116.364767364088, - "CG_OD2": 1.27239880547917, - "CB_CG": 1.51691389138455, - "CG_OD1": 1.2517768205573, - "CA_CB_CG": 112.300910222481, - "OD1_CG_OD2": 119.993756393082 + "CB_CG_OD2": 121.420927235663, + "CB_CG_OD1": 119.053838450325, + "CG_OD2": 1.25587423318232, + "CB_CG": 1.5073929874379, + "CG_OD1": 1.24791621583887, + "CA_CB_CG": 113.598567611218, + "OD1_CG_OD2": 119.51331404081 } }, { "pk": 41, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 124.755248480189, - "CB_CG_OD1": 115.948843339377, - "CG_OD2": 1.2448485161366, - "CB_CG": 1.49629407903437, - "CG_OD1": 1.24286108570025, - "CA_CB_CG": 111.339642593206, - "OD1_CG_OD2": 119.14553049005 + "CB_CG_OD2": 121.904888524626, + "CB_CG_OD1": 118.748891403981, + "CG_OD2": 1.25782106928358, + "CB_CG": 1.51975081938283, + "CG_OD1": 1.25565075650574, + "CA_CB_CG": 112.473711581087, + "OD1_CG_OD2": 119.340953030068 } }, { "pk": 42, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 120.805252392088, - "CB_CG_OD1": 120.085313031712, - "CG_OD2": 1.25103344084223, - "CB_CG": 1.50720770644173, - "CG_OD1": 1.25366426049239, - "CA_CB_CG": 113.26178868877, - "OD1_CG_OD2": 119.108787159818 + "CB_CG_OD2": 122.471412982327, + "CB_CG_OD1": 117.71784345553, + "CG_OD2": 1.24729683760268, + "CB_CG": 1.49724879365167, + "CG_OD1": 1.24964069421861, + "CA_CB_CG": 111.80175051216, + "OD1_CG_OD2": 119.789570096825 } }, { "pk": 43, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 121.012494852292, - "CB_CG_OD1": 120.051236052248, - "CG_OD2": 1.24935619770771, - "CB_CG": 1.50432606354893, - "CG_OD1": 1.26916081380235, - "CA_CB_CG": 113.633525120304, - "OD1_CG_OD2": 118.932929593898 + "CB_CG_OD2": 121.193199565682, + "CB_CG_OD1": 119.705720897965, + "CG_OD2": 1.25308566170179, + "CB_CG": 1.52522086710234, + "CG_OD1": 1.24404697748785, + "CA_CB_CG": 113.404809020507, + "OD1_CG_OD2": 119.090782433037 } }, { "pk": 44, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 122.451492397983, - "CB_CG_OD1": 118.789952443543, - "CG_OD2": 1.24905698602102, - "CB_CG": 1.50867257870451, - "CG_OD1": 1.27449712069749, - "CA_CB_CG": 112.432216599466, - "OD1_CG_OD2": 118.758396516076 + "CB_CG_OD2": 120.890713016704, + "CB_CG_OD1": 120.280750456782, + "CG_OD2": 1.24826018115553, + "CB_CG": 1.50627214419286, + "CG_OD1": 1.26961769270677, + "CA_CB_CG": 113.046389628592, + "OD1_CG_OD2": 118.790057888618 } }, { "pk": 45, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 123.790970330297, - "CB_CG_OD1": 117.816367336027, - "CG_OD2": 1.24154958872527, - "CB_CG": 1.50520771817352, - "CG_OD1": 1.23660850326508, - "CA_CB_CG": 112.089876720179, - "OD1_CG_OD2": 118.376981867316 + "CB_CG_OD2": 123.246195339586, + "CB_CG_OD1": 117.894803816508, + "CG_OD2": 1.24363888144918, + "CB_CG": 1.50044765391565, + "CG_OD1": 1.25052054233514, + "CA_CB_CG": 111.722009872663, + "OD1_CG_OD2": 118.854060095168 } }, { "pk": 46, "model": "pgd_core.sidechain_asp", "fields": { - "CB_CG_OD2": 122.326704577871, - "CB_CG_OD1": 119.200805978013, - "CG_OD2": 1.25785677648393, - "CB_CG": 1.52043073161142, - "CG_OD1": 1.25841335839136, - "CA_CB_CG": 112.626113610215, - "OD1_CG_OD2": 118.471876673747 + "CB_CG_OD2": 123.744165889124, + "CB_CG_OD1": 118.273633872937, + "CG_OD2": 1.25254501808418, + "CB_CG": 1.52362231882228, + "CG_OD1": 1.24819516752454, + "CA_CB_CG": 112.277301096545, + "OD1_CG_OD2": 117.980442624149 } }, { "pk": 47, "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 122.342895091653, + "CB_CG_OD1": 118.217388400636, + "CG_OD2": 1.2478179806863, + "CB_CG": 1.50941739280181, + "CG_OD1": 1.26998112750744, + "CA_CB_CG": 111.874206796196, + "OD1_CG_OD2": 119.43958814851 + } +}, +{ + "pk": 48, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 122.325579422905, + "CB_CG_OD1": 119.144287224309, + "CG_OD2": 1.2556200949028, + "CB_CG": 1.5174471084905, + "CG_OD1": 1.25008888674453, + "CA_CB_CG": 112.797052534579, + "OD1_CG_OD2": 118.529904908486 + } +}, +{ + "pk": 49, + "model": "pgd_core.sidechain_asp", + "fields": { + "CB_CG_OD2": 124.008303275381, + "CB_CG_OD1": 118.084559798585, + "CG_OD2": 1.25717348385927, + "CB_CG": 1.5230955959784, + "CG_OD1": 1.23205252290833, + "CA_CB_CG": 113.027873328355, + "OD1_CG_OD2": 117.891160444453 + } +}, +{ + "pk": 50, + "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.764689349435, "CB_CG_OD1": 118.399910807414, @@ -8860,7 +7481,7 @@ } }, { - "pk": 48, + "pk": 51, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.785636429321, @@ -8873,7 +7494,7 @@ } }, { - "pk": 49, + "pk": 52, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.426380283155, @@ -8886,33 +7507,7 @@ } }, { - "pk": 50, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.619328577904, - "CB_CG_OD1": 117.63394208897, - "CG_OD2": 1.24399067452036, - "CB_CG": 1.48053665903767, - "CG_OD1": 1.24791684975675, - "CA_CB_CG": 112.769206441197, - "OD1_CG_OD2": 121.741293882342 - } -}, -{ - "pk": 51, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.752932073127, - "CB_CG_OD1": 121.021044113444, - "CG_OD2": 1.24618916785496, - "CB_CG": 1.53257393038378, - "CG_OD1": 1.24720260231134, - "CA_CB_CG": 113.412619001715, - "OD1_CG_OD2": 117.211457387011 - } -}, -{ - "pk": 52, + "pk": 53, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.059464108399, @@ -8924,48 +7519,9 @@ "OD1_CG_OD2": 122.834723917326 } }, -{ - "pk": 53, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.355363789913, - "CB_CG_OD1": 120.753760407231, - "CG_OD2": 1.22746377468413, - "CB_CG": 1.5352249544205, - "CG_OD1": 1.2573652389609, - "CA_CB_CG": 112.818623715421, - "OD1_CG_OD2": 116.889214828514 - } -}, { "pk": 54, "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.027699218789, - "CB_CG_OD1": 117.674881112181, - "CG_OD2": 1.25173784795992, - "CB_CG": 1.48960831319615, - "CG_OD1": 1.2393493514028, - "CA_CB_CG": 112.682981771236, - "OD1_CG_OD2": 119.295850207885 - } -}, -{ - "pk": 55, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.117182690516, - "CB_CG_OD1": 119.139554418797, - "CG_OD2": 1.25099877319253, - "CB_CG": 1.50688971551706, - "CG_OD1": 1.25776175635267, - "CA_CB_CG": 112.225573287206, - "OD1_CG_OD2": 118.734573221098 - } -}, -{ - "pk": 56, - "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.428540560058, "CB_CG_OD1": 118.422730855282, @@ -8977,20 +7533,7 @@ } }, { - "pk": 57, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.603226807634, - "CB_CG_OD1": 118.74793968634, - "CG_OD2": 1.2428394556818, - "CB_CG": 1.52125123478335, - "CG_OD1": 1.25157227941326, - "CA_CB_CG": 112.246548412589, - "OD1_CG_OD2": 117.642326027129 - } -}, -{ - "pk": 58, + "pk": 55, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.407410001397, @@ -9003,20 +7546,7 @@ } }, { - "pk": 59, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.121481126495, - "CB_CG_OD1": 119.765382188431, - "CG_OD2": 1.25256118614113, - "CB_CG": 1.5058647966526, - "CG_OD1": 1.24348641552353, - "CA_CB_CG": 113.307231488026, - "OD1_CG_OD2": 118.081742466861 - } -}, -{ - "pk": 60, + "pk": 56, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.648403491909, @@ -9029,7 +7559,7 @@ } }, { - "pk": 61, + "pk": 57, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.081721824481, @@ -9042,7 +7572,7 @@ } }, { - "pk": 62, + "pk": 58, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.127775869793, @@ -9055,7 +7585,7 @@ } }, { - "pk": 63, + "pk": 59, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.514706609643, @@ -9068,7 +7598,7 @@ } }, { - "pk": 64, + "pk": 60, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.527708292614, @@ -9081,7 +7611,7 @@ } }, { - "pk": 65, + "pk": 61, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.461210576075, @@ -9094,20 +7624,7 @@ } }, { - "pk": 66, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.606476450619, - "CB_CG_OD1": 119.266984938179, - "CG_OD2": 1.23535489596919, - "CB_CG": 1.49242627220937, - "CG_OD1": 1.26068605165495, - "CA_CB_CG": 113.174966261164, - "OD1_CG_OD2": 119.115290472588 - } -}, -{ - "pk": 67, + "pk": 62, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.527705286926, @@ -9120,7 +7637,7 @@ } }, { - "pk": 68, + "pk": 63, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.559766458224, @@ -9133,46 +7650,7 @@ } }, { - "pk": 69, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.315907055568, - "CB_CG_OD1": 118.126085436623, - "CG_OD2": 1.249337595058, - "CB_CG": 1.49461259560602, - "CG_OD1": 1.25611999052642, - "CA_CB_CG": 112.484405488602, - "OD1_CG_OD2": 119.555382987266 - } -}, -{ - "pk": 70, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.595400254268, - "CB_CG_OD1": 117.944415451325, - "CG_OD2": 1.25409941476052, - "CB_CG": 1.52705141406279, - "CG_OD1": 1.2537623727652, - "CA_CB_CG": 112.458596555944, - "OD1_CG_OD2": 118.458478659692 - } -}, -{ - "pk": 71, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.558864696234, - "CB_CG_OD1": 118.499150637593, - "CG_OD2": 1.25653137071988, - "CB_CG": 1.48114927801011, - "CG_OD1": 1.25388833908976, - "CA_CB_CG": 112.981947213416, - "OD1_CG_OD2": 119.898241586117 - } -}, -{ - "pk": 72, + "pk": 64, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.585482877241, @@ -9185,7 +7663,7 @@ } }, { - "pk": 73, + "pk": 65, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.530461831729, @@ -9198,7 +7676,7 @@ } }, { - "pk": 74, + "pk": 66, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.848646777147, @@ -9211,59 +7689,7 @@ } }, { - "pk": 75, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.897273199299, - "CB_CG_OD1": 117.837507023148, - "CG_OD2": 1.25470682418063, - "CB_CG": 1.50132601948296, - "CG_OD1": 1.24599695349476, - "CA_CB_CG": 112.52693291606, - "OD1_CG_OD2": 120.264325755913 - } -}, -{ - "pk": 76, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.211437182192, - "CB_CG_OD1": 121.744059297714, - "CG_OD2": 1.24741932265766, - "CB_CG": 1.516759262414, - "CG_OD1": 1.23209260157548, - "CA_CB_CG": 114.403718162726, - "OD1_CG_OD2": 118.040721751008 - } -}, -{ - "pk": 77, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.387693080679, - "CB_CG_OD1": 118.717115877389, - "CG_OD2": 1.24664382151771, - "CB_CG": 1.52106439728917, - "CG_OD1": 1.24048134507104, - "CA_CB_CG": 112.69361565238, - "OD1_CG_OD2": 117.894209581528 - } -}, -{ - "pk": 78, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.495217790109, - "CB_CG_OD1": 119.812887149586, - "CG_OD2": 1.24836311078311, - "CB_CG": 1.52581754252129, - "CG_OD1": 1.25273369807255, - "CA_CB_CG": 112.958511582165, - "OD1_CG_OD2": 118.690345124542 - } -}, -{ - "pk": 79, + "pk": 67, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.248739077422, @@ -9276,7 +7702,7 @@ } }, { - "pk": 80, + "pk": 68, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.183392216758, @@ -9289,59 +7715,7 @@ } }, { - "pk": 81, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.400269796133, - "CB_CG_OD1": 119.440063545273, - "CG_OD2": 1.2450248585638, - "CB_CG": 1.51052413536405, - "CG_OD1": 1.25261797329753, - "CA_CB_CG": 112.751431827735, - "OD1_CG_OD2": 119.154431984944 - } -}, -{ - "pk": 82, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.056265037121, - "CB_CG_OD1": 119.296625160493, - "CG_OD2": 1.25941668083979, - "CB_CG": 1.5195814935482, - "CG_OD1": 1.24163227192469, - "CA_CB_CG": 113.461356567132, - "OD1_CG_OD2": 118.64710751197 - } -}, -{ - "pk": 83, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.063563906071, - "CB_CG_OD1": 118.945089686841, - "CG_OD2": 1.2447233544936, - "CB_CG": 1.51491639330743, - "CG_OD1": 1.24571660893761, - "CA_CB_CG": 112.442054625672, - "OD1_CG_OD2": 117.990592231856 - } -}, -{ - "pk": 84, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.888891050871, - "CB_CG_OD1": 117.730270216247, - "CG_OD2": 1.24248067588268, - "CB_CG": 1.49594706122606, - "CG_OD1": 1.25091756890368, - "CA_CB_CG": 111.825741097474, - "OD1_CG_OD2": 119.380683325798 - } -}, -{ - "pk": 85, + "pk": 69, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.262869077175, @@ -9354,7 +7728,7 @@ } }, { - "pk": 86, + "pk": 70, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.747398059111, @@ -9367,7 +7741,7 @@ } }, { - "pk": 87, + "pk": 71, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.548229583041, @@ -9380,7 +7754,7 @@ } }, { - "pk": 88, + "pk": 72, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.719301837127, @@ -9393,33 +7767,7 @@ } }, { - "pk": 89, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.822701818654, - "CB_CG_OD1": 117.582022669019, - "CG_OD2": 1.25708431802126, - "CB_CG": 1.50368497630363, - "CG_OD1": 1.23710681096597, - "CA_CB_CG": 111.987977901726, - "OD1_CG_OD2": 118.508878266462 - } -}, -{ - "pk": 90, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 119.567747427054, - "CB_CG_OD1": 118.862879046115, - "CG_OD2": 1.23545506788592, - "CB_CG": 1.49214568855516, - "CG_OD1": 1.27437291660257, - "CA_CB_CG": 110.765363968156, - "OD1_CG_OD2": 121.372570616897 - } -}, -{ - "pk": 91, + "pk": 73, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.04795248311, @@ -9432,7 +7780,7 @@ } }, { - "pk": 92, + "pk": 74, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.067956895864, @@ -9445,7 +7793,7 @@ } }, { - "pk": 93, + "pk": 75, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.666916073379, @@ -9458,7 +7806,7 @@ } }, { - "pk": 94, + "pk": 76, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.062463947518, @@ -9471,46 +7819,7 @@ } }, { - "pk": 95, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.895525889635, - "CB_CG_OD1": 120.84113365006, - "CG_OD2": 1.23692088552766, - "CB_CG": 1.51882119121995, - "CG_OD1": 1.25757994614172, - "CA_CB_CG": 112.579351617005, - "OD1_CG_OD2": 118.257576180173 - } -}, -{ - "pk": 96, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.83778873055, - "CB_CG_OD1": 117.544501108571, - "CG_OD2": 1.25942164286455, - "CB_CG": 1.50350618895834, - "CG_OD1": 1.25609424068663, - "CA_CB_CG": 111.914490136187, - "OD1_CG_OD2": 119.617710033528 - } -}, -{ - "pk": 97, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.104059352243, - "CB_CG_OD1": 121.377723262061, - "CG_OD2": 1.24057706852693, - "CB_CG": 1.50729685503761, - "CG_OD1": 1.24536882172472, - "CA_CB_CG": 112.647436880702, - "OD1_CG_OD2": 117.50092986246 - } -}, -{ - "pk": 98, + "pk": 77, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.627719096122, @@ -9523,7 +7832,7 @@ } }, { - "pk": 99, + "pk": 78, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.160416218739, @@ -9536,46 +7845,7 @@ } }, { - "pk": 100, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 119.986453852346, - "CB_CG_OD1": 122.282359489285, - "CG_OD2": 1.25612790252731, - "CB_CG": 1.52173721535609, - "CG_OD1": 1.25011554574034, - "CA_CB_CG": 114.120324798592, - "OD1_CG_OD2": 117.73048842029 - } -}, -{ - "pk": 101, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.494113445178, - "CB_CG_OD1": 118.98722895204, - "CG_OD2": 1.25876586162906, - "CB_CG": 1.52652746915734, - "CG_OD1": 1.26465415407449, - "CA_CB_CG": 112.367664524431, - "OD1_CG_OD2": 118.517544328923 - } -}, -{ - "pk": 102, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 124.466307459801, - "CB_CG_OD1": 117.232286121171, - "CG_OD2": 1.26272741568608, - "CB_CG": 1.52223896204273, - "CG_OD1": 1.23854168484836, - "CA_CB_CG": 112.441000346004, - "OD1_CG_OD2": 118.300805486523 - } -}, -{ - "pk": 103, + "pk": 79, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 120.136210752791, @@ -9588,7 +7858,7 @@ } }, { - "pk": 104, + "pk": 80, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.393242021703, @@ -9601,7 +7871,7 @@ } }, { - "pk": 105, + "pk": 81, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.309847921214, @@ -9614,33 +7884,7 @@ } }, { - "pk": 106, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.565076997556, - "CB_CG_OD1": 121.453203741991, - "CG_OD2": 1.24747388432515, - "CB_CG": 1.50719783929841, - "CG_OD1": 1.25520743148171, - "CA_CB_CG": 112.899205634204, - "OD1_CG_OD2": 117.951968275608 - } -}, -{ - "pk": 107, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.098218234194, - "CB_CG_OD1": 119.624074793669, - "CG_OD2": 1.26368153514303, - "CB_CG": 1.51261827736743, - "CG_OD1": 1.25876439101322, - "CA_CB_CG": 112.875499570005, - "OD1_CG_OD2": 118.277706907387 - } -}, -{ - "pk": 108, + "pk": 82, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.209011150071, @@ -9653,20 +7897,7 @@ } }, { - "pk": 109, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.694282554509, - "CB_CG_OD1": 120.252626593575, - "CG_OD2": 1.23212433574235, - "CB_CG": 1.51597927979781, - "CG_OD1": 1.24183635898169, - "CA_CB_CG": 113.335516471259, - "OD1_CG_OD2": 119.052328274553 - } -}, -{ - "pk": 110, + "pk": 83, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.229612540184, @@ -9679,7 +7910,7 @@ } }, { - "pk": 111, + "pk": 84, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.723715941624, @@ -9692,7 +7923,7 @@ } }, { - "pk": 112, + "pk": 85, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.799008353367, @@ -9705,7 +7936,7 @@ } }, { - "pk": 113, + "pk": 86, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.634945464145, @@ -9718,46 +7949,7 @@ } }, { - "pk": 114, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.150137523659, - "CB_CG_OD1": 120.527188741269, - "CG_OD2": 1.26438394942464, - "CB_CG": 1.51692931091009, - "CG_OD1": 1.25646836819499, - "CA_CB_CG": 114.282770667806, - "OD1_CG_OD2": 119.288913669425 - } -}, -{ - "pk": 115, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.863965570023, - "CB_CG_OD1": 119.551079852368, - "CG_OD2": 1.2531646861352, - "CB_CG": 1.50823230753238, - "CG_OD1": 1.26080095095411, - "CA_CB_CG": 113.310301512352, - "OD1_CG_OD2": 118.584796718722 - } -}, -{ - "pk": 116, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.141473434505, - "CB_CG_OD1": 119.673586951665, - "CG_OD2": 1.24784622496221, - "CB_CG": 1.49776234102588, - "CG_OD1": 1.26130938335331, - "CA_CB_CG": 112.513995489189, - "OD1_CG_OD2": 119.18493215699 - } -}, -{ - "pk": 117, + "pk": 87, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.791545410611, @@ -9770,20 +7962,7 @@ } }, { - "pk": 118, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 119.288590522382, - "CB_CG_OD1": 121.108409749135, - "CG_OD2": 1.23324613577683, - "CB_CG": 1.49815601092468, - "CG_OD1": 1.25842000084935, - "CA_CB_CG": 113.235375381953, - "OD1_CG_OD2": 119.597582439162 - } -}, -{ - "pk": 119, + "pk": 88, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.165039539254, @@ -9796,7 +7975,7 @@ } }, { - "pk": 120, + "pk": 89, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.314486234112, @@ -9809,20 +7988,7 @@ } }, { - "pk": 121, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.339636290178, - "CB_CG_OD1": 119.346771349017, - "CG_OD2": 1.24907934312727, - "CB_CG": 1.53321274292381, - "CG_OD1": 1.24980762055395, - "CA_CB_CG": 112.562643736223, - "OD1_CG_OD2": 117.31043041999 - } -}, -{ - "pk": 122, + "pk": 90, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.328042515738, @@ -9835,7 +8001,7 @@ } }, { - "pk": 123, + "pk": 91, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.85319748796, @@ -9848,20 +8014,7 @@ } }, { - "pk": 124, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.07548257998, - "CB_CG_OD1": 118.583738997798, - "CG_OD2": 1.25454968031383, - "CB_CG": 1.4962662140777, - "CG_OD1": 1.24478185636713, - "CA_CB_CG": 113.322869055326, - "OD1_CG_OD2": 119.337719754366 - } -}, -{ - "pk": 125, + "pk": 92, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.410841290104, @@ -9874,7 +8027,7 @@ } }, { - "pk": 126, + "pk": 93, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.496728414903, @@ -9887,7 +8040,7 @@ } }, { - "pk": 127, + "pk": 94, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.282263552064, @@ -9900,7 +8053,7 @@ } }, { - "pk": 128, + "pk": 95, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.907521945276, @@ -9913,33 +8066,7 @@ } }, { - "pk": 129, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.740502951207, - "CB_CG_OD1": 121.351933393512, - "CG_OD2": 1.23614594145905, - "CB_CG": 1.53120463105699, - "CG_OD1": 1.2440171023023, - "CA_CB_CG": 113.435402033476, - "OD1_CG_OD2": 117.888998123926 - } -}, -{ - "pk": 130, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.934331294061, - "CB_CG_OD1": 119.39888171507, - "CG_OD2": 1.24769126512028, - "CB_CG": 1.49959760393918, - "CG_OD1": 1.24794290171738, - "CA_CB_CG": 113.169954845427, - "OD1_CG_OD2": 118.664391481665 - } -}, -{ - "pk": 131, + "pk": 96, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.485959983611, @@ -9952,7 +8079,7 @@ } }, { - "pk": 132, + "pk": 97, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.516325754213, @@ -9965,7 +8092,7 @@ } }, { - "pk": 133, + "pk": 98, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.138520797961, @@ -9978,46 +8105,7 @@ } }, { - "pk": 134, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.626332387232, - "CB_CG_OD1": 120.435319704959, - "CG_OD2": 1.25576146976466, - "CB_CG": 1.5465774747321, - "CG_OD1": 1.26140539494876, - "CA_CB_CG": 113.591445730881, - "OD1_CG_OD2": 117.882119101636 - } -}, -{ - "pk": 135, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.780452107211, - "CB_CG_OD1": 118.592095790086, - "CG_OD2": 1.2491157366012, - "CB_CG": 1.51997452206378, - "CG_OD1": 1.25004750970428, - "CA_CB_CG": 112.604770349672, - "OD1_CG_OD2": 118.626091481099 - } -}, -{ - "pk": 136, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.441671775475, - "CB_CG_OD1": 121.196941594988, - "CG_OD2": 1.23701768404622, - "CB_CG": 1.51716646501038, - "CG_OD1": 1.27086806441085, - "CA_CB_CG": 112.9559405469, - "OD1_CG_OD2": 118.360241786837 - } -}, -{ - "pk": 137, + "pk": 99, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.518872916351, @@ -10030,46 +8118,7 @@ } }, { - "pk": 138, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.930066009828, - "CB_CG_OD1": 119.24335202741, - "CG_OD2": 1.24376965401302, - "CB_CG": 1.48147141379712, - "CG_OD1": 1.2514086041654, - "CA_CB_CG": 113.070710192179, - "OD1_CG_OD2": 119.815835949828 - } -}, -{ - "pk": 139, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.896118251444, - "CB_CG_OD1": 119.903031258855, - "CG_OD2": 1.25417548573772, - "CB_CG": 1.51874944000873, - "CG_OD1": 1.24548239428971, - "CA_CB_CG": 113.331110188576, - "OD1_CG_OD2": 118.185053907018 - } -}, -{ - "pk": 140, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.137326821019, - "CB_CG_OD1": 119.863229483217, - "CG_OD2": 1.25134484035886, - "CB_CG": 1.50336042763448, - "CG_OD1": 1.25545242166692, - "CA_CB_CG": 113.203509287814, - "OD1_CG_OD2": 118.980381390352 - } -}, -{ - "pk": 141, + "pk": 100, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.789639085192, @@ -10082,20 +8131,7 @@ } }, { - "pk": 142, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.800714032943, - "CB_CG_OD1": 116.090852619963, - "CG_OD2": 1.26607292749953, - "CB_CG": 1.49631788030831, - "CG_OD1": 1.25101893842947, - "CA_CB_CG": 111.976951764068, - "OD1_CG_OD2": 120.103097849898 - } -}, -{ - "pk": 143, + "pk": 101, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.569472449332, @@ -10108,46 +8144,7 @@ } }, { - "pk": 144, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.485592211977, - "CB_CG_OD1": 119.553628819694, - "CG_OD2": 1.23520293876325, - "CB_CG": 1.50719963358355, - "CG_OD1": 1.24359850784716, - "CA_CB_CG": 112.063478398144, - "OD1_CG_OD2": 116.938598195642 - } -}, -{ - "pk": 145, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.420927235663, - "CB_CG_OD1": 119.053838450325, - "CG_OD2": 1.25587423318232, - "CB_CG": 1.5073929874379, - "CG_OD1": 1.24791621583887, - "CA_CB_CG": 113.598567611218, - "OD1_CG_OD2": 119.51331404081 - } -}, -{ - "pk": 146, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.904888524626, - "CB_CG_OD1": 118.748891403981, - "CG_OD2": 1.25782106928358, - "CB_CG": 1.51975081938283, - "CG_OD1": 1.25565075650574, - "CA_CB_CG": 112.473711581087, - "OD1_CG_OD2": 119.340953030068 - } -}, -{ - "pk": 147, + "pk": 102, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.689048509403, @@ -10160,7 +8157,7 @@ } }, { - "pk": 148, + "pk": 103, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.961398062096, @@ -10173,20 +8170,7 @@ } }, { - "pk": 149, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.471412982327, - "CB_CG_OD1": 117.71784345553, - "CG_OD2": 1.24729683760268, - "CB_CG": 1.49724879365167, - "CG_OD1": 1.24964069421861, - "CA_CB_CG": 111.80175051216, - "OD1_CG_OD2": 119.789570096825 - } -}, -{ - "pk": 150, + "pk": 104, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.667040890449, @@ -10199,33 +8183,7 @@ } }, { - "pk": 151, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 121.193199565682, - "CB_CG_OD1": 119.705720897965, - "CG_OD2": 1.25308566170179, - "CB_CG": 1.52522086710234, - "CG_OD1": 1.24404697748785, - "CA_CB_CG": 113.404809020507, - "OD1_CG_OD2": 119.090782433037 - } -}, -{ - "pk": 152, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 120.890713016704, - "CB_CG_OD1": 120.280750456782, - "CG_OD2": 1.24826018115553, - "CB_CG": 1.50627214419286, - "CG_OD1": 1.26961769270677, - "CA_CB_CG": 113.046389628592, - "OD1_CG_OD2": 118.790057888618 - } -}, -{ - "pk": 153, + "pk": 105, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.300977005354, @@ -10238,7 +8196,7 @@ } }, { - "pk": 154, + "pk": 106, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.945582635703, @@ -10251,7 +8209,7 @@ } }, { - "pk": 155, + "pk": 107, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.596549547466, @@ -10264,20 +8222,7 @@ } }, { - "pk": 156, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.246195339586, - "CB_CG_OD1": 117.894803816508, - "CG_OD2": 1.24363888144918, - "CB_CG": 1.50044765391565, - "CG_OD1": 1.25052054233514, - "CA_CB_CG": 111.722009872663, - "OD1_CG_OD2": 118.854060095168 - } -}, -{ - "pk": 157, + "pk": 108, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.838276464941, @@ -10290,7 +8235,7 @@ } }, { - "pk": 158, + "pk": 109, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.415241512002, @@ -10303,20 +8248,7 @@ } }, { - "pk": 159, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 123.744165889124, - "CB_CG_OD1": 118.273633872937, - "CG_OD2": 1.25254501808418, - "CB_CG": 1.52362231882228, - "CG_OD1": 1.24819516752454, - "CA_CB_CG": 112.277301096545, - "OD1_CG_OD2": 117.980442624149 - } -}, -{ - "pk": 160, + "pk": 110, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.634380470972, @@ -10329,46 +8261,7 @@ } }, { - "pk": 161, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.342895091653, - "CB_CG_OD1": 118.217388400636, - "CG_OD2": 1.2478179806863, - "CB_CG": 1.50941739280181, - "CG_OD1": 1.26998112750744, - "CA_CB_CG": 111.874206796196, - "OD1_CG_OD2": 119.43958814851 - } -}, -{ - "pk": 162, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 122.325579422905, - "CB_CG_OD1": 119.144287224309, - "CG_OD2": 1.2556200949028, - "CB_CG": 1.5174471084905, - "CG_OD1": 1.25008888674453, - "CA_CB_CG": 112.797052534579, - "OD1_CG_OD2": 118.529904908486 - } -}, -{ - "pk": 163, - "model": "pgd_core.sidechain_asp", - "fields": { - "CB_CG_OD2": 124.008303275381, - "CB_CG_OD1": 118.084559798585, - "CG_OD2": 1.25717348385927, - "CB_CG": 1.5230955959784, - "CG_OD1": 1.23205252290833, - "CA_CB_CG": 113.027873328355, - "OD1_CG_OD2": 117.891160444453 - } -}, -{ - "pk": 164, + "pk": 111, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.560975660396, @@ -10381,7 +8274,7 @@ } }, { - "pk": 165, + "pk": 112, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.010348831708, @@ -10394,7 +8287,7 @@ } }, { - "pk": 166, + "pk": 113, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.209704150025, @@ -10407,7 +8300,7 @@ } }, { - "pk": 167, + "pk": 114, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.785934017464, @@ -10420,7 +8313,7 @@ } }, { - "pk": 168, + "pk": 115, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 116.815376337268, @@ -10433,7 +8326,7 @@ } }, { - "pk": 169, + "pk": 116, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.51741509454, @@ -10446,7 +8339,7 @@ } }, { - "pk": 170, + "pk": 117, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.131469311216, @@ -10459,7 +8352,7 @@ } }, { - "pk": 171, + "pk": 118, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.51956930111, @@ -10472,7 +8365,7 @@ } }, { - "pk": 172, + "pk": 119, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.218769248404, @@ -10485,7 +8378,7 @@ } }, { - "pk": 173, + "pk": 120, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.737432308878, @@ -10498,7 +8391,7 @@ } }, { - "pk": 174, + "pk": 121, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.890552852638, @@ -10511,7 +8404,7 @@ } }, { - "pk": 175, + "pk": 122, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.927316223032, @@ -10524,7 +8417,7 @@ } }, { - "pk": 176, + "pk": 123, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.137945477077, @@ -10537,7 +8430,7 @@ } }, { - "pk": 177, + "pk": 124, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.62667471976, @@ -10550,7 +8443,7 @@ } }, { - "pk": 178, + "pk": 125, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.623469528237, @@ -10563,7 +8456,7 @@ } }, { - "pk": 179, + "pk": 126, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.628589044882, @@ -10576,7 +8469,7 @@ } }, { - "pk": 180, + "pk": 127, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.539256169328, @@ -10589,7 +8482,7 @@ } }, { - "pk": 181, + "pk": 128, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.727770626686, @@ -10602,7 +8495,7 @@ } }, { - "pk": 182, + "pk": 129, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.644915016229, @@ -10615,7 +8508,7 @@ } }, { - "pk": 183, + "pk": 130, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.095269371717, @@ -10628,7 +8521,7 @@ } }, { - "pk": 184, + "pk": 131, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.091778892366, @@ -10641,7 +8534,7 @@ } }, { - "pk": 185, + "pk": 132, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.864373877764, @@ -10654,7 +8547,7 @@ } }, { - "pk": 186, + "pk": 133, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.032324173538, @@ -10667,7 +8560,7 @@ } }, { - "pk": 187, + "pk": 134, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.953195039929, @@ -10680,7 +8573,7 @@ } }, { - "pk": 188, + "pk": 135, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.562777331503, @@ -10693,7 +8586,7 @@ } }, { - "pk": 189, + "pk": 136, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.404833622674, @@ -10706,7 +8599,7 @@ } }, { - "pk": 190, + "pk": 137, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.697015741366, @@ -10719,7 +8612,7 @@ } }, { - "pk": 191, + "pk": 138, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.905322570467, @@ -10732,7 +8625,7 @@ } }, { - "pk": 192, + "pk": 139, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.341880593128, @@ -10745,7 +8638,7 @@ } }, { - "pk": 193, + "pk": 140, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.000860273099, @@ -10758,7 +8651,7 @@ } }, { - "pk": 194, + "pk": 141, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.210073110575, @@ -10771,7 +8664,7 @@ } }, { - "pk": 195, + "pk": 142, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.633226532086, @@ -10784,7 +8677,7 @@ } }, { - "pk": 196, + "pk": 143, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.501108911904, @@ -10797,7 +8690,7 @@ } }, { - "pk": 197, + "pk": 144, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.432957886484, @@ -10810,7 +8703,7 @@ } }, { - "pk": 198, + "pk": 145, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.699009557447, @@ -10823,7 +8716,7 @@ } }, { - "pk": 199, + "pk": 146, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.204430339462, @@ -10836,7 +8729,7 @@ } }, { - "pk": 200, + "pk": 147, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.059935641759, @@ -10849,7 +8742,7 @@ } }, { - "pk": 201, + "pk": 148, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.761015952444, @@ -10862,7 +8755,7 @@ } }, { - "pk": 202, + "pk": 149, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.768474982471, @@ -10875,7 +8768,7 @@ } }, { - "pk": 203, + "pk": 150, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.218468926738, @@ -10888,7 +8781,7 @@ } }, { - "pk": 204, + "pk": 151, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.854734290686, @@ -10901,7 +8794,7 @@ } }, { - "pk": 205, + "pk": 152, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.983173410811, @@ -10914,7 +8807,7 @@ } }, { - "pk": 206, + "pk": 153, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.431732225901, @@ -10927,7 +8820,7 @@ } }, { - "pk": 207, + "pk": 154, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.998988694356, @@ -10940,7 +8833,7 @@ } }, { - "pk": 208, + "pk": 155, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.536021869011, @@ -10953,7 +8846,7 @@ } }, { - "pk": 209, + "pk": 156, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.561270391795, @@ -10966,7 +8859,7 @@ } }, { - "pk": 210, + "pk": 157, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.778258585749, @@ -10979,7 +8872,7 @@ } }, { - "pk": 211, + "pk": 158, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.597871029636, @@ -10992,7 +8885,7 @@ } }, { - "pk": 212, + "pk": 159, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.595311639527, @@ -11005,7 +8898,7 @@ } }, { - "pk": 213, + "pk": 160, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.511188655044, @@ -11018,7 +8911,7 @@ } }, { - "pk": 214, + "pk": 161, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.496072088837, @@ -11031,7 +8924,7 @@ } }, { - "pk": 215, + "pk": 162, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.320570908481, @@ -11044,7 +8937,7 @@ } }, { - "pk": 216, + "pk": 163, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.105586739848, @@ -11057,7 +8950,7 @@ } }, { - "pk": 217, + "pk": 164, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.947790659925, @@ -11070,7 +8963,7 @@ } }, { - "pk": 218, + "pk": 165, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.731827548715, @@ -11083,7 +8976,7 @@ } }, { - "pk": 219, + "pk": 166, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.274299623852, @@ -11096,7 +8989,7 @@ } }, { - "pk": 220, + "pk": 167, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.313830942939, @@ -11109,7 +9002,7 @@ } }, { - "pk": 221, + "pk": 168, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.045904592781, @@ -11122,7 +9015,7 @@ } }, { - "pk": 222, + "pk": 169, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.167684156799, @@ -11135,7 +9028,7 @@ } }, { - "pk": 223, + "pk": 170, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.077152937294, @@ -11148,7 +9041,7 @@ } }, { - "pk": 224, + "pk": 171, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.853664808385, @@ -11161,7 +9054,7 @@ } }, { - "pk": 225, + "pk": 172, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.03176743229, @@ -11174,7 +9067,7 @@ } }, { - "pk": 226, + "pk": 173, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.963012950567, @@ -11187,7 +9080,7 @@ } }, { - "pk": 227, + "pk": 174, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.300709477679, @@ -11200,7 +9093,7 @@ } }, { - "pk": 228, + "pk": 175, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.736966274278, @@ -11213,7 +9106,7 @@ } }, { - "pk": 229, + "pk": 176, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.865525837124, @@ -11226,7 +9119,7 @@ } }, { - "pk": 230, + "pk": 177, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.744713170871, @@ -11239,7 +9132,7 @@ } }, { - "pk": 231, + "pk": 178, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.458478421745, @@ -11252,7 +9145,7 @@ } }, { - "pk": 232, + "pk": 179, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.111897040453, @@ -11265,7 +9158,7 @@ } }, { - "pk": 233, + "pk": 180, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.76782352488, @@ -11278,7 +9171,7 @@ } }, { - "pk": 234, + "pk": 181, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.888468473501, @@ -11291,7 +9184,7 @@ } }, { - "pk": 235, + "pk": 182, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.481524006063, @@ -11304,7 +9197,7 @@ } }, { - "pk": 236, + "pk": 183, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.952497574992, @@ -11317,7 +9210,7 @@ } }, { - "pk": 237, + "pk": 184, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.942684701801, @@ -11330,7 +9223,7 @@ } }, { - "pk": 238, + "pk": 185, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.395515813446, @@ -11343,7 +9236,7 @@ } }, { - "pk": 239, + "pk": 186, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.381183083246, @@ -11356,7 +9249,7 @@ } }, { - "pk": 240, + "pk": 187, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.652111820986, @@ -11369,7 +9262,7 @@ } }, { - "pk": 241, + "pk": 188, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.072034189365, @@ -11382,7 +9275,7 @@ } }, { - "pk": 242, + "pk": 189, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.201161694018, @@ -11395,7 +9288,7 @@ } }, { - "pk": 243, + "pk": 190, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.424581350276, @@ -11408,7 +9301,7 @@ } }, { - "pk": 244, + "pk": 191, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.603534158273, @@ -11421,7 +9314,7 @@ } }, { - "pk": 245, + "pk": 192, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.709026156168, @@ -11434,7 +9327,7 @@ } }, { - "pk": 246, + "pk": 193, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.415816859893, @@ -11447,7 +9340,7 @@ } }, { - "pk": 247, + "pk": 194, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.569908822603, @@ -11460,7 +9353,7 @@ } }, { - "pk": 248, + "pk": 195, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.425049132906, @@ -11473,7 +9366,7 @@ } }, { - "pk": 249, + "pk": 196, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.937801395331, @@ -11486,7 +9379,7 @@ } }, { - "pk": 250, + "pk": 197, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.370439651929, @@ -11499,7 +9392,7 @@ } }, { - "pk": 251, + "pk": 198, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.682872965979, @@ -11512,7 +9405,7 @@ } }, { - "pk": 252, + "pk": 199, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.405918172598, @@ -11525,7 +9418,7 @@ } }, { - "pk": 253, + "pk": 200, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.357617504938, @@ -11538,7 +9431,7 @@ } }, { - "pk": 254, + "pk": 201, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.718505190041, @@ -11551,7 +9444,7 @@ } }, { - "pk": 255, + "pk": 202, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.678560634371, @@ -11564,7 +9457,7 @@ } }, { - "pk": 256, + "pk": 203, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.425106214073, @@ -11577,7 +9470,7 @@ } }, { - "pk": 257, + "pk": 204, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.578193087239, @@ -11590,7 +9483,7 @@ } }, { - "pk": 258, + "pk": 205, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.197955653607, @@ -11603,7 +9496,7 @@ } }, { - "pk": 259, + "pk": 206, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.010116515536, @@ -11616,7 +9509,7 @@ } }, { - "pk": 260, + "pk": 207, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.321774990655, @@ -11629,7 +9522,7 @@ } }, { - "pk": 261, + "pk": 208, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.403609810575, @@ -11642,7 +9535,7 @@ } }, { - "pk": 262, + "pk": 209, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.460510512333, @@ -11655,7 +9548,7 @@ } }, { - "pk": 263, + "pk": 210, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.828064340233, @@ -11668,7 +9561,7 @@ } }, { - "pk": 264, + "pk": 211, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.223100609791, @@ -11681,7 +9574,7 @@ } }, { - "pk": 265, + "pk": 212, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.749939362674, @@ -11694,7 +9587,7 @@ } }, { - "pk": 266, + "pk": 213, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.063550265327, @@ -11707,7 +9600,7 @@ } }, { - "pk": 267, + "pk": 214, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.519800682688, @@ -11720,7 +9613,7 @@ } }, { - "pk": 268, + "pk": 215, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.222987755831, @@ -11733,7 +9626,7 @@ } }, { - "pk": 269, + "pk": 216, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.855035119185, @@ -11746,7 +9639,7 @@ } }, { - "pk": 270, + "pk": 217, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.614948391601, @@ -11759,7 +9652,7 @@ } }, { - "pk": 271, + "pk": 218, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.388707014972, @@ -11772,7 +9665,7 @@ } }, { - "pk": 272, + "pk": 219, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.581560188891, @@ -11785,7 +9678,7 @@ } }, { - "pk": 273, + "pk": 220, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.012371175005, @@ -11798,7 +9691,7 @@ } }, { - "pk": 274, + "pk": 221, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.143725966583, @@ -11811,7 +9704,7 @@ } }, { - "pk": 275, + "pk": 222, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.304694898189, @@ -11824,7 +9717,7 @@ } }, { - "pk": 276, + "pk": 223, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.056946750682, @@ -11837,7 +9730,7 @@ } }, { - "pk": 277, + "pk": 224, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.511861818252, @@ -11850,7 +9743,7 @@ } }, { - "pk": 278, + "pk": 225, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.801764291612, @@ -11863,7 +9756,7 @@ } }, { - "pk": 279, + "pk": 226, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.320612852939, @@ -11876,7 +9769,7 @@ } }, { - "pk": 280, + "pk": 227, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.157523729605, @@ -11889,7 +9782,7 @@ } }, { - "pk": 281, + "pk": 228, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.668214222872, @@ -11902,7 +9795,7 @@ } }, { - "pk": 282, + "pk": 229, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.119653401144, @@ -11915,7 +9808,7 @@ } }, { - "pk": 283, + "pk": 230, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.028974529439, @@ -11928,7 +9821,7 @@ } }, { - "pk": 284, + "pk": 231, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.289953414815, @@ -11941,7 +9834,7 @@ } }, { - "pk": 285, + "pk": 232, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.617050353305, @@ -11954,7 +9847,7 @@ } }, { - "pk": 286, + "pk": 233, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.729499589419, @@ -11967,7 +9860,7 @@ } }, { - "pk": 287, + "pk": 234, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.254697840833, @@ -11980,7 +9873,7 @@ } }, { - "pk": 288, + "pk": 235, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.657707161649, @@ -11993,7 +9886,7 @@ } }, { - "pk": 289, + "pk": 236, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.703818589585, @@ -12006,7 +9899,7 @@ } }, { - "pk": 290, + "pk": 237, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.428475276798, @@ -12019,7 +9912,7 @@ } }, { - "pk": 291, + "pk": 238, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.706714508914, @@ -12032,7 +9925,7 @@ } }, { - "pk": 292, + "pk": 239, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.191658290892, @@ -12045,7 +9938,7 @@ } }, { - "pk": 293, + "pk": 240, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.306350607588, @@ -12058,7 +9951,7 @@ } }, { - "pk": 294, + "pk": 241, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.489532967779, @@ -12071,7 +9964,7 @@ } }, { - "pk": 295, + "pk": 242, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.17763281695, @@ -12084,7 +9977,7 @@ } }, { - "pk": 296, + "pk": 243, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.199161488441, @@ -12097,7 +9990,7 @@ } }, { - "pk": 297, + "pk": 244, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.495535921183, @@ -12110,7 +10003,7 @@ } }, { - "pk": 298, + "pk": 245, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.945336725154, @@ -12123,7 +10016,7 @@ } }, { - "pk": 299, + "pk": 246, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 119.104400766588, @@ -12136,7 +10029,7 @@ } }, { - "pk": 300, + "pk": 247, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.812913536307, @@ -12149,7 +10042,7 @@ } }, { - "pk": 301, + "pk": 248, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.42045299044, @@ -12162,7 +10055,7 @@ } }, { - "pk": 302, + "pk": 249, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.761195746266, @@ -12175,7 +10068,7 @@ } }, { - "pk": 303, + "pk": 250, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.567430121205, @@ -12188,7 +10081,7 @@ } }, { - "pk": 304, + "pk": 251, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.849122326078, @@ -12201,7 +10094,7 @@ } }, { - "pk": 305, + "pk": 252, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.691725204848, @@ -12214,7 +10107,7 @@ } }, { - "pk": 306, + "pk": 253, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.054422466362, @@ -12227,7 +10120,7 @@ } }, { - "pk": 307, + "pk": 254, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.409221877629, @@ -12240,7 +10133,7 @@ } }, { - "pk": 308, + "pk": 255, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.302461853557, @@ -12253,7 +10146,7 @@ } }, { - "pk": 309, + "pk": 256, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.535133152841, @@ -12266,7 +10159,7 @@ } }, { - "pk": 310, + "pk": 257, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.554665816218, @@ -12279,7 +10172,7 @@ } }, { - "pk": 311, + "pk": 258, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.293294994199, @@ -12292,7 +10185,7 @@ } }, { - "pk": 312, + "pk": 259, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.424763504334, @@ -12305,7 +10198,7 @@ } }, { - "pk": 313, + "pk": 260, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 117.690350993138, @@ -12318,7 +10211,7 @@ } }, { - "pk": 314, + "pk": 261, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.706872304612, @@ -12331,7 +10224,7 @@ } }, { - "pk": 315, + "pk": 262, "model": "pgd_core.sidechain_asp", "fields": { "CB_CG_OD2": 118.51051181601, @@ -12379,200 +10272,200 @@ "pk": 5, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.78488223791619, - "CA_CB_SG": 112.163150119194 + "CB_SG": 1.81073606313393, + "CA_CB_SG": 116.827344982554 } }, { "pk": 6, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.82840905520123, - "CA_CB_SG": 114.583636366588 + "CB_SG": 1.79236219161018, + "CA_CB_SG": 117.579473786145 } }, { "pk": 7, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.82108098449887, - "CA_CB_SG": 116.381686338484 + "CB_SG": 1.80922038315873, + "CA_CB_SG": 114.30621923439 } }, { "pk": 8, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.79777962687984, - "CA_CB_SG": 112.642783697272 + "CB_SG": 1.80786442118794, + "CA_CB_SG": 112.251733265676 } }, { "pk": 9, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.80297081142149, - "CA_CB_SG": 112.618455808443 + "CB_SG": 1.79439523236489, + "CA_CB_SG": 113.976983683279 } }, { "pk": 10, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.80617842185177, - "CA_CB_SG": 115.474074883366 + "CB_SG": 1.79933474738422, + "CA_CB_SG": 113.147640888909 } }, { "pk": 11, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.77926834927201, - "CA_CB_SG": 113.542949071778 + "CB_SG": 1.79170904787601, + "CA_CB_SG": 112.863855123757 } }, { "pk": 12, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.81412878207198, - "CA_CB_SG": 111.179748527391 + "CB_SG": 1.83277094858468, + "CA_CB_SG": 113.248588416551 } }, { "pk": 13, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.79732556326354, - "CA_CB_SG": 114.915205343701 + "CB_SG": 1.80739274799191, + "CA_CB_SG": 111.455860766365 } }, { "pk": 14, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.80556614712355, - "CA_CB_SG": 115.776865012999 + "CB_SG": 1.7852785557977, + "CA_CB_SG": 116.459091526778 } }, { "pk": 15, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.8131210348289, - "CA_CB_SG": 113.714339359169 + "CB_SG": 1.79343241511255, + "CA_CB_SG": 114.277542905486 } }, { "pk": 16, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.79885629041142, - "CA_CB_SG": 118.688648686937 + "CB_SG": 1.80213841229276, + "CA_CB_SG": 112.014621101581 } }, { "pk": 17, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.82501472401161, - "CA_CB_SG": 116.041152834657 + "CB_SG": 1.80569929847533, + "CA_CB_SG": 113.745080209475 } }, { "pk": 18, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.7890406590509, - "CA_CB_SG": 116.005283643062 + "CB_SG": 1.83740858919265, + "CA_CB_SG": 113.695644182526 } }, { "pk": 19, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.7979168252691, - "CA_CB_SG": 113.980315074779 + "CB_SG": 1.79732556326354, + "CA_CB_SG": 114.915205343701 } }, { "pk": 20, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.80565299334217, - "CA_CB_SG": 115.760861224759 + "CB_SG": 1.80556614712355, + "CA_CB_SG": 115.776865012999 } }, { "pk": 21, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.79460489870072, - "CA_CB_SG": 113.911825609964 + "CB_SG": 1.8131210348289, + "CA_CB_SG": 113.714339359169 } }, { "pk": 22, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.81105154484199, - "CA_CB_SG": 109.184823987235 + "CB_SG": 1.82501472401161, + "CA_CB_SG": 116.041152834657 } }, { "pk": 23, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.79888215870314, - "CA_CB_SG": 112.81206821617 + "CB_SG": 1.7890406590509, + "CA_CB_SG": 116.005283643062 } }, { "pk": 24, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.7986132853695, - "CA_CB_SG": 115.616651748488 + "CB_SG": 1.7979168252691, + "CA_CB_SG": 113.980315074779 } }, { "pk": 25, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.78160994789748, - "CA_CB_SG": 112.892013909303 + "CB_SG": 1.80565299334217, + "CA_CB_SG": 115.760861224759 } }, { "pk": 26, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.77305576083348, - "CA_CB_SG": 112.054162804815 + "CB_SG": 1.79888215870314, + "CA_CB_SG": 112.81206821617 } }, { "pk": 27, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.79388193216608, - "CA_CB_SG": 112.955232730719 + "CB_SG": 1.7986132853695, + "CA_CB_SG": 115.616651748488 } }, { "pk": 28, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.80785196802239, - "CA_CB_SG": 110.994036503033 + "CB_SG": 1.78160994789748, + "CA_CB_SG": 112.892013909303 } }, { "pk": 29, "model": "pgd_core.sidechain_cys", "fields": { - "CB_SG": 1.79994455640739, - "CA_CB_SG": 112.740848937677 + "CB_SG": 1.77305576083348, + "CA_CB_SG": 112.054162804815 } }, { @@ -12602,45 +10495,13 @@ { "pk": 33, "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.80054092021773, - "CA_CB_SG": 113.277522742251 - } -}, -{ - "pk": 34, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.79861912783982, - "CA_CB_SG": 111.536074405724 - } -}, -{ - "pk": 35, - "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80337562804804, "CA_CB_SG": 108.646684762399 } }, { - "pk": 36, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.8076031962018, - "CA_CB_SG": 112.658114312628 - } -}, -{ - "pk": 37, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.80007362659806, - "CA_CB_SG": 112.264258666601 - } -}, -{ - "pk": 38, + "pk": 34, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.69151360796226, @@ -12648,119 +10509,7 @@ } }, { - "pk": 39, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.81073606313393, - "CA_CB_SG": 116.827344982554 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.79236219161018, - "CA_CB_SG": 117.579473786145 - } -}, -{ - "pk": 41, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.80922038315873, - "CA_CB_SG": 114.30621923439 - } -}, -{ - "pk": 42, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.80786442118794, - "CA_CB_SG": 112.251733265676 - } -}, -{ - "pk": 43, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.79439523236489, - "CA_CB_SG": 113.976983683279 - } -}, -{ - "pk": 44, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.79933474738422, - "CA_CB_SG": 113.147640888909 - } -}, -{ - "pk": 45, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.79170904787601, - "CA_CB_SG": 112.863855123757 - } -}, -{ - "pk": 46, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.83277094858468, - "CA_CB_SG": 113.248588416551 - } -}, -{ - "pk": 47, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.80739274799191, - "CA_CB_SG": 111.455860766365 - } -}, -{ - "pk": 48, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.7852785557977, - "CA_CB_SG": 116.459091526778 - } -}, -{ - "pk": 49, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.79343241511255, - "CA_CB_SG": 114.277542905486 - } -}, -{ - "pk": 50, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.80213841229276, - "CA_CB_SG": 112.014621101581 - } -}, -{ - "pk": 51, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.80569929847533, - "CA_CB_SG": 113.745080209475 - } -}, -{ - "pk": 52, - "model": "pgd_core.sidechain_cys", - "fields": { - "CB_SG": 1.83740858919265, - "CA_CB_SG": 113.695644182526 - } -}, -{ - "pk": 53, + "pk": 35, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.83279009162004, @@ -12768,7 +10517,7 @@ } }, { - "pk": 54, + "pk": 36, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81218688982764, @@ -12776,7 +10525,7 @@ } }, { - "pk": 55, + "pk": 37, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80763113726865, @@ -12784,7 +10533,7 @@ } }, { - "pk": 56, + "pk": 38, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.82562457388763, @@ -12792,7 +10541,7 @@ } }, { - "pk": 57, + "pk": 39, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.79521522399164, @@ -12800,7 +10549,7 @@ } }, { - "pk": 58, + "pk": 40, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.77297306374323, @@ -12808,7 +10557,7 @@ } }, { - "pk": 59, + "pk": 41, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81817905172308, @@ -12816,7 +10565,7 @@ } }, { - "pk": 60, + "pk": 42, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80947675302923, @@ -12824,7 +10573,7 @@ } }, { - "pk": 61, + "pk": 43, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.79720083639652, @@ -12832,7 +10581,7 @@ } }, { - "pk": 62, + "pk": 44, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81402003270022, @@ -12840,7 +10589,7 @@ } }, { - "pk": 63, + "pk": 45, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.77267948760653, @@ -12848,7 +10597,7 @@ } }, { - "pk": 64, + "pk": 46, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.7857056218416, @@ -12856,7 +10605,7 @@ } }, { - "pk": 65, + "pk": 47, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81390681355891, @@ -12864,7 +10613,7 @@ } }, { - "pk": 66, + "pk": 48, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.79954478867642, @@ -12872,7 +10621,7 @@ } }, { - "pk": 67, + "pk": 49, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.84333202592831, @@ -12880,7 +10629,7 @@ } }, { - "pk": 68, + "pk": 50, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.78899924823078, @@ -12888,7 +10637,7 @@ } }, { - "pk": 69, + "pk": 51, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80031030797166, @@ -12896,7 +10645,7 @@ } }, { - "pk": 70, + "pk": 52, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.82277833041182, @@ -12904,7 +10653,7 @@ } }, { - "pk": 71, + "pk": 53, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80094112632614, @@ -12912,7 +10661,7 @@ } }, { - "pk": 72, + "pk": 54, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.79978837000063, @@ -12920,7 +10669,7 @@ } }, { - "pk": 73, + "pk": 55, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80134182240521, @@ -12928,7 +10677,7 @@ } }, { - "pk": 74, + "pk": 56, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.8206625788889, @@ -12936,7 +10685,7 @@ } }, { - "pk": 75, + "pk": 57, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.84197254847208, @@ -12944,7 +10693,7 @@ } }, { - "pk": 76, + "pk": 58, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.79333158568387, @@ -12952,7 +10701,7 @@ } }, { - "pk": 77, + "pk": 59, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.84008937277689, @@ -12960,7 +10709,7 @@ } }, { - "pk": 78, + "pk": 60, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.82381990959393, @@ -12968,7 +10717,7 @@ } }, { - "pk": 79, + "pk": 61, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.83324650671868, @@ -12976,7 +10725,7 @@ } }, { - "pk": 80, + "pk": 62, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.82757274767497, @@ -12984,7 +10733,7 @@ } }, { - "pk": 81, + "pk": 63, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81865059478331, @@ -12992,7 +10741,7 @@ } }, { - "pk": 82, + "pk": 64, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.82041179859883, @@ -13000,7 +10749,7 @@ } }, { - "pk": 83, + "pk": 65, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.78616253665413, @@ -13008,7 +10757,7 @@ } }, { - "pk": 84, + "pk": 66, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.807427379676, @@ -13016,7 +10765,7 @@ } }, { - "pk": 85, + "pk": 67, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.79654488983246, @@ -13024,7 +10773,7 @@ } }, { - "pk": 86, + "pk": 68, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.77877314911593, @@ -13032,7 +10781,7 @@ } }, { - "pk": 87, + "pk": 69, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81764015211936, @@ -13040,7 +10789,7 @@ } }, { - "pk": 88, + "pk": 70, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.84855091378216, @@ -13048,7 +10797,7 @@ } }, { - "pk": 89, + "pk": 71, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80832561658627, @@ -13056,7 +10805,7 @@ } }, { - "pk": 90, + "pk": 72, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.79063340825644, @@ -13064,7 +10813,7 @@ } }, { - "pk": 91, + "pk": 73, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80765049120394, @@ -13072,7 +10821,7 @@ } }, { - "pk": 92, + "pk": 74, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81137279095149, @@ -13080,7 +10829,7 @@ } }, { - "pk": 93, + "pk": 75, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.78578408742779, @@ -13088,7 +10837,7 @@ } }, { - "pk": 94, + "pk": 76, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.82897638120296, @@ -13096,7 +10845,7 @@ } }, { - "pk": 95, + "pk": 77, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.81917562634446, @@ -13104,7 +10853,7 @@ } }, { - "pk": 96, + "pk": 78, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.8112718011717, @@ -13112,7 +10861,7 @@ } }, { - "pk": 97, + "pk": 79, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80300852899172, @@ -13120,7 +10869,7 @@ } }, { - "pk": 98, + "pk": 80, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.77357300499564, @@ -13128,7 +10877,7 @@ } }, { - "pk": 99, + "pk": 81, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.8066349463847, @@ -13136,7 +10885,7 @@ } }, { - "pk": 100, + "pk": 82, "model": "pgd_core.sidechain_cys", "fields": { "CB_SG": 1.80522194148854, @@ -13161,6 +10910,36 @@ { "pk": 2, "model": "pgd_core.sidechain_gln", + "fields": { + "CD_OE1": 1.22157854412673, + "CB_CG": 1.52073295812739, + "OE1_CD_NE2": 122.881734655227, + "CG_CD_OE1": 119.661507067482, + "CD_NE2": 1.33963892378302, + "CA_CB_CG": 114.753787552156, + "CB_CG_CD": 110.973317446483, + "CG_CD_NE2": 117.43912683602, + "CG_CD": 1.49566034740892 + } +}, +{ + "pk": 3, + "model": "pgd_core.sidechain_gln", + "fields": { + "CD_OE1": 1.23118958176974, + "CB_CG": 1.52013492786663, + "OE1_CD_NE2": 122.601932715987, + "CG_CD_OE1": 120.89488860001, + "CD_NE2": 1.32820340313423, + "CA_CB_CG": 114.114151308382, + "CB_CG_CD": 112.626676911001, + "CG_CD_NE2": 116.503177986244, + "CG_CD": 1.51567229439678 + } +}, +{ + "pk": 4, + "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.16505155344069, "CB_CG": 1.49797936186552, @@ -13174,7 +10953,22 @@ } }, { - "pk": 3, + "pk": 5, + "model": "pgd_core.sidechain_gln", + "fields": { + "CD_OE1": 1.23613557088315, + "CB_CG": 1.46545543051491, + "OE1_CD_NE2": 122.468462641869, + "CG_CD_OE1": 120.886187899779, + "CD_NE2": 1.3287086881469, + "CA_CB_CG": 115.428834014197, + "CB_CG_CD": 110.973810147609, + "CG_CD_NE2": 116.645235917247, + "CG_CD": 1.53525647907721 + } +}, +{ + "pk": 6, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24670121588049, @@ -13189,7 +10983,7 @@ } }, { - "pk": 4, + "pk": 7, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.26172812110739, @@ -13204,7 +10998,22 @@ } }, { - "pk": 5, + "pk": 8, + "model": "pgd_core.sidechain_gln", + "fields": { + "CD_OE1": 1.22766528147837, + "CB_CG": 1.51044029059756, + "OE1_CD_NE2": 122.546060075855, + "CG_CD_OE1": 121.040057231283, + "CD_NE2": 1.31959251143493, + "CA_CB_CG": 114.857271447025, + "CB_CG_CD": 112.183274547431, + "CG_CD_NE2": 116.413048979381, + "CG_CD": 1.49874911558079 + } +}, +{ + "pk": 9, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.21022380831251, @@ -13219,7 +11028,7 @@ } }, { - "pk": 6, + "pk": 10, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23101061738705, @@ -13234,7 +11043,7 @@ } }, { - "pk": 7, + "pk": 11, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24558923826305, @@ -13248,84 +11057,9 @@ "CG_CD": 1.51569180971875 } }, -{ - "pk": 8, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23255215099913, - "CB_CG": 1.63957735018946, - "OE1_CD_NE2": 122.382925790402, - "CG_CD_OE1": 120.496260610291, - "CD_NE2": 1.34628442834278, - "CA_CB_CG": 115.769692452705, - "CB_CG_CD": 113.011483050874, - "CG_CD_NE2": 117.111477268035, - "CG_CD": 1.51870258385765 - } -}, -{ - "pk": 9, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22157854412673, - "CB_CG": 1.52073295812739, - "OE1_CD_NE2": 122.881734655227, - "CG_CD_OE1": 119.661507067482, - "CD_NE2": 1.33963892378302, - "CA_CB_CG": 114.753787552156, - "CB_CG_CD": 110.973317446483, - "CG_CD_NE2": 117.43912683602, - "CG_CD": 1.49566034740892 - } -}, -{ - "pk": 10, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23118958176974, - "CB_CG": 1.52013492786663, - "OE1_CD_NE2": 122.601932715987, - "CG_CD_OE1": 120.89488860001, - "CD_NE2": 1.32820340313423, - "CA_CB_CG": 114.114151308382, - "CB_CG_CD": 112.626676911001, - "CG_CD_NE2": 116.503177986244, - "CG_CD": 1.51567229439678 - } -}, -{ - "pk": 11, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23613557088315, - "CB_CG": 1.46545543051491, - "OE1_CD_NE2": 122.468462641869, - "CG_CD_OE1": 120.886187899779, - "CD_NE2": 1.3287086881469, - "CA_CB_CG": 115.428834014197, - "CB_CG_CD": 110.973810147609, - "CG_CD_NE2": 116.645235917247, - "CG_CD": 1.53525647907721 - } -}, { "pk": 12, "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22766528147837, - "CB_CG": 1.51044029059756, - "OE1_CD_NE2": 122.546060075855, - "CG_CD_OE1": 121.040057231283, - "CD_NE2": 1.31959251143493, - "CA_CB_CG": 114.857271447025, - "CB_CG_CD": 112.183274547431, - "CG_CD_NE2": 116.413048979381, - "CG_CD": 1.49874911558079 - } -}, -{ - "pk": 13, - "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.26393204839021, "CB_CG": 1.51448704794527, @@ -13339,7 +11073,7 @@ } }, { - "pk": 14, + "pk": 13, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24690521778277, @@ -13354,7 +11088,7 @@ } }, { - "pk": 15, + "pk": 14, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.227207355504, @@ -13368,6 +11102,21 @@ "CG_CD": 1.49478413757709 } }, +{ + "pk": 15, + "model": "pgd_core.sidechain_gln", + "fields": { + "CD_OE1": 1.23255215099913, + "CB_CG": 1.63957735018946, + "OE1_CD_NE2": 122.382925790402, + "CG_CD_OE1": 120.496260610291, + "CD_NE2": 1.34628442834278, + "CA_CB_CG": 115.769692452705, + "CB_CG_CD": 113.011483050874, + "CG_CD_NE2": 117.111477268035, + "CG_CD": 1.51870258385765 + } +}, { "pk": 16, "model": "pgd_core.sidechain_gln", @@ -13507,90 +11256,90 @@ "pk": 25, "model": "pgd_core.sidechain_gln", "fields": { - "CD_OE1": 1.23646802496396, - "CB_CG": 1.51644568216618, - "OE1_CD_NE2": 122.839455893799, - "CG_CD_OE1": 120.674952884793, - "CD_NE2": 1.32569868481922, - "CA_CB_CG": 112.754187547566, - "CB_CG_CD": 113.969916161796, - "CG_CD_NE2": 116.440063434154, - "CG_CD": 1.52013663930618 + "CD_OE1": 1.24036670340273, + "CB_CG": 1.51082402374798, + "OE1_CD_NE2": 122.86855785719, + "CG_CD_OE1": 121.525334424539, + "CD_NE2": 1.30398493720975, + "CA_CB_CG": 115.770111215061, + "CB_CG_CD": 113.070285897841, + "CG_CD_NE2": 115.603385016857, + "CG_CD": 1.52098561118637 } }, { "pk": 26, "model": "pgd_core.sidechain_gln", "fields": { - "CD_OE1": 1.24224217416349, - "CB_CG": 1.51919727637193, - "OE1_CD_NE2": 123.0044450413, - "CG_CD_OE1": 121.017870830245, - "CD_NE2": 1.32584537722234, - "CA_CB_CG": 111.067158348906, - "CB_CG_CD": 112.854897669207, - "CG_CD_NE2": 115.928238481448, - "CG_CD": 1.50022179644977 + "CD_OE1": 1.2424130652401, + "CB_CG": 1.55750990189269, + "OE1_CD_NE2": 122.809889946906, + "CG_CD_OE1": 120.651558256772, + "CD_NE2": 1.31069710588175, + "CA_CB_CG": 113.101710024935, + "CB_CG_CD": 114.888745329221, + "CG_CD_NE2": 116.52449302248, + "CG_CD": 1.53016719036791 } }, { "pk": 27, "model": "pgd_core.sidechain_gln", "fields": { - "CD_OE1": 1.23094558486479, - "CB_CG": 1.51513965680665, - "OE1_CD_NE2": 122.728611826669, - "CG_CD_OE1": 120.950992044273, - "CD_NE2": 1.32261200638938, - "CA_CB_CG": 114.156239057031, - "CB_CG_CD": 113.146891306945, - "CG_CD_NE2": 116.320338259864, - "CG_CD": 1.52539727073289 + "CD_OE1": 1.23806876247451, + "CB_CG": 1.52148025975084, + "OE1_CD_NE2": 122.893360208693, + "CG_CD_OE1": 120.390168816132, + "CD_NE2": 1.32667259975949, + "CA_CB_CG": 113.075881954635, + "CB_CG_CD": 111.359848082185, + "CG_CD_NE2": 116.681716508972, + "CG_CD": 1.53049985861383 } }, { "pk": 28, "model": "pgd_core.sidechain_gln", "fields": { - "CD_OE1": 1.22453450964909, - "CB_CG": 1.52632872674301, - "OE1_CD_NE2": 122.517141931294, - "CG_CD_OE1": 120.348606942812, - "CD_NE2": 1.3207793395814, - "CA_CB_CG": 115.625370180598, - "CB_CG_CD": 112.945407988872, - "CG_CD_NE2": 117.133878972121, - "CG_CD": 1.53963729410375 + "CD_OE1": 1.21859637461013, + "CB_CG": 1.51932802285147, + "OE1_CD_NE2": 122.978299543175, + "CG_CD_OE1": 120.05959404227, + "CD_NE2": 1.34088484377898, + "CA_CB_CG": 116.125116635476, + "CB_CG_CD": 112.913257002752, + "CG_CD_NE2": 116.957161993698, + "CG_CD": 1.53343262452116 } }, { "pk": 29, "model": "pgd_core.sidechain_gln", "fields": { - "CD_OE1": 1.21998384631683, - "CB_CG": 1.52661426802427, - "OE1_CD_NE2": 122.236833328813, - "CG_CD_OE1": 121.545735052893, - "CD_NE2": 1.32060098566349, - "CA_CB_CG": 115.938715415174, - "CB_CG_CD": 115.070008102477, - "CG_CD_NE2": 116.216018455757, - "CG_CD": 1.53975361629948 + "CD_OE1": 1.23175192558873, + "CB_CG": 1.51641437639217, + "OE1_CD_NE2": 122.570168633849, + "CG_CD_OE1": 120.602515279464, + "CD_NE2": 1.3319039764394, + "CA_CB_CG": 111.612597854019, + "CB_CG_CD": 114.970845772414, + "CG_CD_NE2": 116.80432085711, + "CG_CD": 1.54490339687063 } }, { "pk": 30, "model": "pgd_core.sidechain_gln", "fields": { - "CD_OE1": 1.22560201220858, - "CB_CG": 1.53795739623999, - "OE1_CD_NE2": 123.092030242804, - "CG_CD_OE1": 120.015297681735, - "CD_NE2": 1.33982775292325, - "CA_CB_CG": 115.046619134127, - "CB_CG_CD": 111.634454972553, - "CG_CD_NE2": 116.887935944015, - "CG_CD": 1.52165665979744 + "CD_OE1": 1.24105000494225, + "CB_CG": 1.5069975035356, + "OE1_CD_NE2": 123.064617182052, + "CG_CD_OE1": 120.230781920338, + "CD_NE2": 1.32390410048018, + "CA_CB_CG": 112.099165800966, + "CB_CG_CD": 112.278117639248, + "CG_CD_NE2": 116.689825472415, + "CG_CD": 1.51770782756593 } }, { @@ -13686,21 +11435,6 @@ { "pk": 37, "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22953027629158, - "CB_CG": 1.50578828019121, - "OE1_CD_NE2": 122.890656787983, - "CG_CD_OE1": 120.751192900213, - "CD_NE2": 1.32890086414693, - "CA_CB_CG": 113.925903273534, - "CB_CG_CD": 112.986071696744, - "CG_CD_NE2": 116.357719960885, - "CG_CD": 1.50382155267803 - } -}, -{ - "pk": 38, - "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23153044090774, "CB_CG": 1.51927287102966, @@ -13714,37 +11448,7 @@ } }, { - "pk": 39, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.24773764614391, - "CB_CG": 1.52436644033614, - "OE1_CD_NE2": 122.936489461724, - "CG_CD_OE1": 121.053449810194, - "CD_NE2": 1.32940589087093, - "CA_CB_CG": 114.789589023518, - "CB_CG_CD": 112.648549356525, - "CG_CD_NE2": 116.007039479159, - "CG_CD": 1.51670394164139 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.2591733518714, - "CB_CG": 1.51733275477413, - "OE1_CD_NE2": 123.164186994204, - "CG_CD_OE1": 120.546605638925, - "CD_NE2": 1.34735152606947, - "CA_CB_CG": 114.25028809043, - "CB_CG_CD": 113.387031613645, - "CG_CD_NE2": 116.287983267135, - "CG_CD": 1.52988721608712 - } -}, -{ - "pk": 41, + "pk": 38, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22886327091316, @@ -13759,22 +11463,7 @@ } }, { - "pk": 42, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23606938182844, - "CB_CG": 1.5312540456914, - "OE1_CD_NE2": 122.82077408262, - "CG_CD_OE1": 120.992571428924, - "CD_NE2": 1.32206053900525, - "CA_CB_CG": 113.555398929058, - "CB_CG_CD": 111.931050985724, - "CG_CD_NE2": 116.186298846582, - "CG_CD": 1.54502681092151 - } -}, -{ - "pk": 43, + "pk": 39, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2290253314658, @@ -13789,37 +11478,7 @@ } }, { - "pk": 44, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.20566007837444, - "CB_CG": 1.53655367749694, - "OE1_CD_NE2": 122.734184386814, - "CG_CD_OE1": 119.515582895938, - "CD_NE2": 1.31317218847439, - "CA_CB_CG": 110.869756296978, - "CB_CG_CD": 111.172128887672, - "CG_CD_NE2": 117.667549786419, - "CG_CD": 1.51638883132885 - } -}, -{ - "pk": 45, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22971364953669, - "CB_CG": 1.51284913012564, - "OE1_CD_NE2": 122.946884061012, - "CG_CD_OE1": 120.18656954989, - "CD_NE2": 1.32896127182549, - "CA_CB_CG": 114.471776053258, - "CB_CG_CD": 111.501638552167, - "CG_CD_NE2": 116.866126225548, - "CG_CD": 1.51857210663713 - } -}, -{ - "pk": 46, + "pk": 40, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2301237178339, @@ -13834,22 +11493,7 @@ } }, { - "pk": 47, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23743911162526, - "CB_CG": 1.50658141586597, - "OE1_CD_NE2": 122.798993365513, - "CG_CD_OE1": 120.251619305574, - "CD_NE2": 1.33122165105292, - "CA_CB_CG": 118.081610706129, - "CB_CG_CD": 110.413598228362, - "CG_CD_NE2": 116.933405830431, - "CG_CD": 1.52841660567369 - } -}, -{ - "pk": 48, + "pk": 41, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23185864650966, @@ -13864,22 +11508,7 @@ } }, { - "pk": 49, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22454749975903, - "CB_CG": 1.50756611374428, - "OE1_CD_NE2": 122.581572477354, - "CG_CD_OE1": 120.677463172224, - "CD_NE2": 1.29767460543232, - "CA_CB_CG": 114.042563275606, - "CB_CG_CD": 113.294944808741, - "CG_CD_NE2": 116.710923801751, - "CG_CD": 1.51756886209981 - } -}, -{ - "pk": 50, + "pk": 42, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23076605626554, @@ -13894,7 +11523,7 @@ } }, { - "pk": 51, + "pk": 43, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22970715841136, @@ -13909,7 +11538,7 @@ } }, { - "pk": 52, + "pk": 44, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23143873807625, @@ -13924,7 +11553,7 @@ } }, { - "pk": 53, + "pk": 45, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22752369588215, @@ -13939,22 +11568,7 @@ } }, { - "pk": 54, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.20699872879819, - "CB_CG": 1.53679161441311, - "OE1_CD_NE2": 123.083561798096, - "CG_CD_OE1": 119.405896222116, - "CD_NE2": 1.32777637591823, - "CA_CB_CG": 113.526337420503, - "CB_CG_CD": 110.808009625228, - "CG_CD_NE2": 117.474386496358, - "CG_CD": 1.52891769747538 - } -}, -{ - "pk": 55, + "pk": 46, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23649231372432, @@ -13969,22 +11583,7 @@ } }, { - "pk": 56, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23047407496065, - "CB_CG": 1.52679414003357, - "OE1_CD_NE2": 122.770031033515, - "CG_CD_OE1": 120.679440665018, - "CD_NE2": 1.31572706812951, - "CA_CB_CG": 114.696206739198, - "CB_CG_CD": 112.396566920924, - "CG_CD_NE2": 116.515934702181, - "CG_CD": 1.523263985492 - } -}, -{ - "pk": 57, + "pk": 47, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23576666798479, @@ -13999,7 +11598,7 @@ } }, { - "pk": 58, + "pk": 48, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23721415563497, @@ -14014,7 +11613,7 @@ } }, { - "pk": 59, + "pk": 49, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23799599094339, @@ -14029,52 +11628,7 @@ } }, { - "pk": 60, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.24031420976047, - "CB_CG": 1.50982515180764, - "OE1_CD_NE2": 122.925590477824, - "CG_CD_OE1": 121.036535340289, - "CD_NE2": 1.33030369884685, - "CA_CB_CG": 111.755293995066, - "CB_CG_CD": 112.541301384509, - "CG_CD_NE2": 116.037804732338, - "CG_CD": 1.52576113098045 - } -}, -{ - "pk": 61, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23985526121383, - "CB_CG": 1.524731889079, - "OE1_CD_NE2": 122.772400453117, - "CG_CD_OE1": 120.91741892395, - "CD_NE2": 1.30673370596573, - "CA_CB_CG": 113.816084444414, - "CB_CG_CD": 111.518408185941, - "CG_CD_NE2": 116.302951738122, - "CG_CD": 1.52754329340274 - } -}, -{ - "pk": 62, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22752720853236, - "CB_CG": 1.49293270998458, - "OE1_CD_NE2": 122.828098352081, - "CG_CD_OE1": 120.113362442952, - "CD_NE2": 1.31994124220057, - "CA_CB_CG": 112.714632931612, - "CB_CG_CD": 111.406441598828, - "CG_CD_NE2": 117.053556327353, - "CG_CD": 1.50208636732876 - } -}, -{ - "pk": 63, + "pk": 50, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23765001954179, @@ -14089,22 +11643,7 @@ } }, { - "pk": 64, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23234313990256, - "CB_CG": 1.49020774250452, - "OE1_CD_NE2": 123.116060156446, - "CG_CD_OE1": 120.006665078143, - "CD_NE2": 1.33177174201928, - "CA_CB_CG": 114.103503949909, - "CB_CG_CD": 111.225432529508, - "CG_CD_NE2": 116.829992570562, - "CG_CD": 1.50826419895853 - } -}, -{ - "pk": 65, + "pk": 51, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23486557481881, @@ -14119,22 +11658,7 @@ } }, { - "pk": 66, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.24578611574922, - "CB_CG": 1.51460386263069, - "OE1_CD_NE2": 123.197619460394, - "CG_CD_OE1": 119.729218360417, - "CD_NE2": 1.33751969905044, - "CA_CB_CG": 112.728287271281, - "CB_CG_CD": 112.29065416878, - "CG_CD_NE2": 117.021803287467, - "CG_CD": 1.50081278923173 - } -}, -{ - "pk": 67, + "pk": 52, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24322220671788, @@ -14149,7 +11673,7 @@ } }, { - "pk": 68, + "pk": 53, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23795232475929, @@ -14164,7 +11688,7 @@ } }, { - "pk": 69, + "pk": 54, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24078515624473, @@ -14179,7 +11703,7 @@ } }, { - "pk": 70, + "pk": 55, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22785233162136, @@ -14194,22 +11718,7 @@ } }, { - "pk": 71, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22207925896, - "CB_CG": 1.53197387488497, - "OE1_CD_NE2": 122.812132309743, - "CG_CD_OE1": 120.006966086604, - "CD_NE2": 1.33609341942411, - "CA_CB_CG": 115.152252103228, - "CB_CG_CD": 110.979134647066, - "CG_CD_NE2": 117.15190381129, - "CG_CD": 1.53690635879421 - } -}, -{ - "pk": 72, + "pk": 56, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22915769544363, @@ -14224,7 +11733,7 @@ } }, { - "pk": 73, + "pk": 57, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23880680192361, @@ -14239,7 +11748,7 @@ } }, { - "pk": 74, + "pk": 58, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23078110990974, @@ -14254,7 +11763,7 @@ } }, { - "pk": 75, + "pk": 59, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24544108883129, @@ -14269,7 +11778,7 @@ } }, { - "pk": 76, + "pk": 60, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23337021184112, @@ -14284,37 +11793,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23733769638312, - "CB_CG": 1.50284011897082, - "OE1_CD_NE2": 122.962624354218, - "CG_CD_OE1": 120.547633489919, - "CD_NE2": 1.3317384636199, - "CA_CB_CG": 114.555902489138, - "CB_CG_CD": 111.260223333562, - "CG_CD_NE2": 116.480753677862, - "CG_CD": 1.52295874518239 - } -}, -{ - "pk": 78, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.24901582669708, - "CB_CG": 1.52543729374155, - "OE1_CD_NE2": 122.897321394007, - "CG_CD_OE1": 120.619778966975, - "CD_NE2": 1.33687525952675, - "CA_CB_CG": 116.437612909255, - "CB_CG_CD": 111.503585971981, - "CG_CD_NE2": 116.461285829605, - "CG_CD": 1.52621831471871 - } -}, -{ - "pk": 79, + "pk": 61, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23358391815302, @@ -14329,52 +11808,7 @@ } }, { - "pk": 80, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23822980122818, - "CB_CG": 1.52304023440232, - "OE1_CD_NE2": 122.946533270655, - "CG_CD_OE1": 121.116437477263, - "CD_NE2": 1.33173932007705, - "CA_CB_CG": 112.367403086854, - "CB_CG_CD": 114.091871711077, - "CG_CD_NE2": 115.93648634784, - "CG_CD": 1.51742828830303 - } -}, -{ - "pk": 81, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23167177913703, - "CB_CG": 1.4933865095518, - "OE1_CD_NE2": 123.107902879187, - "CG_CD_OE1": 119.986053187511, - "CD_NE2": 1.32397887243703, - "CA_CB_CG": 115.763286750183, - "CB_CG_CD": 109.026708901137, - "CG_CD_NE2": 116.860346980003, - "CG_CD": 1.49792008164129 - } -}, -{ - "pk": 82, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.22945518561568, - "CB_CG": 1.51254037161519, - "OE1_CD_NE2": 122.962695594983, - "CG_CD_OE1": 120.65432459508, - "CD_NE2": 1.32247117317392, - "CA_CB_CG": 114.805693176536, - "CB_CG_CD": 112.049521156238, - "CG_CD_NE2": 116.380402623493, - "CG_CD": 1.50818505115086 - } -}, -{ - "pk": 83, + "pk": 62, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23033309630594, @@ -14389,7 +11823,7 @@ } }, { - "pk": 84, + "pk": 63, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23629154263182, @@ -14404,7 +11838,7 @@ } }, { - "pk": 85, + "pk": 64, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.21833093018127, @@ -14419,7 +11853,7 @@ } }, { - "pk": 86, + "pk": 65, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23273414463728, @@ -14434,52 +11868,7 @@ } }, { - "pk": 87, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.24036670340273, - "CB_CG": 1.51082402374798, - "OE1_CD_NE2": 122.86855785719, - "CG_CD_OE1": 121.525334424539, - "CD_NE2": 1.30398493720975, - "CA_CB_CG": 115.770111215061, - "CB_CG_CD": 113.070285897841, - "CG_CD_NE2": 115.603385016857, - "CG_CD": 1.52098561118637 - } -}, -{ - "pk": 88, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.2424130652401, - "CB_CG": 1.55750990189269, - "OE1_CD_NE2": 122.809889946906, - "CG_CD_OE1": 120.651558256772, - "CD_NE2": 1.31069710588175, - "CA_CB_CG": 113.101710024935, - "CB_CG_CD": 114.888745329221, - "CG_CD_NE2": 116.52449302248, - "CG_CD": 1.53016719036791 - } -}, -{ - "pk": 89, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23806876247451, - "CB_CG": 1.52148025975084, - "OE1_CD_NE2": 122.893360208693, - "CG_CD_OE1": 120.390168816132, - "CD_NE2": 1.32667259975949, - "CA_CB_CG": 113.075881954635, - "CB_CG_CD": 111.359848082185, - "CG_CD_NE2": 116.681716508972, - "CG_CD": 1.53049985861383 - } -}, -{ - "pk": 90, + "pk": 66, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24756178149944, @@ -14494,37 +11883,7 @@ } }, { - "pk": 91, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.21859637461013, - "CB_CG": 1.51932802285147, - "OE1_CD_NE2": 122.978299543175, - "CG_CD_OE1": 120.05959404227, - "CD_NE2": 1.34088484377898, - "CA_CB_CG": 116.125116635476, - "CB_CG_CD": 112.913257002752, - "CG_CD_NE2": 116.957161993698, - "CG_CD": 1.53343262452116 - } -}, -{ - "pk": 92, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.23175192558873, - "CB_CG": 1.51641437639217, - "OE1_CD_NE2": 122.570168633849, - "CG_CD_OE1": 120.602515279464, - "CD_NE2": 1.3319039764394, - "CA_CB_CG": 111.612597854019, - "CB_CG_CD": 114.970845772414, - "CG_CD_NE2": 116.80432085711, - "CG_CD": 1.54490339687063 - } -}, -{ - "pk": 93, + "pk": 67, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24291435903165, @@ -14539,7 +11898,7 @@ } }, { - "pk": 94, + "pk": 68, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24964852173932, @@ -14554,7 +11913,7 @@ } }, { - "pk": 95, + "pk": 69, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.21586346906957, @@ -14569,22 +11928,7 @@ } }, { - "pk": 96, - "model": "pgd_core.sidechain_gln", - "fields": { - "CD_OE1": 1.24105000494225, - "CB_CG": 1.5069975035356, - "OE1_CD_NE2": 123.064617182052, - "CG_CD_OE1": 120.230781920338, - "CD_NE2": 1.32390410048018, - "CA_CB_CG": 112.099165800966, - "CB_CG_CD": 112.278117639248, - "CG_CD_NE2": 116.689825472415, - "CG_CD": 1.51770782756593 - } -}, -{ - "pk": 97, + "pk": 70, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23816179946841, @@ -14599,7 +11943,7 @@ } }, { - "pk": 98, + "pk": 71, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2285775738194, @@ -14614,7 +11958,7 @@ } }, { - "pk": 99, + "pk": 72, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23842633156903, @@ -14629,7 +11973,7 @@ } }, { - "pk": 100, + "pk": 73, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23249067216608, @@ -14644,7 +11988,7 @@ } }, { - "pk": 101, + "pk": 74, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2393997695287, @@ -14659,7 +12003,7 @@ } }, { - "pk": 102, + "pk": 75, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22002516829246, @@ -14674,7 +12018,7 @@ } }, { - "pk": 103, + "pk": 76, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23625341392303, @@ -14689,7 +12033,7 @@ } }, { - "pk": 104, + "pk": 77, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22590704438197, @@ -14704,7 +12048,7 @@ } }, { - "pk": 105, + "pk": 78, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23190123031799, @@ -14719,7 +12063,7 @@ } }, { - "pk": 106, + "pk": 79, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23953811932105, @@ -14734,7 +12078,7 @@ } }, { - "pk": 107, + "pk": 80, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23058721910114, @@ -14749,7 +12093,7 @@ } }, { - "pk": 108, + "pk": 81, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22725038732682, @@ -14764,7 +12108,7 @@ } }, { - "pk": 109, + "pk": 82, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23530497493746, @@ -14779,7 +12123,7 @@ } }, { - "pk": 110, + "pk": 83, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22861896684555, @@ -14794,7 +12138,7 @@ } }, { - "pk": 111, + "pk": 84, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23737055737644, @@ -14809,7 +12153,7 @@ } }, { - "pk": 112, + "pk": 85, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23471801579899, @@ -14824,7 +12168,7 @@ } }, { - "pk": 113, + "pk": 86, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23180187187875, @@ -14839,7 +12183,7 @@ } }, { - "pk": 114, + "pk": 87, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23252378947579, @@ -14854,7 +12198,7 @@ } }, { - "pk": 115, + "pk": 88, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23417006613927, @@ -14869,7 +12213,7 @@ } }, { - "pk": 116, + "pk": 89, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23408627750268, @@ -14884,7 +12228,7 @@ } }, { - "pk": 117, + "pk": 90, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23786999243669, @@ -14899,7 +12243,7 @@ } }, { - "pk": 118, + "pk": 91, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23287228321339, @@ -14914,7 +12258,7 @@ } }, { - "pk": 119, + "pk": 92, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2329177222476, @@ -14929,7 +12273,7 @@ } }, { - "pk": 120, + "pk": 93, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23290369801238, @@ -14944,7 +12288,7 @@ } }, { - "pk": 121, + "pk": 94, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23287805664328, @@ -14959,7 +12303,7 @@ } }, { - "pk": 122, + "pk": 95, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2359223256574, @@ -14974,7 +12318,7 @@ } }, { - "pk": 123, + "pk": 96, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23530245849978, @@ -14989,7 +12333,7 @@ } }, { - "pk": 124, + "pk": 97, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23675638929433, @@ -15004,7 +12348,7 @@ } }, { - "pk": 125, + "pk": 98, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23821334110198, @@ -15019,7 +12363,7 @@ } }, { - "pk": 126, + "pk": 99, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23458737068864, @@ -15034,7 +12378,7 @@ } }, { - "pk": 127, + "pk": 100, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23437113052694, @@ -15049,7 +12393,7 @@ } }, { - "pk": 128, + "pk": 101, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23523864951139, @@ -15064,7 +12408,7 @@ } }, { - "pk": 129, + "pk": 102, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23802907023892, @@ -15079,7 +12423,7 @@ } }, { - "pk": 130, + "pk": 103, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22963346657287, @@ -15094,7 +12438,7 @@ } }, { - "pk": 131, + "pk": 104, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22947576690583, @@ -15109,7 +12453,7 @@ } }, { - "pk": 132, + "pk": 105, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.225703729001, @@ -15124,7 +12468,7 @@ } }, { - "pk": 133, + "pk": 106, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22824752063345, @@ -15139,7 +12483,7 @@ } }, { - "pk": 134, + "pk": 107, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22351127348828, @@ -15154,7 +12498,7 @@ } }, { - "pk": 135, + "pk": 108, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23379530472405, @@ -15169,7 +12513,7 @@ } }, { - "pk": 136, + "pk": 109, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23264702154377, @@ -15184,7 +12528,7 @@ } }, { - "pk": 137, + "pk": 110, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23052349286967, @@ -15199,7 +12543,7 @@ } }, { - "pk": 138, + "pk": 111, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.231045807453, @@ -15214,7 +12558,7 @@ } }, { - "pk": 139, + "pk": 112, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.229510660153, @@ -15229,7 +12573,7 @@ } }, { - "pk": 140, + "pk": 113, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23189520117261, @@ -15244,7 +12588,7 @@ } }, { - "pk": 141, + "pk": 114, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24393572143094, @@ -15259,7 +12603,7 @@ } }, { - "pk": 142, + "pk": 115, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23556193657256, @@ -15274,7 +12618,7 @@ } }, { - "pk": 143, + "pk": 116, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23454468840857, @@ -15289,7 +12633,7 @@ } }, { - "pk": 144, + "pk": 117, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23129790775467, @@ -15304,7 +12648,7 @@ } }, { - "pk": 145, + "pk": 118, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23596922807099, @@ -15319,7 +12663,7 @@ } }, { - "pk": 146, + "pk": 119, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23028264305951, @@ -15334,7 +12678,7 @@ } }, { - "pk": 147, + "pk": 120, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23647623979066, @@ -15349,7 +12693,7 @@ } }, { - "pk": 148, + "pk": 121, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23027291246733, @@ -15364,7 +12708,7 @@ } }, { - "pk": 149, + "pk": 122, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23263997620826, @@ -15379,7 +12723,7 @@ } }, { - "pk": 150, + "pk": 123, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22996050513883, @@ -15394,7 +12738,7 @@ } }, { - "pk": 151, + "pk": 124, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23664379245599, @@ -15409,7 +12753,7 @@ } }, { - "pk": 152, + "pk": 125, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23320124243491, @@ -15424,7 +12768,7 @@ } }, { - "pk": 153, + "pk": 126, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23499327899173, @@ -15439,7 +12783,7 @@ } }, { - "pk": 154, + "pk": 127, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23807612063068, @@ -15454,7 +12798,7 @@ } }, { - "pk": 155, + "pk": 128, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23914770729096, @@ -15469,7 +12813,7 @@ } }, { - "pk": 156, + "pk": 129, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23933540042925, @@ -15484,7 +12828,7 @@ } }, { - "pk": 157, + "pk": 130, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23676702907548, @@ -15499,7 +12843,7 @@ } }, { - "pk": 158, + "pk": 131, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.25213681872273, @@ -15514,7 +12858,7 @@ } }, { - "pk": 159, + "pk": 132, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23772877379551, @@ -15529,7 +12873,7 @@ } }, { - "pk": 160, + "pk": 133, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.238889534315, @@ -15544,7 +12888,7 @@ } }, { - "pk": 161, + "pk": 134, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22903651172239, @@ -15559,7 +12903,7 @@ } }, { - "pk": 162, + "pk": 135, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23119562036035, @@ -15574,7 +12918,7 @@ } }, { - "pk": 163, + "pk": 136, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2298755719496, @@ -15589,7 +12933,7 @@ } }, { - "pk": 164, + "pk": 137, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23741976982473, @@ -15604,7 +12948,7 @@ } }, { - "pk": 165, + "pk": 138, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23224244828619, @@ -15619,7 +12963,7 @@ } }, { - "pk": 166, + "pk": 139, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.24421235143361, @@ -15634,7 +12978,7 @@ } }, { - "pk": 167, + "pk": 140, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22853827196219, @@ -15649,7 +12993,7 @@ } }, { - "pk": 168, + "pk": 141, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23829056165273, @@ -15664,7 +13008,7 @@ } }, { - "pk": 169, + "pk": 142, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23658088889397, @@ -15679,7 +13023,7 @@ } }, { - "pk": 170, + "pk": 143, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23413393401575, @@ -15694,7 +13038,7 @@ } }, { - "pk": 171, + "pk": 144, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.2324546325182, @@ -15709,7 +13053,7 @@ } }, { - "pk": 172, + "pk": 145, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23655841921198, @@ -15724,7 +13068,7 @@ } }, { - "pk": 173, + "pk": 146, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23778835532426, @@ -15739,7 +13083,7 @@ } }, { - "pk": 174, + "pk": 147, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23358416617785, @@ -15754,7 +13098,7 @@ } }, { - "pk": 175, + "pk": 148, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23712589353126, @@ -15769,7 +13113,7 @@ } }, { - "pk": 176, + "pk": 149, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23754132638622, @@ -15784,7 +13128,7 @@ } }, { - "pk": 177, + "pk": 150, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23453307389271, @@ -15799,7 +13143,7 @@ } }, { - "pk": 178, + "pk": 151, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22768566936576, @@ -15814,7 +13158,7 @@ } }, { - "pk": 179, + "pk": 152, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23467139434818, @@ -15829,7 +13173,7 @@ } }, { - "pk": 180, + "pk": 153, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.229767931576, @@ -15844,7 +13188,7 @@ } }, { - "pk": 181, + "pk": 154, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22952551954065, @@ -15859,7 +13203,7 @@ } }, { - "pk": 182, + "pk": 155, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23063185222625, @@ -15874,7 +13218,7 @@ } }, { - "pk": 183, + "pk": 156, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22904365542264, @@ -15889,7 +13233,7 @@ } }, { - "pk": 184, + "pk": 157, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23340271794256, @@ -15904,7 +13248,7 @@ } }, { - "pk": 185, + "pk": 158, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23527880898379, @@ -15919,7 +13263,7 @@ } }, { - "pk": 186, + "pk": 159, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23162218634815, @@ -15934,7 +13278,7 @@ } }, { - "pk": 187, + "pk": 160, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23239243973064, @@ -15949,7 +13293,7 @@ } }, { - "pk": 188, + "pk": 161, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22971910587715, @@ -15964,7 +13308,7 @@ } }, { - "pk": 189, + "pk": 162, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.22820351889856, @@ -15979,7 +13323,7 @@ } }, { - "pk": 190, + "pk": 163, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23651628436572, @@ -15994,7 +13338,7 @@ } }, { - "pk": 191, + "pk": 164, "model": "pgd_core.sidechain_gln", "fields": { "CD_OE1": 1.23744420178955, @@ -16026,96 +13370,6 @@ { "pk": 2, "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25919232995445, - "CD_OE1": 1.25192726262499, - "CB_CG": 1.45811692983889, - "CG_CD_OE1": 119.195264068914, - "CG_CD_OE2": 117.161311117351, - "CA_CB_CG": 116.906163140083, - "CB_CG_CD": 118.036683979595, - "OE1_CD_OE2": 123.64113455224, - "CG_CD": 1.51478226188734 - } -}, -{ - "pk": 3, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.22691834939963, - "CD_OE1": 1.22571064681749, - "CB_CG": 1.49004701958927, - "CG_CD_OE1": 117.470498326586, - "CG_CD_OE2": 121.839114159209, - "CA_CB_CG": 111.92437951841, - "CB_CG_CD": 114.878090588341, - "OE1_CD_OE2": 120.540894544836, - "CG_CD": 1.48273785040136 - } -}, -{ - "pk": 4, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26177724974346, - "CD_OE1": 1.2462102120285, - "CB_CG": 1.49984688053121, - "CG_CD_OE1": 118.225822423181, - "CG_CD_OE2": 116.837827426869, - "CA_CB_CG": 115.734243750128, - "CB_CG_CD": 114.569302705868, - "OE1_CD_OE2": 124.934732777671, - "CG_CD": 1.51679224259876 - } -}, -{ - "pk": 5, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2827400547656, - "CD_OE1": 1.28735072427283, - "CB_CG": 1.50976647827075, - "CG_CD_OE1": 117.088964728573, - "CG_CD_OE2": 118.777760854806, - "CA_CB_CG": 110.69710498697, - "CB_CG_CD": 118.878948381014, - "OE1_CD_OE2": 124.132023843036, - "CG_CD": 1.51356014620015 - } -}, -{ - "pk": 6, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.23823161414103, - "CD_OE1": 1.25620065559314, - "CB_CG": 1.5545824296115, - "CG_CD_OE1": 118.094650403163, - "CG_CD_OE2": 118.502283515786, - "CA_CB_CG": 114.051472895841, - "CB_CG_CD": 113.580507000084, - "OE1_CD_OE2": 123.400575319383, - "CG_CD": 1.49718809479403 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.30370280580389, - "CD_OE1": 1.24179838242276, - "CB_CG": 1.49824962305758, - "CG_CD_OE1": 121.90749089892, - "CG_CD_OE2": 114.212276863671, - "CA_CB_CG": 114.843397222348, - "CB_CG_CD": 118.679203741804, - "OE1_CD_OE2": 123.876471773219, - "CG_CD": 1.47175181177925 - } -}, -{ - "pk": 8, - "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26279912612354, "CD_OE1": 1.23781160965516, @@ -16129,7 +13383,7 @@ } }, { - "pk": 9, + "pk": 3, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25822646599316, @@ -16144,142 +13398,22 @@ } }, { - "pk": 10, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25599631687008, - "CD_OE1": 1.26130784469607, - "CB_CG": 1.52198402155794, - "CG_CD_OE1": 118.542981552535, - "CG_CD_OE2": 117.149752817823, - "CA_CB_CG": 115.141384786259, - "CB_CG_CD": 112.892475139779, - "OE1_CD_OE2": 124.303414209646, - "CG_CD": 1.51726413105889 - } -}, -{ - "pk": 11, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25342588685056, - "CD_OE1": 1.24745628376969, - "CB_CG": 1.51452899886726, - "CG_CD_OE1": 117.911524123793, - "CG_CD_OE2": 118.666987787388, - "CA_CB_CG": 113.79884822258, - "CB_CG_CD": 112.455748292841, - "OE1_CD_OE2": 123.419313747683, - "CG_CD": 1.51255866919662 - } -}, -{ - "pk": 12, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26384777382042, - "CD_OE1": 1.25853320477292, - "CB_CG": 1.55333244519002, - "CG_CD_OE1": 119.30162981048, - "CG_CD_OE2": 119.116718761639, - "CA_CB_CG": 114.266149941933, - "CB_CG_CD": 113.265113231153, - "OE1_CD_OE2": 121.568327113249, - "CG_CD": 1.57327300775842 - } -}, -{ - "pk": 13, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24601797041553, - "CD_OE1": 1.25713073227005, - "CB_CG": 1.48978481268375, - "CG_CD_OE1": 118.297033288192, - "CG_CD_OE2": 117.511453437827, - "CA_CB_CG": 114.857887332892, - "CB_CG_CD": 110.822404742188, - "OE1_CD_OE2": 124.191500134347, - "CG_CD": 1.49348004298638 - } -}, -{ - "pk": 14, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25740340964923, - "CD_OE1": 1.26082969805709, - "CB_CG": 1.5335303732533, - "CG_CD_OE1": 119.308184175263, - "CG_CD_OE2": 117.900847977526, - "CA_CB_CG": 114.623461343133, - "CB_CG_CD": 113.103822151815, - "OE1_CD_OE2": 122.790813789018, - "CG_CD": 1.53668705682435 - } -}, -{ - "pk": 15, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24805745204325, - "CD_OE1": 1.2483020265304, - "CB_CG": 1.53404664459569, - "CG_CD_OE1": 118.501574161637, - "CG_CD_OE2": 119.671221862973, - "CA_CB_CG": 116.788068068218, - "CB_CG_CD": 112.675429270621, - "OE1_CD_OE2": 121.82479257717, - "CG_CD": 1.53687282328535 - } -}, -{ - "pk": 16, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2577835027841, - "CD_OE1": 1.25707556066095, - "CB_CG": 1.53724709759025, - "CG_CD_OE1": 116.989833532436, - "CG_CD_OE2": 118.478651880883, - "CA_CB_CG": 113.789949410763, - "CB_CG_CD": 110.6053991173, - "OE1_CD_OE2": 124.530757940353, - "CG_CD": 1.50600011350807 - } -}, -{ - "pk": 17, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26884730561692, - "CD_OE1": 1.25290851361025, - "CB_CG": 1.50874728562294, - "CG_CD_OE1": 117.800798597157, - "CG_CD_OE2": 120.066831582653, - "CA_CB_CG": 117.04987545435, - "CB_CG_CD": 109.771024871738, - "OE1_CD_OE2": 122.107064381822, - "CG_CD": 1.5615920068458 - } -}, -{ - "pk": 18, + "pk": 4, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.25003669362908, - "CD_OE1": 1.27650677146586, - "CB_CG": 1.4706328624926, - "CG_CD_OE1": 119.467794242242, - "CG_CD_OE2": 115.582633562623, - "CA_CB_CG": 114.13258165929, - "CB_CG_CD": 111.46619321225, - "OE1_CD_OE2": 124.949263478658, - "CG_CD": 1.50546861526072 + "CD_OE2": 1.25919232995445, + "CD_OE1": 1.25192726262499, + "CB_CG": 1.45811692983889, + "CG_CD_OE1": 119.195264068914, + "CG_CD_OE2": 117.161311117351, + "CA_CB_CG": 116.906163140083, + "CB_CG_CD": 118.036683979595, + "OE1_CD_OE2": 123.64113455224, + "CG_CD": 1.51478226188734 } }, { - "pk": 19, + "pk": 5, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24821944863245, @@ -16294,7 +13428,7 @@ } }, { - "pk": 20, + "pk": 6, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24321665940816, @@ -16309,7 +13443,7 @@ } }, { - "pk": 21, + "pk": 7, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26077760887219, @@ -16324,7 +13458,67 @@ } }, { - "pk": 22, + "pk": 8, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.22691834939963, + "CD_OE1": 1.22571064681749, + "CB_CG": 1.49004701958927, + "CG_CD_OE1": 117.470498326586, + "CG_CD_OE2": 121.839114159209, + "CA_CB_CG": 111.92437951841, + "CB_CG_CD": 114.878090588341, + "OE1_CD_OE2": 120.540894544836, + "CG_CD": 1.48273785040136 + } +}, +{ + "pk": 9, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.25599631687008, + "CD_OE1": 1.26130784469607, + "CB_CG": 1.52198402155794, + "CG_CD_OE1": 118.542981552535, + "CG_CD_OE2": 117.149752817823, + "CA_CB_CG": 115.141384786259, + "CB_CG_CD": 112.892475139779, + "OE1_CD_OE2": 124.303414209646, + "CG_CD": 1.51726413105889 + } +}, +{ + "pk": 10, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.25342588685056, + "CD_OE1": 1.24745628376969, + "CB_CG": 1.51452899886726, + "CG_CD_OE1": 117.911524123793, + "CG_CD_OE2": 118.666987787388, + "CA_CB_CG": 113.79884822258, + "CB_CG_CD": 112.455748292841, + "OE1_CD_OE2": 123.419313747683, + "CG_CD": 1.51255866919662 + } +}, +{ + "pk": 11, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.26177724974346, + "CD_OE1": 1.2462102120285, + "CB_CG": 1.49984688053121, + "CG_CD_OE1": 118.225822423181, + "CG_CD_OE2": 116.837827426869, + "CA_CB_CG": 115.734243750128, + "CB_CG_CD": 114.569302705868, + "OE1_CD_OE2": 124.934732777671, + "CG_CD": 1.51679224259876 + } +}, +{ + "pk": 12, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25574092273632, @@ -16339,7 +13533,7 @@ } }, { - "pk": 23, + "pk": 13, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25725845374983, @@ -16354,7 +13548,7 @@ } }, { - "pk": 24, + "pk": 14, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2521480503732, @@ -16369,7 +13563,22 @@ } }, { - "pk": 25, + "pk": 15, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.2827400547656, + "CD_OE1": 1.28735072427283, + "CB_CG": 1.50976647827075, + "CG_CD_OE1": 117.088964728573, + "CG_CD_OE2": 118.777760854806, + "CA_CB_CG": 110.69710498697, + "CB_CG_CD": 118.878948381014, + "OE1_CD_OE2": 124.132023843036, + "CG_CD": 1.51356014620015 + } +}, +{ + "pk": 16, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25194360029729, @@ -16384,7 +13593,7 @@ } }, { - "pk": 26, + "pk": 17, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2586490335582, @@ -16399,7 +13608,7 @@ } }, { - "pk": 27, + "pk": 18, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.23719376352647, @@ -16414,7 +13623,37 @@ } }, { - "pk": 28, + "pk": 19, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.23823161414103, + "CD_OE1": 1.25620065559314, + "CB_CG": 1.5545824296115, + "CG_CD_OE1": 118.094650403163, + "CG_CD_OE2": 118.502283515786, + "CA_CB_CG": 114.051472895841, + "CB_CG_CD": 113.580507000084, + "OE1_CD_OE2": 123.400575319383, + "CG_CD": 1.49718809479403 + } +}, +{ + "pk": 20, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.26384777382042, + "CD_OE1": 1.25853320477292, + "CB_CG": 1.55333244519002, + "CG_CD_OE1": 119.30162981048, + "CG_CD_OE2": 119.116718761639, + "CA_CB_CG": 114.266149941933, + "CB_CG_CD": 113.265113231153, + "OE1_CD_OE2": 121.568327113249, + "CG_CD": 1.57327300775842 + } +}, +{ + "pk": 21, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25837183086468, @@ -16429,7 +13668,22 @@ } }, { - "pk": 29, + "pk": 22, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.24601797041553, + "CD_OE1": 1.25713073227005, + "CB_CG": 1.48978481268375, + "CG_CD_OE1": 118.297033288192, + "CG_CD_OE2": 117.511453437827, + "CA_CB_CG": 114.857887332892, + "CB_CG_CD": 110.822404742188, + "OE1_CD_OE2": 124.191500134347, + "CG_CD": 1.49348004298638 + } +}, +{ + "pk": 23, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26362547632731, @@ -16444,7 +13698,22 @@ } }, { - "pk": 30, + "pk": 24, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.30370280580389, + "CD_OE1": 1.24179838242276, + "CB_CG": 1.49824962305758, + "CG_CD_OE1": 121.90749089892, + "CG_CD_OE2": 114.212276863671, + "CA_CB_CG": 114.843397222348, + "CB_CG_CD": 118.679203741804, + "OE1_CD_OE2": 123.876471773219, + "CG_CD": 1.47175181177925 + } +}, +{ + "pk": 25, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25979676058902, @@ -16459,7 +13728,22 @@ } }, { - "pk": 31, + "pk": 26, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.25740340964923, + "CD_OE1": 1.26082969805709, + "CB_CG": 1.5335303732533, + "CG_CD_OE1": 119.308184175263, + "CG_CD_OE2": 117.900847977526, + "CA_CB_CG": 114.623461343133, + "CB_CG_CD": 113.103822151815, + "OE1_CD_OE2": 122.790813789018, + "CG_CD": 1.53668705682435 + } +}, +{ + "pk": 27, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25022641239637, @@ -16474,7 +13758,22 @@ } }, { - "pk": 32, + "pk": 28, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.24805745204325, + "CD_OE1": 1.2483020265304, + "CB_CG": 1.53404664459569, + "CG_CD_OE1": 118.501574161637, + "CG_CD_OE2": 119.671221862973, + "CA_CB_CG": 116.788068068218, + "CB_CG_CD": 112.675429270621, + "OE1_CD_OE2": 121.82479257717, + "CG_CD": 1.53687282328535 + } +}, +{ + "pk": 29, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25211257840068, @@ -16489,7 +13788,37 @@ } }, { - "pk": 33, + "pk": 30, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.2577835027841, + "CD_OE1": 1.25707556066095, + "CB_CG": 1.53724709759025, + "CG_CD_OE1": 116.989833532436, + "CG_CD_OE2": 118.478651880883, + "CA_CB_CG": 113.789949410763, + "CB_CG_CD": 110.6053991173, + "OE1_CD_OE2": 124.530757940353, + "CG_CD": 1.50600011350807 + } +}, +{ + "pk": 31, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.26884730561692, + "CD_OE1": 1.25290851361025, + "CB_CG": 1.50874728562294, + "CG_CD_OE1": 117.800798597157, + "CG_CD_OE2": 120.066831582653, + "CA_CB_CG": 117.04987545435, + "CB_CG_CD": 109.771024871738, + "OE1_CD_OE2": 122.107064381822, + "CG_CD": 1.5615920068458 + } +}, +{ + "pk": 32, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25641158699895, @@ -16504,7 +13833,7 @@ } }, { - "pk": 34, + "pk": 33, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24765683317985, @@ -16519,7 +13848,7 @@ } }, { - "pk": 35, + "pk": 34, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25277641770665, @@ -16533,6 +13862,21 @@ "CG_CD": 1.52336613778791 } }, +{ + "pk": 35, + "model": "pgd_core.sidechain_glu", + "fields": { + "CD_OE2": 1.25003669362908, + "CD_OE1": 1.27650677146586, + "CB_CG": 1.4706328624926, + "CG_CD_OE1": 119.467794242242, + "CG_CD_OE2": 115.582633562623, + "CA_CB_CG": 114.13258165929, + "CB_CG_CD": 111.46619321225, + "OE1_CD_OE2": 124.949263478658, + "CG_CD": 1.50546861526072 + } +}, { "pk": 36, "model": "pgd_core.sidechain_glu", @@ -16777,200 +14121,185 @@ "pk": 52, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.25816277444008, - "CD_OE1": 1.27233624066463, - "CB_CG": 1.5322746166798, - "CG_CD_OE1": 118.458365122951, - "CG_CD_OE2": 119.280728925343, - "CA_CB_CG": 116.353673162437, - "CB_CG_CD": 111.102071444885, - "OE1_CD_OE2": 122.258536202496, - "CG_CD": 1.53712886266762 + "CD_OE2": 1.24469633006342, + "CD_OE1": 1.26489171366753, + "CB_CG": 1.50463037173365, + "CG_CD_OE1": 119.469001016495, + "CG_CD_OE2": 118.021740276061, + "CA_CB_CG": 115.086730715857, + "CB_CG_CD": 111.913524895644, + "OE1_CD_OE2": 122.500083780452, + "CG_CD": 1.53200936461524 } }, { "pk": 53, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.24025890702928, - "CD_OE1": 1.24638669977605, - "CB_CG": 1.51929036964524, - "CG_CD_OE1": 120.573752363027, - "CG_CD_OE2": 117.595210031236, - "CA_CB_CG": 114.144557377399, - "CB_CG_CD": 114.224760635093, - "OE1_CD_OE2": 121.830366353691, - "CG_CD": 1.53531688859735 + "CD_OE2": 1.22588957826652, + "CD_OE1": 1.25935470122925, + "CB_CG": 1.50943663992102, + "CG_CD_OE1": 120.827180542535, + "CG_CD_OE2": 116.037109777531, + "CA_CB_CG": 112.036658570991, + "CB_CG_CD": 112.254844900794, + "OE1_CD_OE2": 123.13138533682, + "CG_CD": 1.49438418218136 } }, { "pk": 54, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.26091732300858, - "CD_OE1": 1.28243283611467, - "CB_CG": 1.54795779946876, - "CG_CD_OE1": 120.443416933464, - "CG_CD_OE2": 117.499064648636, - "CA_CB_CG": 114.452084183207, - "CB_CG_CD": 115.081726225504, - "OE1_CD_OE2": 122.037165799394, - "CG_CD": 1.53609279661455 + "CD_OE2": 1.25482825197545, + "CD_OE1": 1.25472891347766, + "CB_CG": 1.51325107271294, + "CG_CD_OE1": 117.825997186487, + "CG_CD_OE2": 119.176026122596, + "CA_CB_CG": 115.376835380979, + "CB_CG_CD": 110.831192717832, + "OE1_CD_OE2": 122.994220518871, + "CG_CD": 1.51775725346544 } }, { "pk": 55, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.25704448814425, - "CD_OE1": 1.25505902039564, - "CB_CG": 1.52461304991344, - "CG_CD_OE1": 118.985274997421, - "CG_CD_OE2": 118.983546500497, - "CA_CB_CG": 112.701027177503, - "CB_CG_CD": 113.978799129782, - "OE1_CD_OE2": 122.02417199323, - "CG_CD": 1.53022392222289 + "CD_OE2": 1.24238927379297, + "CD_OE1": 1.26574012282714, + "CB_CG": 1.50105849193596, + "CG_CD_OE1": 121.160576420457, + "CG_CD_OE2": 114.900001775039, + "CA_CB_CG": 111.510389089988, + "CB_CG_CD": 115.053007994625, + "OE1_CD_OE2": 123.905119128559, + "CG_CD": 1.5082775076326 } }, { "pk": 56, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.24283223659717, - "CD_OE1": 1.26635675192298, - "CB_CG": 1.50323707413785, - "CG_CD_OE1": 118.705425203001, - "CG_CD_OE2": 117.832409436509, - "CA_CB_CG": 115.153991278589, - "CB_CG_CD": 110.679668200301, - "OE1_CD_OE2": 123.462080563972, - "CG_CD": 1.51996629020742 + "CD_OE2": 1.25124496829096, + "CD_OE1": 1.25058992562753, + "CB_CG": 1.52289743796282, + "CG_CD_OE1": 118.748104837765, + "CG_CD_OE2": 118.899280631238, + "CA_CB_CG": 114.025224566047, + "CB_CG_CD": 112.937455785467, + "OE1_CD_OE2": 122.347959103547, + "CG_CD": 1.52090715687026 } }, { "pk": 57, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.2489725770337, - "CD_OE1": 1.25948332735192, - "CB_CG": 1.52664441213935, - "CG_CD_OE1": 118.392945235308, - "CG_CD_OE2": 118.627342468743, - "CA_CB_CG": 115.182346824304, - "CB_CG_CD": 112.432825931695, - "OE1_CD_OE2": 122.979487531954, - "CG_CD": 1.52697181884515 + "CD_OE2": 1.25291560721845, + "CD_OE1": 1.25444062102757, + "CB_CG": 1.51510194690171, + "CG_CD_OE1": 119.096636900159, + "CG_CD_OE2": 118.530065729577, + "CA_CB_CG": 115.82099894459, + "CB_CG_CD": 112.766243544412, + "OE1_CD_OE2": 122.373184769183, + "CG_CD": 1.52508394496324 } }, { "pk": 58, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.26369894753033, - "CD_OE1": 1.25660141761243, - "CB_CG": 1.52353653429226, - "CG_CD_OE1": 118.862381729801, - "CG_CD_OE2": 118.465810264841, - "CA_CB_CG": 113.71229712032, - "CB_CG_CD": 113.68829872819, - "OE1_CD_OE2": 122.671552710158, - "CG_CD": 1.5241747988173 + "CD_OE2": 1.25621103557848, + "CD_OE1": 1.2459000397725, + "CB_CG": 1.5079107224994, + "CG_CD_OE1": 117.006499744312, + "CG_CD_OE2": 119.386141963044, + "CA_CB_CG": 113.918716232422, + "CB_CG_CD": 110.898703401287, + "OE1_CD_OE2": 123.520196160409, + "CG_CD": 1.50788320964003 } }, { "pk": 59, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.24003112460574, - "CD_OE1": 1.25088785928763, - "CB_CG": 1.53027061899584, - "CG_CD_OE1": 119.518566220124, - "CG_CD_OE2": 118.55804365966, - "CA_CB_CG": 112.763873769408, - "CB_CG_CD": 112.97169942948, - "OE1_CD_OE2": 121.923383480931, - "CG_CD": 1.52251323144603 + "CD_OE2": 1.25106549474167, + "CD_OE1": 1.25117026008276, + "CB_CG": 1.53242627805094, + "CG_CD_OE1": 119.724462626292, + "CG_CD_OE2": 118.174870197248, + "CA_CB_CG": 113.956040859148, + "CB_CG_CD": 114.701460264882, + "OE1_CD_OE2": 122.100463232941, + "CG_CD": 1.5323505998939 } }, { "pk": 60, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.2475276152703, - "CD_OE1": 1.25681159580934, - "CB_CG": 1.54346967052634, - "CG_CD_OE1": 120.582505922714, - "CG_CD_OE2": 117.89181331953, - "CA_CB_CG": 113.468302726247, - "CB_CG_CD": 114.651907416712, - "OE1_CD_OE2": 121.52286324732, - "CG_CD": 1.53757237954209 + "CD_OE2": 1.26872078156378, + "CD_OE1": 1.27329667222448, + "CB_CG": 1.51426549959565, + "CG_CD_OE1": 118.355143104897, + "CG_CD_OE2": 116.927200953661, + "CA_CB_CG": 112.757338854559, + "CB_CG_CD": 113.435637199549, + "OE1_CD_OE2": 124.711440685787, + "CG_CD": 1.5204070457998 } }, { "pk": 61, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.23514409489244, - "CD_OE1": 1.25564731162668, - "CB_CG": 1.54052529462526, - "CG_CD_OE1": 119.323749626828, - "CG_CD_OE2": 118.748068903947, - "CA_CB_CG": 113.239751797718, - "CB_CG_CD": 112.038167010905, - "OE1_CD_OE2": 121.908648638067, - "CG_CD": 1.51648675476201 + "CD_OE2": 1.25082514715974, + "CD_OE1": 1.24500628612825, + "CB_CG": 1.52278241536536, + "CG_CD_OE1": 118.771914595487, + "CG_CD_OE2": 117.917350638437, + "CA_CB_CG": 112.725644500278, + "CB_CG_CD": 112.790259860752, + "OE1_CD_OE2": 123.307398002571, + "CG_CD": 1.51851895912609 } }, { "pk": 62, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.24468083864539, - "CD_OE1": 1.24212045860542, - "CB_CG": 1.51811251265815, - "CG_CD_OE1": 117.898052453453, - "CG_CD_OE2": 119.646254659263, - "CA_CB_CG": 114.130690440861, - "CB_CG_CD": 111.462224247774, - "OE1_CD_OE2": 122.455464700456, - "CG_CD": 1.53129630880071 + "CD_OE2": 1.25107783532798, + "CD_OE1": 1.25502005254999, + "CB_CG": 1.51333763347065, + "CG_CD_OE1": 118.317122002148, + "CG_CD_OE2": 118.387069124843, + "CA_CB_CG": 114.999393171146, + "CB_CG_CD": 111.770034984612, + "OE1_CD_OE2": 123.295800015867, + "CG_CD": 1.51345346058654 } }, { "pk": 63, "model": "pgd_core.sidechain_glu", "fields": { - "CD_OE2": 1.24443599155937, - "CD_OE1": 1.24081377338472, - "CB_CG": 1.53553177886229, - "CG_CD_OE1": 118.248124838172, - "CG_CD_OE2": 120.188548526899, - "CA_CB_CG": 114.045765236377, - "CB_CG_CD": 113.040261693155, - "OE1_CD_OE2": 121.563110409956, - "CG_CD": 1.524387391039 + "CD_OE2": 1.24926046888438, + "CD_OE1": 1.2591237988017, + "CB_CG": 1.52842492953181, + "CG_CD_OE1": 119.723629708303, + "CG_CD_OE2": 118.427642352294, + "CA_CB_CG": 115.595298599691, + "CB_CG_CD": 112.437695701991, + "OE1_CD_OE2": 121.843834741426, + "CG_CD": 1.53924781468093 } }, { "pk": 64, "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25499534928666, - "CD_OE1": 1.2447517129817, - "CB_CG": 1.51547224975305, - "CG_CD_OE1": 119.010167307538, - "CG_CD_OE2": 116.898510614652, - "CA_CB_CG": 111.842445188312, - "CB_CG_CD": 112.619240554188, - "OE1_CD_OE2": 124.032382260434, - "CG_CD": 1.5127909529263 - } -}, -{ - "pk": 65, - "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2561508852481, "CD_OE1": 1.26027389877328, @@ -16984,7 +14313,7 @@ } }, { - "pk": 66, + "pk": 65, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25095672918368, @@ -16999,22 +14328,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26814647624587, - "CD_OE1": 1.25384583025011, - "CB_CG": 1.52785960929333, - "CG_CD_OE1": 117.970213156146, - "CG_CD_OE2": 117.230946589063, - "CA_CB_CG": 109.134449877919, - "CB_CG_CD": 114.429110665465, - "OE1_CD_OE2": 124.798363639293, - "CG_CD": 1.5104636794154 - } -}, -{ - "pk": 68, + "pk": 66, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24992879839041, @@ -17029,22 +14343,7 @@ } }, { - "pk": 69, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25458597993489, - "CD_OE1": 1.25077904917853, - "CB_CG": 1.52434468038578, - "CG_CD_OE1": 118.927999893375, - "CG_CD_OE2": 118.569587820911, - "CA_CB_CG": 112.003391866185, - "CB_CG_CD": 113.542352413914, - "OE1_CD_OE2": 122.499705506722, - "CG_CD": 1.51883931987066 - } -}, -{ - "pk": 70, + "pk": 67, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24840250178303, @@ -17059,7 +14358,7 @@ } }, { - "pk": 71, + "pk": 68, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24956947271217, @@ -17074,67 +14373,7 @@ } }, { - "pk": 72, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.23932742221084, - "CD_OE1": 1.25718645927978, - "CB_CG": 1.52087095148359, - "CG_CD_OE1": 120.141749442704, - "CG_CD_OE2": 117.939341720192, - "CA_CB_CG": 112.484734963871, - "CB_CG_CD": 114.137417067379, - "OE1_CD_OE2": 121.917758596758, - "CG_CD": 1.51604992346001 - } -}, -{ - "pk": 73, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24013294018662, - "CD_OE1": 1.2551403547248, - "CB_CG": 1.50977207573601, - "CG_CD_OE1": 121.089192879502, - "CG_CD_OE2": 116.983946508774, - "CA_CB_CG": 115.311588526895, - "CB_CG_CD": 113.455353352615, - "OE1_CD_OE2": 121.883555370605, - "CG_CD": 1.52720783759568 - } -}, -{ - "pk": 74, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25158044670203, - "CD_OE1": 1.26526427255178, - "CB_CG": 1.52246504952675, - "CG_CD_OE1": 119.260396843384, - "CG_CD_OE2": 117.909293899766, - "CA_CB_CG": 114.474276872303, - "CB_CG_CD": 112.522643654435, - "OE1_CD_OE2": 122.829599561582, - "CG_CD": 1.53263011649124 - } -}, -{ - "pk": 75, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24910613135614, - "CD_OE1": 1.25082935120232, - "CB_CG": 1.52779310098941, - "CG_CD_OE1": 119.674037120429, - "CG_CD_OE2": 117.839231672093, - "CA_CB_CG": 116.707799970262, - "CB_CG_CD": 114.865978426019, - "OE1_CD_OE2": 122.48254588302, - "CG_CD": 1.5214865857657 - } -}, -{ - "pk": 76, + "pk": 69, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24797117187857, @@ -17149,22 +14388,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24834311120802, - "CD_OE1": 1.24858103532078, - "CB_CG": 1.51792356433432, - "CG_CD_OE1": 118.799609481448, - "CG_CD_OE2": 118.889785440702, - "CA_CB_CG": 116.340928514317, - "CB_CG_CD": 112.425101659759, - "OE1_CD_OE2": 122.310327583183, - "CG_CD": 1.52748696406839 - } -}, -{ - "pk": 78, + "pk": 70, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25053150023749, @@ -17179,52 +14403,7 @@ } }, { - "pk": 79, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25658971901391, - "CD_OE1": 1.25326414366797, - "CB_CG": 1.52726007800361, - "CG_CD_OE1": 118.640627305411, - "CG_CD_OE2": 118.539687268026, - "CA_CB_CG": 114.124981660917, - "CB_CG_CD": 113.100600383669, - "OE1_CD_OE2": 122.816582464401, - "CG_CD": 1.52440909922752 - } -}, -{ - "pk": 80, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26844689599176, - "CD_OE1": 1.25644199009079, - "CB_CG": 1.52141272829693, - "CG_CD_OE1": 117.407347556294, - "CG_CD_OE2": 117.863148556968, - "CA_CB_CG": 108.896030225569, - "CB_CG_CD": 113.915953282735, - "OE1_CD_OE2": 124.724418817358, - "CG_CD": 1.5054053327418 - } -}, -{ - "pk": 81, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2501796897916, - "CD_OE1": 1.26140021601456, - "CB_CG": 1.51839987168049, - "CG_CD_OE1": 119.093055259027, - "CG_CD_OE2": 118.873354378576, - "CA_CB_CG": 115.666408991123, - "CB_CG_CD": 113.210122042418, - "OE1_CD_OE2": 122.03219627437, - "CG_CD": 1.53891975468673 - } -}, -{ - "pk": 82, + "pk": 71, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25340607762501, @@ -17239,7 +14418,7 @@ } }, { - "pk": 83, + "pk": 72, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24841177544474, @@ -17254,22 +14433,7 @@ } }, { - "pk": 84, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24335843973513, - "CD_OE1": 1.26530385695644, - "CB_CG": 1.52654736711159, - "CG_CD_OE1": 120.428741405059, - "CG_CD_OE2": 118.193358760253, - "CA_CB_CG": 116.106928934023, - "CB_CG_CD": 114.340825454699, - "OE1_CD_OE2": 121.376769108934, - "CG_CD": 1.53162781734571 - } -}, -{ - "pk": 85, + "pk": 73, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25512303481782, @@ -17284,7 +14448,7 @@ } }, { - "pk": 86, + "pk": 74, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2483492904359, @@ -17299,7 +14463,7 @@ } }, { - "pk": 87, + "pk": 75, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25086631066186, @@ -17314,22 +14478,7 @@ } }, { - "pk": 88, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24517540693328, - "CD_OE1": 1.24020951470377, - "CB_CG": 1.53815502867654, - "CG_CD_OE1": 118.274104932889, - "CG_CD_OE2": 119.905606857628, - "CA_CB_CG": 114.34830336685, - "CB_CG_CD": 111.711430192609, - "OE1_CD_OE2": 121.805952695614, - "CG_CD": 1.52627992274939 - } -}, -{ - "pk": 89, + "pk": 76, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25303890208438, @@ -17344,7 +14493,7 @@ } }, { - "pk": 90, + "pk": 77, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25056544234343, @@ -17359,7 +14508,7 @@ } }, { - "pk": 91, + "pk": 78, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2554316077241, @@ -17374,7 +14523,7 @@ } }, { - "pk": 92, + "pk": 79, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2521643597521, @@ -17389,37 +14538,7 @@ } }, { - "pk": 93, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25738427375687, - "CD_OE1": 1.25608350702232, - "CB_CG": 1.52845889243191, - "CG_CD_OE1": 119.17475538463, - "CG_CD_OE2": 118.390164364505, - "CA_CB_CG": 114.691923682468, - "CB_CG_CD": 114.619432899022, - "OE1_CD_OE2": 122.413474879184, - "CG_CD": 1.52609014687812 - } -}, -{ - "pk": 94, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24243036521079, - "CD_OE1": 1.25154770749253, - "CB_CG": 1.52551139707295, - "CG_CD_OE1": 118.29083245245, - "CG_CD_OE2": 118.210501322162, - "CA_CB_CG": 111.763624381652, - "CB_CG_CD": 111.575609670123, - "OE1_CD_OE2": 123.49736268741, - "CG_CD": 1.50217464867009 - } -}, -{ - "pk": 95, + "pk": 80, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25485212489374, @@ -17434,7 +14553,7 @@ } }, { - "pk": 96, + "pk": 81, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25481614708113, @@ -17449,7 +14568,7 @@ } }, { - "pk": 97, + "pk": 82, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24706291002136, @@ -17464,7 +14583,7 @@ } }, { - "pk": 98, + "pk": 83, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25143957178969, @@ -17479,37 +14598,7 @@ } }, { - "pk": 99, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2499325724992, - "CD_OE1": 1.25859531330561, - "CB_CG": 1.52708617411339, - "CG_CD_OE1": 119.520853127415, - "CG_CD_OE2": 119.152150333409, - "CA_CB_CG": 117.933873445766, - "CB_CG_CD": 113.108611702509, - "OE1_CD_OE2": 121.325806510826, - "CG_CD": 1.53822999507523 - } -}, -{ - "pk": 100, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24805387987863, - "CD_OE1": 1.25246728830688, - "CB_CG": 1.51283892703401, - "CG_CD_OE1": 117.965893502438, - "CG_CD_OE2": 118.405961725816, - "CA_CB_CG": 113.980977084699, - "CB_CG_CD": 111.439997939706, - "OE1_CD_OE2": 123.624073224026, - "CG_CD": 1.50782002439115 - } -}, -{ - "pk": 101, + "pk": 84, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25091759547198, @@ -17524,7 +14613,7 @@ } }, { - "pk": 102, + "pk": 85, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24821405852856, @@ -17539,7 +14628,7 @@ } }, { - "pk": 103, + "pk": 86, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25003915153888, @@ -17554,7 +14643,7 @@ } }, { - "pk": 104, + "pk": 87, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25185567647315, @@ -17569,7 +14658,7 @@ } }, { - "pk": 105, + "pk": 88, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2528320783932, @@ -17584,37 +14673,7 @@ } }, { - "pk": 106, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26037169604839, - "CD_OE1": 1.25686767757552, - "CB_CG": 1.53230728480387, - "CG_CD_OE1": 120.480045103949, - "CG_CD_OE2": 118.378527129815, - "CA_CB_CG": 116.021598247239, - "CB_CG_CD": 115.191331873513, - "OE1_CD_OE2": 121.140417860531, - "CG_CD": 1.54110158768931 - } -}, -{ - "pk": 107, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25318716715809, - "CD_OE1": 1.26867606577503, - "CB_CG": 1.52728347644725, - "CG_CD_OE1": 121.464078393809, - "CG_CD_OE2": 115.584370537882, - "CA_CB_CG": 113.223319357344, - "CB_CG_CD": 115.056706437333, - "OE1_CD_OE2": 122.90356099949, - "CG_CD": 1.52205336390871 - } -}, -{ - "pk": 108, + "pk": 89, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24873437871768, @@ -17629,22 +14688,7 @@ } }, { - "pk": 109, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24630401569058, - "CD_OE1": 1.26337622662491, - "CB_CG": 1.49381796639102, - "CG_CD_OE1": 117.354999566025, - "CG_CD_OE2": 117.448580711583, - "CA_CB_CG": 114.872463192081, - "CB_CG_CD": 109.981630471465, - "OE1_CD_OE2": 125.195739574535, - "CG_CD": 1.50584776338603 - } -}, -{ - "pk": 110, + "pk": 90, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25079012333318, @@ -17659,37 +14703,7 @@ } }, { - "pk": 111, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2538978583381, - "CD_OE1": 1.24476264694817, - "CB_CG": 1.52498292978342, - "CG_CD_OE1": 120.37641418672, - "CG_CD_OE2": 118.428109183694, - "CA_CB_CG": 116.1603787749, - "CB_CG_CD": 114.315646958782, - "OE1_CD_OE2": 121.125211333916, - "CG_CD": 1.5204743464997 - } -}, -{ - "pk": 112, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24779040627856, - "CD_OE1": 1.2533243804491, - "CB_CG": 1.52629272994178, - "CG_CD_OE1": 119.324890646139, - "CG_CD_OE2": 118.89379946879, - "CA_CB_CG": 111.816182722069, - "CB_CG_CD": 113.895491416591, - "OE1_CD_OE2": 121.781182994038, - "CG_CD": 1.5198236578794 - } -}, -{ - "pk": 113, + "pk": 91, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24349249301066, @@ -17704,37 +14718,7 @@ } }, { - "pk": 114, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24102110389396, - "CD_OE1": 1.2553417114359, - "CB_CG": 1.52248178609017, - "CG_CD_OE1": 119.298874422568, - "CG_CD_OE2": 118.41028863821, - "CA_CB_CG": 112.923061168145, - "CB_CG_CD": 112.26946016317, - "OE1_CD_OE2": 122.290669201523, - "CG_CD": 1.53855223348728 - } -}, -{ - "pk": 115, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24847226113614, - "CD_OE1": 1.24014005563464, - "CB_CG": 1.52513663336915, - "CG_CD_OE1": 118.507034920282, - "CG_CD_OE2": 119.203498828438, - "CA_CB_CG": 113.07511354972, - "CB_CG_CD": 111.962501642057, - "OE1_CD_OE2": 122.278753280146, - "CG_CD": 1.51910273391536 - } -}, -{ - "pk": 116, + "pk": 92, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25257073779445, @@ -17749,7 +14733,7 @@ } }, { - "pk": 117, + "pk": 93, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25629552909404, @@ -17764,22 +14748,7 @@ } }, { - "pk": 118, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25291902553007, - "CD_OE1": 1.25478342374029, - "CB_CG": 1.52708783707876, - "CG_CD_OE1": 118.023456571523, - "CG_CD_OE2": 118.349642337729, - "CA_CB_CG": 113.846076990525, - "CB_CG_CD": 112.029341138886, - "OE1_CD_OE2": 123.624327831392, - "CG_CD": 1.51232362586478 - } -}, -{ - "pk": 119, + "pk": 94, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24920493316761, @@ -17794,22 +14763,7 @@ } }, { - "pk": 120, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25432691039694, - "CD_OE1": 1.24992137435141, - "CB_CG": 1.52284075113258, - "CG_CD_OE1": 117.596410983201, - "CG_CD_OE2": 120.662961426168, - "CA_CB_CG": 113.190046789088, - "CB_CG_CD": 111.949346219136, - "OE1_CD_OE2": 121.736283761042, - "CG_CD": 1.52317297374908 - } -}, -{ - "pk": 121, + "pk": 95, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25423769703283, @@ -17824,7 +14778,7 @@ } }, { - "pk": 122, + "pk": 96, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25798864406308, @@ -17839,7 +14793,7 @@ } }, { - "pk": 123, + "pk": 97, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25670572903417, @@ -17854,22 +14808,7 @@ } }, { - "pk": 124, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26971786693761, - "CD_OE1": 1.25142311372161, - "CB_CG": 1.53883245197108, - "CG_CD_OE1": 117.552137238688, - "CG_CD_OE2": 121.181430564051, - "CA_CB_CG": 115.7731576471, - "CB_CG_CD": 111.869115995107, - "OE1_CD_OE2": 121.253151837767, - "CG_CD": 1.53244506092279 - } -}, -{ - "pk": 125, + "pk": 98, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25391265277268, @@ -17884,67 +14823,7 @@ } }, { - "pk": 126, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2456477665084, - "CD_OE1": 1.25280473310784, - "CB_CG": 1.52086829465681, - "CG_CD_OE1": 119.122491774184, - "CG_CD_OE2": 118.76284894008, - "CA_CB_CG": 113.614647363309, - "CB_CG_CD": 113.071410374913, - "OE1_CD_OE2": 122.100238817651, - "CG_CD": 1.52689708121836 - } -}, -{ - "pk": 127, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26892890598663, - "CD_OE1": 1.25289733705196, - "CB_CG": 1.52606612344573, - "CG_CD_OE1": 118.146045338259, - "CG_CD_OE2": 119.380362084552, - "CA_CB_CG": 115.182192187377, - "CB_CG_CD": 112.233815059678, - "OE1_CD_OE2": 122.435303499395, - "CG_CD": 1.5305184275805 - } -}, -{ - "pk": 128, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25593067183479, - "CD_OE1": 1.25700381081181, - "CB_CG": 1.52110580935447, - "CG_CD_OE1": 118.784777180736, - "CG_CD_OE2": 117.935794366261, - "CA_CB_CG": 114.370510201543, - "CB_CG_CD": 113.4896184769, - "OE1_CD_OE2": 123.279372666474, - "CG_CD": 1.51513049016347 - } -}, -{ - "pk": 129, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24559763792897, - "CD_OE1": 1.25141693964388, - "CB_CG": 1.50999821958114, - "CG_CD_OE1": 118.971937943339, - "CG_CD_OE2": 118.431733451689, - "CA_CB_CG": 115.118221428818, - "CB_CG_CD": 112.199197762515, - "OE1_CD_OE2": 122.595432750678, - "CG_CD": 1.52789568385729 - } -}, -{ - "pk": 130, + "pk": 99, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25368864243556, @@ -17959,82 +14838,7 @@ } }, { - "pk": 131, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2601125179739, - "CD_OE1": 1.25437541307637, - "CB_CG": 1.53455292984334, - "CG_CD_OE1": 117.606980240067, - "CG_CD_OE2": 120.137062631803, - "CA_CB_CG": 113.935392172651, - "CB_CG_CD": 112.821988105046, - "OE1_CD_OE2": 122.252202591993, - "CG_CD": 1.52328053304199 - } -}, -{ - "pk": 132, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.23657005915905, - "CD_OE1": 1.25385183162552, - "CB_CG": 1.51288133509721, - "CG_CD_OE1": 120.073546838173, - "CG_CD_OE2": 117.586619884385, - "CA_CB_CG": 116.183985506862, - "CB_CG_CD": 113.166707404375, - "OE1_CD_OE2": 122.336350889795, - "CG_CD": 1.52565237632093 - } -}, -{ - "pk": 133, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24329916964133, - "CD_OE1": 1.24222863502615, - "CB_CG": 1.51806995032727, - "CG_CD_OE1": 118.806519696268, - "CG_CD_OE2": 119.046663946754, - "CA_CB_CG": 115.598020495737, - "CB_CG_CD": 112.901481805616, - "OE1_CD_OE2": 122.098215592108, - "CG_CD": 1.51795789007896 - } -}, -{ - "pk": 134, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25142291640254, - "CD_OE1": 1.25410208977386, - "CB_CG": 1.50552547884176, - "CG_CD_OE1": 118.307322604539, - "CG_CD_OE2": 118.231399398754, - "CA_CB_CG": 116.829487543412, - "CB_CG_CD": 111.178654536836, - "OE1_CD_OE2": 123.455629229569, - "CG_CD": 1.51456401766085 - } -}, -{ - "pk": 135, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25255220122233, - "CD_OE1": 1.25451163879613, - "CB_CG": 1.51600370196469, - "CG_CD_OE1": 118.740160537184, - "CG_CD_OE2": 118.226055540354, - "CA_CB_CG": 115.607999925338, - "CB_CG_CD": 113.25087076835, - "OE1_CD_OE2": 123.033024256813, - "CG_CD": 1.51726748657713 - } -}, -{ - "pk": 136, + "pk": 100, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25925968503371, @@ -18049,37 +14853,7 @@ } }, { - "pk": 137, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25223524988136, - "CD_OE1": 1.25134455865668, - "CB_CG": 1.52366015441015, - "CG_CD_OE1": 118.139187353724, - "CG_CD_OE2": 118.90910434827, - "CA_CB_CG": 114.61400962771, - "CB_CG_CD": 112.263737703546, - "OE1_CD_OE2": 122.949691494429, - "CG_CD": 1.51932356524297 - } -}, -{ - "pk": 138, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24969173099877, - "CD_OE1": 1.24818701427768, - "CB_CG": 1.52338774266785, - "CG_CD_OE1": 118.821485704287, - "CG_CD_OE2": 118.701988120174, - "CA_CB_CG": 115.103548824976, - "CB_CG_CD": 112.892720334715, - "OE1_CD_OE2": 122.473086181704, - "CG_CD": 1.52064871644899 - } -}, -{ - "pk": 139, + "pk": 101, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25200145381576, @@ -18094,97 +14868,7 @@ } }, { - "pk": 140, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.2754937636322, - "CD_OE1": 1.26015094275787, - "CB_CG": 1.52922915937782, - "CG_CD_OE1": 119.066384079471, - "CG_CD_OE2": 118.415443806857, - "CA_CB_CG": 113.858825687033, - "CB_CG_CD": 114.49319457389, - "OE1_CD_OE2": 122.51660139015, - "CG_CD": 1.52011521805467 - } -}, -{ - "pk": 141, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25939390927706, - "CD_OE1": 1.25571157118683, - "CB_CG": 1.53064473781108, - "CG_CD_OE1": 118.828363601718, - "CG_CD_OE2": 117.71224876178, - "CA_CB_CG": 114.274442729339, - "CB_CG_CD": 112.874448999745, - "OE1_CD_OE2": 123.450402800221, - "CG_CD": 1.52489753977371 - } -}, -{ - "pk": 142, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25068778140473, - "CD_OE1": 1.25420333911784, - "CB_CG": 1.52693021393102, - "CG_CD_OE1": 118.348085570778, - "CG_CD_OE2": 118.857703889966, - "CA_CB_CG": 114.624509097867, - "CB_CG_CD": 112.061392432025, - "OE1_CD_OE2": 122.793764160723, - "CG_CD": 1.514509702481 - } -}, -{ - "pk": 143, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24159765615174, - "CD_OE1": 1.25634284018216, - "CB_CG": 1.51907122528089, - "CG_CD_OE1": 120.699036379402, - "CG_CD_OE2": 116.246051116769, - "CA_CB_CG": 113.082905678641, - "CB_CG_CD": 114.9359222508, - "OE1_CD_OE2": 122.999103919789, - "CG_CD": 1.51259157415819 - } -}, -{ - "pk": 144, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24976310465722, - "CD_OE1": 1.2492481832964, - "CB_CG": 1.51597496375025, - "CG_CD_OE1": 119.969526798629, - "CG_CD_OE2": 117.05514129384, - "CA_CB_CG": 112.90690283197, - "CB_CG_CD": 114.039296250026, - "OE1_CD_OE2": 122.974742694969, - "CG_CD": 1.52121124199885 - } -}, -{ - "pk": 145, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26018980648917, - "CD_OE1": 1.26756437335, - "CB_CG": 1.53568333210436, - "CG_CD_OE1": 121.062233687361, - "CG_CD_OE2": 116.917095365178, - "CA_CB_CG": 114.596782355311, - "CB_CG_CD": 115.043179164985, - "OE1_CD_OE2": 122.018061878689, - "CG_CD": 1.54560974114094 - } -}, -{ - "pk": 146, + "pk": 102, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24858247445401, @@ -18199,7 +14883,7 @@ } }, { - "pk": 147, + "pk": 103, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25254598224183, @@ -18214,7 +14898,7 @@ } }, { - "pk": 148, + "pk": 104, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25032431197589, @@ -18229,22 +14913,7 @@ } }, { - "pk": 149, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25104466672803, - "CD_OE1": 1.25568781062792, - "CB_CG": 1.52100962676294, - "CG_CD_OE1": 120.215483606524, - "CG_CD_OE2": 117.199319190051, - "CA_CB_CG": 112.09988610922, - "CB_CG_CD": 114.748662015422, - "OE1_CD_OE2": 122.585180067403, - "CG_CD": 1.51944790623394 - } -}, -{ - "pk": 150, + "pk": 105, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25638451852957, @@ -18259,7 +14928,7 @@ } }, { - "pk": 151, + "pk": 106, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24891180809373, @@ -18274,7 +14943,7 @@ } }, { - "pk": 152, + "pk": 107, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25142220631312, @@ -18289,7 +14958,7 @@ } }, { - "pk": 153, + "pk": 108, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25263296727837, @@ -18304,7 +14973,7 @@ } }, { - "pk": 154, + "pk": 109, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25679538726646, @@ -18319,22 +14988,7 @@ } }, { - "pk": 155, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26290086867282, - "CD_OE1": 1.27656124786029, - "CB_CG": 1.5388307783976, - "CG_CD_OE1": 121.420978744894, - "CG_CD_OE2": 117.179181296539, - "CA_CB_CG": 114.51094339922, - "CB_CG_CD": 116.120625109026, - "OE1_CD_OE2": 121.363405974765, - "CG_CD": 1.54514239426151 - } -}, -{ - "pk": 156, + "pk": 110, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25806958827074, @@ -18349,7 +15003,7 @@ } }, { - "pk": 157, + "pk": 111, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25558403144831, @@ -18364,7 +15018,7 @@ } }, { - "pk": 158, + "pk": 112, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25574670266564, @@ -18379,22 +15033,7 @@ } }, { - "pk": 159, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24469633006342, - "CD_OE1": 1.26489171366753, - "CB_CG": 1.50463037173365, - "CG_CD_OE1": 119.469001016495, - "CG_CD_OE2": 118.021740276061, - "CA_CB_CG": 115.086730715857, - "CB_CG_CD": 111.913524895644, - "OE1_CD_OE2": 122.500083780452, - "CG_CD": 1.53200936461524 - } -}, -{ - "pk": 160, + "pk": 113, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25163289501849, @@ -18409,37 +15048,7 @@ } }, { - "pk": 161, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.22588957826652, - "CD_OE1": 1.25935470122925, - "CB_CG": 1.50943663992102, - "CG_CD_OE1": 120.827180542535, - "CG_CD_OE2": 116.037109777531, - "CA_CB_CG": 112.036658570991, - "CB_CG_CD": 112.254844900794, - "OE1_CD_OE2": 123.13138533682, - "CG_CD": 1.49438418218136 - } -}, -{ - "pk": 162, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25482825197545, - "CD_OE1": 1.25472891347766, - "CB_CG": 1.51325107271294, - "CG_CD_OE1": 117.825997186487, - "CG_CD_OE2": 119.176026122596, - "CA_CB_CG": 115.376835380979, - "CB_CG_CD": 110.831192717832, - "OE1_CD_OE2": 122.994220518871, - "CG_CD": 1.51775725346544 - } -}, -{ - "pk": 163, + "pk": 114, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2507916645918, @@ -18454,7 +15063,7 @@ } }, { - "pk": 164, + "pk": 115, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24944004534081, @@ -18469,22 +15078,7 @@ } }, { - "pk": 165, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24238927379297, - "CD_OE1": 1.26574012282714, - "CB_CG": 1.50105849193596, - "CG_CD_OE1": 121.160576420457, - "CG_CD_OE2": 114.900001775039, - "CA_CB_CG": 111.510389089988, - "CB_CG_CD": 115.053007994625, - "OE1_CD_OE2": 123.905119128559, - "CG_CD": 1.5082775076326 - } -}, -{ - "pk": 166, + "pk": 116, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25446035301579, @@ -18499,37 +15093,7 @@ } }, { - "pk": 167, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25124496829096, - "CD_OE1": 1.25058992562753, - "CB_CG": 1.52289743796282, - "CG_CD_OE1": 118.748104837765, - "CG_CD_OE2": 118.899280631238, - "CA_CB_CG": 114.025224566047, - "CB_CG_CD": 112.937455785467, - "OE1_CD_OE2": 122.347959103547, - "CG_CD": 1.52090715687026 - } -}, -{ - "pk": 168, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25291560721845, - "CD_OE1": 1.25444062102757, - "CB_CG": 1.51510194690171, - "CG_CD_OE1": 119.096636900159, - "CG_CD_OE2": 118.530065729577, - "CA_CB_CG": 115.82099894459, - "CB_CG_CD": 112.766243544412, - "OE1_CD_OE2": 122.373184769183, - "CG_CD": 1.52508394496324 - } -}, -{ - "pk": 169, + "pk": 117, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25333713112275, @@ -18544,22 +15108,7 @@ } }, { - "pk": 170, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25621103557848, - "CD_OE1": 1.2459000397725, - "CB_CG": 1.5079107224994, - "CG_CD_OE1": 117.006499744312, - "CG_CD_OE2": 119.386141963044, - "CA_CB_CG": 113.918716232422, - "CB_CG_CD": 110.898703401287, - "OE1_CD_OE2": 123.520196160409, - "CG_CD": 1.50788320964003 - } -}, -{ - "pk": 171, + "pk": 118, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26174379441101, @@ -18574,22 +15123,7 @@ } }, { - "pk": 172, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25106549474167, - "CD_OE1": 1.25117026008276, - "CB_CG": 1.53242627805094, - "CG_CD_OE1": 119.724462626292, - "CG_CD_OE2": 118.174870197248, - "CA_CB_CG": 113.956040859148, - "CB_CG_CD": 114.701460264882, - "OE1_CD_OE2": 122.100463232941, - "CG_CD": 1.5323505998939 - } -}, -{ - "pk": 173, + "pk": 119, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25197987764526, @@ -18604,37 +15138,7 @@ } }, { - "pk": 174, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.26872078156378, - "CD_OE1": 1.27329667222448, - "CB_CG": 1.51426549959565, - "CG_CD_OE1": 118.355143104897, - "CG_CD_OE2": 116.927200953661, - "CA_CB_CG": 112.757338854559, - "CB_CG_CD": 113.435637199549, - "OE1_CD_OE2": 124.711440685787, - "CG_CD": 1.5204070457998 - } -}, -{ - "pk": 175, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25082514715974, - "CD_OE1": 1.24500628612825, - "CB_CG": 1.52278241536536, - "CG_CD_OE1": 118.771914595487, - "CG_CD_OE2": 117.917350638437, - "CA_CB_CG": 112.725644500278, - "CB_CG_CD": 112.790259860752, - "OE1_CD_OE2": 123.307398002571, - "CG_CD": 1.51851895912609 - } -}, -{ - "pk": 176, + "pk": 120, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25289817223366, @@ -18649,22 +15153,7 @@ } }, { - "pk": 177, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.25107783532798, - "CD_OE1": 1.25502005254999, - "CB_CG": 1.51333763347065, - "CG_CD_OE1": 118.317122002148, - "CG_CD_OE2": 118.387069124843, - "CA_CB_CG": 114.999393171146, - "CB_CG_CD": 111.770034984612, - "OE1_CD_OE2": 123.295800015867, - "CG_CD": 1.51345346058654 - } -}, -{ - "pk": 178, + "pk": 121, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25719874332295, @@ -18679,7 +15168,7 @@ } }, { - "pk": 179, + "pk": 122, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25712264002905, @@ -18694,7 +15183,7 @@ } }, { - "pk": 180, + "pk": 123, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26072481426536, @@ -18709,7 +15198,7 @@ } }, { - "pk": 181, + "pk": 124, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24927527414773, @@ -18724,22 +15213,7 @@ } }, { - "pk": 182, - "model": "pgd_core.sidechain_glu", - "fields": { - "CD_OE2": 1.24926046888438, - "CD_OE1": 1.2591237988017, - "CB_CG": 1.52842492953181, - "CG_CD_OE1": 119.723629708303, - "CG_CD_OE2": 118.427642352294, - "CA_CB_CG": 115.595298599691, - "CB_CG_CD": 112.437695701991, - "OE1_CD_OE2": 121.843834741426, - "CG_CD": 1.53924781468093 - } -}, -{ - "pk": 183, + "pk": 125, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25206225841693, @@ -18754,7 +15228,7 @@ } }, { - "pk": 184, + "pk": 126, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25764427972328, @@ -18769,7 +15243,7 @@ } }, { - "pk": 185, + "pk": 127, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25466498432991, @@ -18784,7 +15258,7 @@ } }, { - "pk": 186, + "pk": 128, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25278036652799, @@ -18799,7 +15273,7 @@ } }, { - "pk": 187, + "pk": 129, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25636067168377, @@ -18814,7 +15288,7 @@ } }, { - "pk": 188, + "pk": 130, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25291655589612, @@ -18829,7 +15303,7 @@ } }, { - "pk": 189, + "pk": 131, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25225110563136, @@ -18844,7 +15318,7 @@ } }, { - "pk": 190, + "pk": 132, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26030856089025, @@ -18859,7 +15333,7 @@ } }, { - "pk": 191, + "pk": 133, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2540500291423, @@ -18874,7 +15348,7 @@ } }, { - "pk": 192, + "pk": 134, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25315131244525, @@ -18889,7 +15363,7 @@ } }, { - "pk": 193, + "pk": 135, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25098085391655, @@ -18904,7 +15378,7 @@ } }, { - "pk": 194, + "pk": 136, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24407349976381, @@ -18919,7 +15393,7 @@ } }, { - "pk": 195, + "pk": 137, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2510709069997, @@ -18934,7 +15408,7 @@ } }, { - "pk": 196, + "pk": 138, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.245730610932, @@ -18949,7 +15423,7 @@ } }, { - "pk": 197, + "pk": 139, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25008756854247, @@ -18964,7 +15438,7 @@ } }, { - "pk": 198, + "pk": 140, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25406471641377, @@ -18979,7 +15453,7 @@ } }, { - "pk": 199, + "pk": 141, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25402115065334, @@ -18994,7 +15468,7 @@ } }, { - "pk": 200, + "pk": 142, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25060846676273, @@ -19009,7 +15483,7 @@ } }, { - "pk": 201, + "pk": 143, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24909189015048, @@ -19024,7 +15498,7 @@ } }, { - "pk": 202, + "pk": 144, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24952567371871, @@ -19039,7 +15513,7 @@ } }, { - "pk": 203, + "pk": 145, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25086680101396, @@ -19054,7 +15528,7 @@ } }, { - "pk": 204, + "pk": 146, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25254463176984, @@ -19069,7 +15543,7 @@ } }, { - "pk": 205, + "pk": 147, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2526792513088, @@ -19084,7 +15558,7 @@ } }, { - "pk": 206, + "pk": 148, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25091013592551, @@ -19099,7 +15573,7 @@ } }, { - "pk": 207, + "pk": 149, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25253813453257, @@ -19114,7 +15588,7 @@ } }, { - "pk": 208, + "pk": 150, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25048145490527, @@ -19129,7 +15603,7 @@ } }, { - "pk": 209, + "pk": 151, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25684021768049, @@ -19144,7 +15618,7 @@ } }, { - "pk": 210, + "pk": 152, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25288691010039, @@ -19159,7 +15633,7 @@ } }, { - "pk": 211, + "pk": 153, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2453940334629, @@ -19174,7 +15648,7 @@ } }, { - "pk": 212, + "pk": 154, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25431872514573, @@ -19189,7 +15663,7 @@ } }, { - "pk": 213, + "pk": 155, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25632539375847, @@ -19204,7 +15678,7 @@ } }, { - "pk": 214, + "pk": 156, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25025614373934, @@ -19219,7 +15693,7 @@ } }, { - "pk": 215, + "pk": 157, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2487914526908, @@ -19234,7 +15708,7 @@ } }, { - "pk": 216, + "pk": 158, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24949374821634, @@ -19249,7 +15723,7 @@ } }, { - "pk": 217, + "pk": 159, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24772700299956, @@ -19264,7 +15738,7 @@ } }, { - "pk": 218, + "pk": 160, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2502000999548, @@ -19279,7 +15753,7 @@ } }, { - "pk": 219, + "pk": 161, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25793071589025, @@ -19294,7 +15768,7 @@ } }, { - "pk": 220, + "pk": 162, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25915986119547, @@ -19309,7 +15783,7 @@ } }, { - "pk": 221, + "pk": 163, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24856706801631, @@ -19324,7 +15798,7 @@ } }, { - "pk": 222, + "pk": 164, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24865053696187, @@ -19339,7 +15813,7 @@ } }, { - "pk": 223, + "pk": 165, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25438777563464, @@ -19354,7 +15828,7 @@ } }, { - "pk": 224, + "pk": 166, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25063637361537, @@ -19369,7 +15843,7 @@ } }, { - "pk": 225, + "pk": 167, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25154706843936, @@ -19384,7 +15858,7 @@ } }, { - "pk": 226, + "pk": 168, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25578169147976, @@ -19399,7 +15873,7 @@ } }, { - "pk": 227, + "pk": 169, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26349461728339, @@ -19414,7 +15888,7 @@ } }, { - "pk": 228, + "pk": 170, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25675080086926, @@ -19429,7 +15903,7 @@ } }, { - "pk": 229, + "pk": 171, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25305349568626, @@ -19444,7 +15918,7 @@ } }, { - "pk": 230, + "pk": 172, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25520352886256, @@ -19459,7 +15933,7 @@ } }, { - "pk": 231, + "pk": 173, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25570440044135, @@ -19474,7 +15948,7 @@ } }, { - "pk": 232, + "pk": 174, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25145009228237, @@ -19489,7 +15963,7 @@ } }, { - "pk": 233, + "pk": 175, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24687755688003, @@ -19504,7 +15978,7 @@ } }, { - "pk": 234, + "pk": 176, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2516033717491, @@ -19519,7 +15993,7 @@ } }, { - "pk": 235, + "pk": 177, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24996276462409, @@ -19534,7 +16008,7 @@ } }, { - "pk": 236, + "pk": 178, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25386215565005, @@ -19549,7 +16023,7 @@ } }, { - "pk": 237, + "pk": 179, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25558331033844, @@ -19564,7 +16038,7 @@ } }, { - "pk": 238, + "pk": 180, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25714588911679, @@ -19579,7 +16053,7 @@ } }, { - "pk": 239, + "pk": 181, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25486990595847, @@ -19594,7 +16068,7 @@ } }, { - "pk": 240, + "pk": 182, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24288949150051, @@ -19609,7 +16083,7 @@ } }, { - "pk": 241, + "pk": 183, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24204489012613, @@ -19624,7 +16098,7 @@ } }, { - "pk": 242, + "pk": 184, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25236465348355, @@ -19639,7 +16113,7 @@ } }, { - "pk": 243, + "pk": 185, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25448626235061, @@ -19654,7 +16128,7 @@ } }, { - "pk": 244, + "pk": 186, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24911325330953, @@ -19669,7 +16143,7 @@ } }, { - "pk": 245, + "pk": 187, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25386781353675, @@ -19684,7 +16158,7 @@ } }, { - "pk": 246, + "pk": 188, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25542261409889, @@ -19699,7 +16173,7 @@ } }, { - "pk": 247, + "pk": 189, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25159812009867, @@ -19714,7 +16188,7 @@ } }, { - "pk": 248, + "pk": 190, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24953751229428, @@ -19729,7 +16203,7 @@ } }, { - "pk": 249, + "pk": 191, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25647062558443, @@ -19744,7 +16218,7 @@ } }, { - "pk": 250, + "pk": 192, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25038965385366, @@ -19759,7 +16233,7 @@ } }, { - "pk": 251, + "pk": 193, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25109517081109, @@ -19774,7 +16248,7 @@ } }, { - "pk": 252, + "pk": 194, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24981821026882, @@ -19789,7 +16263,7 @@ } }, { - "pk": 253, + "pk": 195, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25065367728853, @@ -19804,7 +16278,7 @@ } }, { - "pk": 254, + "pk": 196, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25394016869538, @@ -19819,7 +16293,7 @@ } }, { - "pk": 255, + "pk": 197, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24815749299548, @@ -19834,7 +16308,7 @@ } }, { - "pk": 256, + "pk": 198, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25418182564624, @@ -19849,7 +16323,7 @@ } }, { - "pk": 257, + "pk": 199, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25524032544901, @@ -19864,7 +16338,7 @@ } }, { - "pk": 258, + "pk": 200, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25365954845621, @@ -19879,7 +16353,7 @@ } }, { - "pk": 259, + "pk": 201, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26070838599074, @@ -19894,7 +16368,7 @@ } }, { - "pk": 260, + "pk": 202, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25310514912949, @@ -19909,7 +16383,7 @@ } }, { - "pk": 261, + "pk": 203, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25792996814877, @@ -19924,7 +16398,7 @@ } }, { - "pk": 262, + "pk": 204, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25146561523589, @@ -19939,7 +16413,7 @@ } }, { - "pk": 263, + "pk": 205, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24799073572883, @@ -19954,7 +16428,7 @@ } }, { - "pk": 264, + "pk": 206, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25031241219636, @@ -19969,7 +16443,7 @@ } }, { - "pk": 265, + "pk": 207, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25353058481889, @@ -19984,7 +16458,7 @@ } }, { - "pk": 266, + "pk": 208, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24963949981759, @@ -19999,7 +16473,7 @@ } }, { - "pk": 267, + "pk": 209, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25718183490825, @@ -20014,7 +16488,7 @@ } }, { - "pk": 268, + "pk": 210, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25354828459561, @@ -20029,7 +16503,7 @@ } }, { - "pk": 269, + "pk": 211, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25520897622141, @@ -20044,7 +16518,7 @@ } }, { - "pk": 270, + "pk": 212, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25250270022685, @@ -20059,7 +16533,7 @@ } }, { - "pk": 271, + "pk": 213, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25003077865055, @@ -20074,7 +16548,7 @@ } }, { - "pk": 272, + "pk": 214, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24929639056133, @@ -20089,7 +16563,7 @@ } }, { - "pk": 273, + "pk": 215, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24935654932289, @@ -20104,7 +16578,7 @@ } }, { - "pk": 274, + "pk": 216, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24016384012533, @@ -20119,7 +16593,7 @@ } }, { - "pk": 275, + "pk": 217, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2537134429201, @@ -20134,7 +16608,7 @@ } }, { - "pk": 276, + "pk": 218, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25449301833169, @@ -20149,7 +16623,7 @@ } }, { - "pk": 277, + "pk": 219, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25694054940716, @@ -20164,7 +16638,7 @@ } }, { - "pk": 278, + "pk": 220, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25183053785068, @@ -20179,7 +16653,7 @@ } }, { - "pk": 279, + "pk": 221, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25776945422263, @@ -20194,7 +16668,7 @@ } }, { - "pk": 280, + "pk": 222, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2447782453034, @@ -20209,7 +16683,7 @@ } }, { - "pk": 281, + "pk": 223, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25438102616943, @@ -20224,7 +16698,7 @@ } }, { - "pk": 282, + "pk": 224, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24945736040001, @@ -20239,7 +16713,7 @@ } }, { - "pk": 283, + "pk": 225, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25397409370424, @@ -20254,7 +16728,7 @@ } }, { - "pk": 284, + "pk": 226, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24724212827729, @@ -20269,7 +16743,7 @@ } }, { - "pk": 285, + "pk": 227, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25918549193674, @@ -20284,7 +16758,7 @@ } }, { - "pk": 286, + "pk": 228, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24863712089162, @@ -20299,7 +16773,7 @@ } }, { - "pk": 287, + "pk": 229, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.26030459265092, @@ -20314,7 +16788,7 @@ } }, { - "pk": 288, + "pk": 230, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24422748230077, @@ -20329,7 +16803,7 @@ } }, { - "pk": 289, + "pk": 231, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2484005500801, @@ -20344,7 +16818,7 @@ } }, { - "pk": 290, + "pk": 232, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25523294911015, @@ -20359,7 +16833,7 @@ } }, { - "pk": 291, + "pk": 233, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24882728921111, @@ -20374,7 +16848,7 @@ } }, { - "pk": 292, + "pk": 234, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2588081306528, @@ -20389,7 +16863,7 @@ } }, { - "pk": 293, + "pk": 235, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24321161484218, @@ -20404,7 +16878,7 @@ } }, { - "pk": 294, + "pk": 236, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25124159664062, @@ -20419,7 +16893,7 @@ } }, { - "pk": 295, + "pk": 237, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25049071639906, @@ -20434,7 +16908,7 @@ } }, { - "pk": 296, + "pk": 238, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24434897056369, @@ -20449,7 +16923,7 @@ } }, { - "pk": 297, + "pk": 239, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25309044260986, @@ -20464,7 +16938,7 @@ } }, { - "pk": 298, + "pk": 240, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25589046165875, @@ -20479,7 +16953,7 @@ } }, { - "pk": 299, + "pk": 241, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24225290745221, @@ -20494,7 +16968,7 @@ } }, { - "pk": 300, + "pk": 242, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24992207236354, @@ -20509,7 +16983,7 @@ } }, { - "pk": 301, + "pk": 243, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24841227000286, @@ -20524,7 +16998,7 @@ } }, { - "pk": 302, + "pk": 244, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25298732851714, @@ -20539,7 +17013,7 @@ } }, { - "pk": 303, + "pk": 245, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25481489565857, @@ -20554,7 +17028,7 @@ } }, { - "pk": 304, + "pk": 246, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24593189452715, @@ -20569,7 +17043,7 @@ } }, { - "pk": 305, + "pk": 247, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.23927770463646, @@ -20584,7 +17058,7 @@ } }, { - "pk": 306, + "pk": 248, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25019268189178, @@ -20599,7 +17073,7 @@ } }, { - "pk": 307, + "pk": 249, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24681177197872, @@ -20614,7 +17088,7 @@ } }, { - "pk": 308, + "pk": 250, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25408926129996, @@ -20629,7 +17103,7 @@ } }, { - "pk": 309, + "pk": 251, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24778642793738, @@ -20644,7 +17118,7 @@ } }, { - "pk": 310, + "pk": 252, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25580516443681, @@ -20659,7 +17133,7 @@ } }, { - "pk": 311, + "pk": 253, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25074257557752, @@ -20674,7 +17148,7 @@ } }, { - "pk": 312, + "pk": 254, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25868641149803, @@ -20689,7 +17163,7 @@ } }, { - "pk": 313, + "pk": 255, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24942370018564, @@ -20704,7 +17178,7 @@ } }, { - "pk": 314, + "pk": 256, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24786619427908, @@ -20719,7 +17193,7 @@ } }, { - "pk": 315, + "pk": 257, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25229592006962, @@ -20734,7 +17208,7 @@ } }, { - "pk": 316, + "pk": 258, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25252120673561, @@ -20749,7 +17223,7 @@ } }, { - "pk": 317, + "pk": 259, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25232293173258, @@ -20764,7 +17238,7 @@ } }, { - "pk": 318, + "pk": 260, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25315315105902, @@ -20779,7 +17253,7 @@ } }, { - "pk": 319, + "pk": 261, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25313118099739, @@ -20794,7 +17268,7 @@ } }, { - "pk": 320, + "pk": 262, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25274254653765, @@ -20809,7 +17283,7 @@ } }, { - "pk": 321, + "pk": 263, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25380957259911, @@ -20824,7 +17298,7 @@ } }, { - "pk": 322, + "pk": 264, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2510332694274, @@ -20839,7 +17313,7 @@ } }, { - "pk": 323, + "pk": 265, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25625373359854, @@ -20854,7 +17328,7 @@ } }, { - "pk": 324, + "pk": 266, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25371257354011, @@ -20869,7 +17343,7 @@ } }, { - "pk": 325, + "pk": 267, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25689978016995, @@ -20884,7 +17358,7 @@ } }, { - "pk": 326, + "pk": 268, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2468993750523, @@ -20899,7 +17373,7 @@ } }, { - "pk": 327, + "pk": 269, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25259308903008, @@ -20914,7 +17388,7 @@ } }, { - "pk": 328, + "pk": 270, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25346740371238, @@ -20929,7 +17403,7 @@ } }, { - "pk": 329, + "pk": 271, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25170743026585, @@ -20944,7 +17418,7 @@ } }, { - "pk": 330, + "pk": 272, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25156530951358, @@ -20959,7 +17433,7 @@ } }, { - "pk": 331, + "pk": 273, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25553781045672, @@ -20974,7 +17448,7 @@ } }, { - "pk": 332, + "pk": 274, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25524162440734, @@ -20989,7 +17463,7 @@ } }, { - "pk": 333, + "pk": 275, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25199009914146, @@ -21004,7 +17478,7 @@ } }, { - "pk": 334, + "pk": 276, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25363941950378, @@ -21019,7 +17493,7 @@ } }, { - "pk": 335, + "pk": 277, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25150324779035, @@ -21034,7 +17508,7 @@ } }, { - "pk": 336, + "pk": 278, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24699554090495, @@ -21049,7 +17523,7 @@ } }, { - "pk": 337, + "pk": 279, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24950208307698, @@ -21064,7 +17538,7 @@ } }, { - "pk": 338, + "pk": 280, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24946825687376, @@ -21079,7 +17553,7 @@ } }, { - "pk": 339, + "pk": 281, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24658581351852, @@ -21094,7 +17568,7 @@ } }, { - "pk": 340, + "pk": 282, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25009334330243, @@ -21109,7 +17583,7 @@ } }, { - "pk": 341, + "pk": 283, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24878972437566, @@ -21124,7 +17598,7 @@ } }, { - "pk": 342, + "pk": 284, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25233945588213, @@ -21139,7 +17613,7 @@ } }, { - "pk": 343, + "pk": 285, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25163559772875, @@ -21154,7 +17628,7 @@ } }, { - "pk": 344, + "pk": 286, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25250648062049, @@ -21169,7 +17643,7 @@ } }, { - "pk": 345, + "pk": 287, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25079384366044, @@ -21184,7 +17658,7 @@ } }, { - "pk": 346, + "pk": 288, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25204940253665, @@ -21199,7 +17673,7 @@ } }, { - "pk": 347, + "pk": 289, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24828091418954, @@ -21214,7 +17688,7 @@ } }, { - "pk": 348, + "pk": 290, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24593068253308, @@ -21229,7 +17703,7 @@ } }, { - "pk": 349, + "pk": 291, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25553780502237, @@ -21244,7 +17718,7 @@ } }, { - "pk": 350, + "pk": 292, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24529069838655, @@ -21259,7 +17733,7 @@ } }, { - "pk": 351, + "pk": 293, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24939365966942, @@ -21274,7 +17748,7 @@ } }, { - "pk": 352, + "pk": 294, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24489930176507, @@ -21289,7 +17763,7 @@ } }, { - "pk": 353, + "pk": 295, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25168148822128, @@ -21304,7 +17778,7 @@ } }, { - "pk": 354, + "pk": 296, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25192503234913, @@ -21319,7 +17793,7 @@ } }, { - "pk": 355, + "pk": 297, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.24906533369119, @@ -21334,7 +17808,7 @@ } }, { - "pk": 356, + "pk": 298, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25412055150586, @@ -21349,7 +17823,7 @@ } }, { - "pk": 357, + "pk": 299, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.2487097874684, @@ -21364,7 +17838,7 @@ } }, { - "pk": 358, + "pk": 300, "model": "pgd_core.sidechain_glu", "fields": { "CD_OE2": 1.25879825131296, @@ -21461,46 +17935,6 @@ { "pk": 5, "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35691909602312, - "CG_CD2_NE2": 107.304162661798, - "CB_CG": 1.4898714705409, - "CG_ND1_CE1": 108.570436343378, - "ND1_CE1": 1.32660408130054, - "CB_CG_CD2": 130.574544668205, - "CE1_NE2_CD2": 108.693825686899, - "CG_ND1": 1.38160413307003, - "CB_CG_ND1": 122.754807093064, - "NE2_CD2": 1.36956784539142, - "CA_CB_CG": 113.183447287172, - "ND1_CE1_NE2": 108.837489769033, - "CE1_NE2": 1.32792674601911, - "ND1_CG_CD2": 106.593325924232 - } -}, -{ - "pk": 6, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35506344076735, - "CG_CD2_NE2": 107.27929773836, - "CB_CG": 1.50477785743433, - "CG_ND1_CE1": 109.512556137337, - "ND1_CE1": 1.32370225316378, - "CB_CG_CD2": 131.066174017241, - "CE1_NE2_CD2": 108.825331819435, - "CG_ND1": 1.37380046756246, - "CB_CG_ND1": 122.821926193602, - "NE2_CD2": 1.37435124206042, - "CA_CB_CG": 114.837350500448, - "ND1_CE1_NE2": 108.325459442683, - "CE1_NE2": 1.31997419762983, - "ND1_CG_CD2": 106.052623760677 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.36340513426254, "CG_CD2_NE2": 107.317030352147, @@ -21519,7 +17953,7 @@ } }, { - "pk": 8, + "pk": 6, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.3519042298521, @@ -21539,7 +17973,7 @@ } }, { - "pk": 9, + "pk": 7, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35715860156244, @@ -21559,7 +17993,7 @@ } }, { - "pk": 10, + "pk": 8, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35388690515768, @@ -21578,6 +18012,46 @@ "ND1_CG_CD2": 106.1929586458 } }, +{ + "pk": 9, + "model": "pgd_core.sidechain_his", + "fields": { + "CG_CD2": 1.35691909602312, + "CG_CD2_NE2": 107.304162661798, + "CB_CG": 1.4898714705409, + "CG_ND1_CE1": 108.570436343378, + "ND1_CE1": 1.32660408130054, + "CB_CG_CD2": 130.574544668205, + "CE1_NE2_CD2": 108.693825686899, + "CG_ND1": 1.38160413307003, + "CB_CG_ND1": 122.754807093064, + "NE2_CD2": 1.36956784539142, + "CA_CB_CG": 113.183447287172, + "ND1_CE1_NE2": 108.837489769033, + "CE1_NE2": 1.32792674601911, + "ND1_CG_CD2": 106.593325924232 + } +}, +{ + "pk": 10, + "model": "pgd_core.sidechain_his", + "fields": { + "CG_CD2": 1.35506344076735, + "CG_CD2_NE2": 107.27929773836, + "CB_CG": 1.50477785743433, + "CG_ND1_CE1": 109.512556137337, + "ND1_CE1": 1.32370225316378, + "CB_CG_CD2": 131.066174017241, + "CE1_NE2_CD2": 108.825331819435, + "CG_ND1": 1.37380046756246, + "CB_CG_ND1": 122.821926193602, + "NE2_CD2": 1.37435124206042, + "CA_CB_CG": 114.837350500448, + "ND1_CE1_NE2": 108.325459442683, + "CE1_NE2": 1.31997419762983, + "ND1_CG_CD2": 106.052623760677 + } +}, { "pk": 11, "model": "pgd_core.sidechain_his", @@ -21862,145 +18336,165 @@ "pk": 25, "model": "pgd_core.sidechain_his", "fields": { - "CG_CD2": 1.35370869154427, - "CG_CD2_NE2": 106.949342818054, - "CB_CG": 1.48513112819771, - "CG_ND1_CE1": 109.14344027846, - "ND1_CE1": 1.31964797768513, - "CB_CG_CD2": 130.867720553612, - "CE1_NE2_CD2": 109.141815028963, - "CG_ND1": 1.37885608101975, - "CB_CG_ND1": 122.671525156449, - "NE2_CD2": 1.37028176636042, - "CA_CB_CG": 112.450298876531, - "ND1_CE1_NE2": 108.354738582088, - "CE1_NE2": 1.32271481513553, - "ND1_CG_CD2": 106.395799101241 + "CG_CD2": 1.35566881019792, + "CG_CD2_NE2": 107.087304747656, + "CB_CG": 1.49155190282639, + "CG_ND1_CE1": 108.836152095342, + "ND1_CE1": 1.32474835622228, + "CB_CG_CD2": 130.763710573946, + "CE1_NE2_CD2": 109.070014541594, + "CG_ND1": 1.38442470663623, + "CB_CG_ND1": 122.679014254884, + "NE2_CD2": 1.37057426952827, + "CA_CB_CG": 113.639876667332, + "ND1_CE1_NE2": 108.398263504803, + "CE1_NE2": 1.32937451339595, + "ND1_CG_CD2": 106.530802512547 } }, { "pk": 26, "model": "pgd_core.sidechain_his", "fields": { - "CG_CD2": 1.36054192616723, - "CG_CD2_NE2": 107.272072309845, - "CB_CG": 1.49927102231784, - "CG_ND1_CE1": 109.282511596339, - "ND1_CE1": 1.32592259173347, - "CB_CG_CD2": 130.742919255862, - "CE1_NE2_CD2": 108.851496690966, - "CG_ND1": 1.37321879820382, - "CB_CG_ND1": 123.122039112809, - "NE2_CD2": 1.36963023786201, - "CA_CB_CG": 113.90124162975, - "ND1_CE1_NE2": 108.457923766083, - "CE1_NE2": 1.32254010312521, - "ND1_CG_CD2": 106.134862497984 + "CG_CD2": 1.35547702290647, + "CG_CD2_NE2": 107.131037681884, + "CB_CG": 1.49755521544544, + "CG_ND1_CE1": 109.596129867673, + "ND1_CE1": 1.32682705280197, + "CB_CG_CD2": 131.668061728131, + "CE1_NE2_CD2": 108.774870564618, + "CG_ND1": 1.37277934906546, + "CB_CG_ND1": 122.154252402287, + "NE2_CD2": 1.38154067543428, + "CA_CB_CG": 112.770597425438, + "ND1_CE1_NE2": 108.303028938569, + "CE1_NE2": 1.3195710144774, + "ND1_CG_CD2": 106.176705263592 } }, { "pk": 27, "model": "pgd_core.sidechain_his", "fields": { - "CG_CD2": 1.3560876428929, - "CG_CD2_NE2": 107.360477010104, - "CB_CG": 1.496785100484, - "CG_ND1_CE1": 109.248456032781, - "ND1_CE1": 1.32202370633028, - "CB_CG_CD2": 130.614757400228, - "CE1_NE2_CD2": 108.802258025324, - "CG_ND1": 1.37954621674997, - "CB_CG_ND1": 123.369834201338, - "NE2_CD2": 1.37163137276425, - "CA_CB_CG": 114.47662925823, - "ND1_CE1_NE2": 108.545992001229, - "CE1_NE2": 1.32135342084978, - "ND1_CG_CD2": 106.001403631727 + "CG_CD2": 1.35252781201137, + "CG_CD2_NE2": 107.105323477783, + "CB_CG": 1.48859839243182, + "CG_ND1_CE1": 109.211597753029, + "ND1_CE1": 1.32371424665765, + "CB_CG_CD2": 130.940553333353, + "CE1_NE2_CD2": 109.016746398113, + "CG_ND1": 1.37721345180991, + "CB_CG_ND1": 122.72744699145, + "NE2_CD2": 1.37329084721273, + "CA_CB_CG": 113.930547412672, + "ND1_CE1_NE2": 108.323697658779, + "CE1_NE2": 1.32061391112839, + "ND1_CG_CD2": 106.328688113597 } }, { "pk": 28, "model": "pgd_core.sidechain_his", "fields": { - "CG_CD2": 1.35647911266824, - "CG_CD2_NE2": 107.664596528123, - "CB_CG": 1.51165397215982, - "CG_ND1_CE1": 109.149431467812, - "ND1_CE1": 1.32637495293758, - "CB_CG_CD2": 130.321293357147, - "CE1_NE2_CD2": 108.55440443627, - "CG_ND1": 1.37969154592916, - "CB_CG_ND1": 123.632158526339, - "NE2_CD2": 1.37208438547066, - "CA_CB_CG": 115.572391650358, - "ND1_CE1_NE2": 108.667572013934, - "CE1_NE2": 1.32226429618851, - "ND1_CG_CD2": 105.915484197501 + "CG_CD2": 1.35583399843016, + "CG_CD2_NE2": 107.131068880841, + "CB_CG": 1.49462642384337, + "CG_ND1_CE1": 109.591265211202, + "ND1_CE1": 1.32340515653799, + "CB_CG_CD2": 131.257414104684, + "CE1_NE2_CD2": 109.005904960085, + "CG_ND1": 1.37861116384931, + "CB_CG_ND1": 122.698284339476, + "NE2_CD2": 1.37797796967641, + "CA_CB_CG": 113.642353892204, + "ND1_CE1_NE2": 108.240723408902, + "CE1_NE2": 1.32056790026736, + "ND1_CG_CD2": 106.013912526373 } }, { "pk": 29, "model": "pgd_core.sidechain_his", "fields": { - "CG_CD2": 1.36026234927099, - "CG_CD2_NE2": 107.185325763902, - "CB_CG": 1.49166433060328, - "CG_ND1_CE1": 109.220095675168, - "ND1_CE1": 1.32563315192647, - "CB_CG_CD2": 131.597095229851, - "CE1_NE2_CD2": 108.67050969743, - "CG_ND1": 1.3736406146283, - "CB_CG_ND1": 122.109893552288, - "NE2_CD2": 1.37486755068327, - "CA_CB_CG": 114.324969725205, - "ND1_CE1_NE2": 108.6518684324, - "CE1_NE2": 1.32268397630495, - "ND1_CG_CD2": 106.270702077569 + "CG_CD2": 1.35783283165541, + "CG_CD2_NE2": 106.957303242616, + "CB_CG": 1.48699743965161, + "CG_ND1_CE1": 109.415298733039, + "ND1_CE1": 1.31961516144603, + "CB_CG_CD2": 130.965200261058, + "CE1_NE2_CD2": 108.937234837823, + "CG_ND1": 1.37708531723116, + "CB_CG_ND1": 122.54057881265, + "NE2_CD2": 1.3737055612114, + "CA_CB_CG": 111.99068772752, + "ND1_CE1_NE2": 108.350882130622, + "CE1_NE2": 1.32584157825332, + "ND1_CG_CD2": 106.254363278008 } }, { "pk": 30, "model": "pgd_core.sidechain_his", "fields": { - "CG_CD2": 1.35642671255931, - "CG_CD2_NE2": 106.799072878997, - "CB_CG": 1.48539381279658, - "CG_ND1_CE1": 109.405182873295, - "ND1_CE1": 1.31896513863776, - "CB_CG_CD2": 131.491713540732, - "CE1_NE2_CD2": 109.048528399025, - "CG_ND1": 1.37197462346221, - "CB_CG_ND1": 122.004974006165, - "NE2_CD2": 1.37298148198156, - "CA_CB_CG": 111.967883035133, - "ND1_CE1_NE2": 108.361661391997, - "CE1_NE2": 1.32002052214318, - "ND1_CG_CD2": 106.356644447376 + "CG_CD2": 1.35648418031766, + "CG_CD2_NE2": 107.174761735149, + "CB_CG": 1.49861420245621, + "CG_ND1_CE1": 109.51246861629, + "ND1_CE1": 1.3235361750106, + "CB_CG_CD2": 131.636310513867, + "CE1_NE2_CD2": 108.957606678103, + "CG_ND1": 1.37571527217275, + "CB_CG_ND1": 122.310079818642, + "NE2_CD2": 1.37496639562443, + "CA_CB_CG": 114.159580040112, + "ND1_CE1_NE2": 108.316244431395, + "CE1_NE2": 1.31940509759915, + "ND1_CG_CD2": 106.028709249097 } }, { "pk": 31, "model": "pgd_core.sidechain_his", "fields": { - "CG_CD2": 1.35842348057069, - "CG_CD2_NE2": 107.267045727017, - "CB_CG": 1.50959185166615, - "CG_ND1_CE1": 109.660832602752, - "ND1_CE1": 1.32448494249684, - "CB_CG_CD2": 131.363963557335, - "CE1_NE2_CD2": 108.925519127197, - "CG_ND1": 1.38337767396423, - "CB_CG_ND1": 122.667942702575, - "NE2_CD2": 1.37959738447781, - "CA_CB_CG": 113.926234181986, - "ND1_CE1_NE2": 108.193388453329, - "CE1_NE2": 1.32729845147844, - "ND1_CG_CD2": 105.933553499492 + "CG_CD2": 1.35352030161705, + "CG_CD2_NE2": 107.069985114628, + "CB_CG": 1.49033336644987, + "CG_ND1_CE1": 109.337069650656, + "ND1_CE1": 1.32107169706553, + "CB_CG_CD2": 130.977665117556, + "CE1_NE2_CD2": 109.020395321928, + "CG_ND1": 1.37404040820132, + "CB_CG_ND1": 122.708328595766, + "NE2_CD2": 1.37058340240026, + "CA_CB_CG": 113.499760414938, + "ND1_CE1_NE2": 108.278861097096, + "CE1_NE2": 1.32106307564, + "ND1_CG_CD2": 106.288368381779 } }, { "pk": 32, "model": "pgd_core.sidechain_his", + "fields": { + "CG_CD2": 1.35723732044943, + "CG_CD2_NE2": 107.075182353813, + "CB_CG": 1.49124959602729, + "CG_ND1_CE1": 109.295048200521, + "ND1_CE1": 1.32174577578805, + "CB_CG_CD2": 131.17820970854, + "CE1_NE2_CD2": 108.881798577562, + "CG_ND1": 1.37600340511495, + "CB_CG_ND1": 122.539181437596, + "NE2_CD2": 1.37319635894481, + "CA_CB_CG": 114.068452989879, + "ND1_CE1_NE2": 108.453153703845, + "CE1_NE2": 1.32362457104217, + "ND1_CG_CD2": 106.282512864824 + } +}, +{ + "pk": 33, + "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35430880097822, "CG_CD2_NE2": 107.218339572214, @@ -22019,7 +18513,7 @@ } }, { - "pk": 33, + "pk": 34, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35429251511587, @@ -22038,26 +18532,6 @@ "ND1_CG_CD2": 106.157307245825 } }, -{ - "pk": 34, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35705705009899, - "CG_CD2_NE2": 107.165306693444, - "CB_CG": 1.50096872324354, - "CG_ND1_CE1": 109.433716964205, - "ND1_CE1": 1.32120462036219, - "CB_CG_CD2": 130.970625901958, - "CE1_NE2_CD2": 108.875949045023, - "CG_ND1": 1.37743269266279, - "CB_CG_ND1": 122.91240926866, - "NE2_CD2": 1.37407878293197, - "CA_CB_CG": 114.357789972746, - "ND1_CE1_NE2": 108.408808138322, - "CE1_NE2": 1.3232339336953, - "ND1_CG_CD2": 106.113802486026 - } -}, { "pk": 35, "model": "pgd_core.sidechain_his", @@ -22081,26 +18555,6 @@ { "pk": 36, "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35641604534516, - "CG_CD2_NE2": 107.025424321139, - "CB_CG": 1.49522508780392, - "CG_ND1_CE1": 109.231690574698, - "ND1_CE1": 1.32123266796744, - "CB_CG_CD2": 131.114989857894, - "CE1_NE2_CD2": 108.901743437184, - "CG_ND1": 1.3756458344996, - "CB_CG_ND1": 122.530060755245, - "NE2_CD2": 1.3728090099066, - "CA_CB_CG": 113.399487604317, - "ND1_CE1_NE2": 108.489103911886, - "CE1_NE2": 1.32277489043102, - "ND1_CG_CD2": 106.350519038252 - } -}, -{ - "pk": 37, - "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35334025188454, "CG_CD2_NE2": 107.164973127918, @@ -22119,7 +18573,7 @@ } }, { - "pk": 38, + "pk": 37, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35389477763961, @@ -22139,67 +18593,7 @@ } }, { - "pk": 39, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35567761340883, - "CG_CD2_NE2": 107.167331177068, - "CB_CG": 1.50131466819297, - "CG_ND1_CE1": 109.694093561928, - "ND1_CE1": 1.32089480052421, - "CB_CG_CD2": 131.469846947682, - "CE1_NE2_CD2": 109.026436431538, - "CG_ND1": 1.38115367907093, - "CB_CG_ND1": 122.602331966232, - "NE2_CD2": 1.37761742627744, - "CA_CB_CG": 114.396189620288, - "ND1_CE1_NE2": 108.177910880045, - "CE1_NE2": 1.32296930844274, - "ND1_CG_CD2": 105.926741753248 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35432785519679, - "CG_CD2_NE2": 106.680836316839, - "CB_CG": 1.47858115909323, - "CG_ND1_CE1": 109.39601906729, - "ND1_CE1": 1.31903237301554, - "CB_CG_CD2": 132.111597455188, - "CE1_NE2_CD2": 109.166176723327, - "CG_ND1": 1.37333445426534, - "CB_CG_ND1": 121.095107881013, - "NE2_CD2": 1.37504837415528, - "CA_CB_CG": 111.081525505454, - "ND1_CE1_NE2": 108.166850972017, - "CE1_NE2": 1.31865013520566, - "ND1_CG_CD2": 106.2797368922 - } -}, -{ - "pk": 41, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35190852452415, - "CG_CD2_NE2": 107.126126433593, - "CB_CG": 1.4935010459606, - "CG_ND1_CE1": 109.66818439376, - "ND1_CE1": 1.31954968163153, - "CB_CG_CD2": 131.408862757395, - "CE1_NE2_CD2": 108.946699089155, - "CG_ND1": 1.37595667736829, - "CB_CG_ND1": 122.509356839909, - "NE2_CD2": 1.37642488677664, - "CA_CB_CG": 113.706864612219, - "ND1_CE1_NE2": 108.176105030635, - "CE1_NE2": 1.32071486319678, - "ND1_CG_CD2": 106.081518613687 - } -}, -{ - "pk": 42, + "pk": 38, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.3537126171376, @@ -22219,7 +18613,7 @@ } }, { - "pk": 43, + "pk": 39, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35417666476475, @@ -22239,7 +18633,7 @@ } }, { - "pk": 44, + "pk": 40, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35484500845425, @@ -22259,7 +18653,7 @@ } }, { - "pk": 45, + "pk": 41, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35484682731219, @@ -22279,7 +18673,7 @@ } }, { - "pk": 46, + "pk": 42, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35299374192007, @@ -22299,7 +18693,7 @@ } }, { - "pk": 47, + "pk": 43, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35268768621941, @@ -22319,47 +18713,7 @@ } }, { - "pk": 48, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35463843638745, - "CG_CD2_NE2": 107.083322657522, - "CB_CG": 1.49282180657433, - "CG_ND1_CE1": 109.115882821795, - "ND1_CE1": 1.32126069768239, - "CB_CG_CD2": 130.648317056622, - "CE1_NE2_CD2": 109.046888896744, - "CG_ND1": 1.38196059362322, - "CB_CG_ND1": 122.962740645264, - "NE2_CD2": 1.37223678723624, - "CA_CB_CG": 112.557025321716, - "ND1_CE1_NE2": 108.438298420264, - "CE1_NE2": 1.32374099999935, - "ND1_CG_CD2": 106.302183509498 - } -}, -{ - "pk": 49, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35574929604281, - "CG_CD2_NE2": 107.181293745522, - "CB_CG": 1.49849654594206, - "CG_ND1_CE1": 109.306978878428, - "ND1_CE1": 1.32265851940194, - "CB_CG_CD2": 131.086389386303, - "CE1_NE2_CD2": 108.931584897668, - "CG_ND1": 1.37889018984361, - "CB_CG_ND1": 122.716665168057, - "NE2_CD2": 1.37344218933891, - "CA_CB_CG": 113.510294506726, - "ND1_CE1_NE2": 108.383205130975, - "CE1_NE2": 1.32366020546706, - "ND1_CG_CD2": 106.195723400731 - } -}, -{ - "pk": 50, + "pk": 44, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35512112581744, @@ -22379,27 +18733,7 @@ } }, { - "pk": 51, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35138734829691, - "CG_CD2_NE2": 107.366199484194, - "CB_CG": 1.49701782572918, - "CG_ND1_CE1": 109.314460358516, - "ND1_CE1": 1.32447353942305, - "CB_CG_CD2": 131.121781571189, - "CE1_NE2_CD2": 108.692023047112, - "CG_ND1": 1.37634517698279, - "CB_CG_ND1": 122.492063125543, - "NE2_CD2": 1.37634023283673, - "CA_CB_CG": 112.715663133668, - "ND1_CE1_NE2": 108.436618425947, - "CE1_NE2": 1.32036531362006, - "ND1_CG_CD2": 106.162816651335 - } -}, -{ - "pk": 52, + "pk": 45, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35008761776116, @@ -22419,7 +18753,7 @@ } }, { - "pk": 53, + "pk": 46, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35447796759747, @@ -22439,27 +18773,7 @@ } }, { - "pk": 54, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35563403601059, - "CG_CD2_NE2": 107.253155245079, - "CB_CG": 1.49655380241483, - "CG_ND1_CE1": 109.237972722644, - "ND1_CE1": 1.32587252819509, - "CB_CG_CD2": 131.344601288925, - "CE1_NE2_CD2": 108.678968295821, - "CG_ND1": 1.37628221485531, - "CB_CG_ND1": 122.390654144967, - "NE2_CD2": 1.37747630904038, - "CA_CB_CG": 113.944276357105, - "ND1_CE1_NE2": 108.567407128811, - "CE1_NE2": 1.32155367774135, - "ND1_CG_CD2": 106.253903181889 - } -}, -{ - "pk": 55, + "pk": 47, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35724075026316, @@ -22479,7 +18793,7 @@ } }, { - "pk": 56, + "pk": 48, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.3559278435104, @@ -22499,67 +18813,7 @@ } }, { - "pk": 57, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35728643501545, - "CG_CD2_NE2": 107.104252336632, - "CB_CG": 1.49037462046007, - "CG_ND1_CE1": 109.090337721242, - "ND1_CE1": 1.3230574155941, - "CB_CG_CD2": 131.230782859443, - "CE1_NE2_CD2": 108.85111352458, - "CG_ND1": 1.37729166591878, - "CB_CG_ND1": 122.447308842558, - "NE2_CD2": 1.37296354769157, - "CA_CB_CG": 113.702263443266, - "ND1_CE1_NE2": 108.622318933529, - "CE1_NE2": 1.32182926316807, - "ND1_CG_CD2": 106.320173055218 - } -}, -{ - "pk": 58, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35420702828681, - "CG_CD2_NE2": 107.204578314144, - "CB_CG": 1.49593378798838, - "CG_ND1_CE1": 109.260508294208, - "ND1_CE1": 1.32033798360015, - "CB_CG_CD2": 131.082811018842, - "CE1_NE2_CD2": 108.925281888549, - "CG_ND1": 1.38036800177568, - "CB_CG_ND1": 122.762430687542, - "NE2_CD2": 1.37265920742359, - "CA_CB_CG": 114.231636277519, - "ND1_CE1_NE2": 108.454379436289, - "CE1_NE2": 1.32234519796635, - "ND1_CG_CD2": 106.144935764416 - } -}, -{ - "pk": 59, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35635259455433, - "CG_CD2_NE2": 107.164808550862, - "CB_CG": 1.49710733647679, - "CG_ND1_CE1": 109.317285664149, - "ND1_CE1": 1.32156892697493, - "CB_CG_CD2": 131.040409439913, - "CE1_NE2_CD2": 108.838079326343, - "CG_ND1": 1.38026434619331, - "CB_CG_ND1": 122.793946495128, - "NE2_CD2": 1.37622393254684, - "CA_CB_CG": 113.633659884684, - "ND1_CE1_NE2": 108.519444733194, - "CE1_NE2": 1.32321026419372, - "ND1_CG_CD2": 106.16032976718 - } -}, -{ - "pk": 60, + "pk": 49, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35362919108599, @@ -22579,27 +18833,7 @@ } }, { - "pk": 61, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35433922897446, - "CG_CD2_NE2": 107.242135538678, - "CB_CG": 1.48692666193767, - "CG_ND1_CE1": 109.000819500548, - "ND1_CE1": 1.32168591893253, - "CB_CG_CD2": 130.721585673298, - "CE1_NE2_CD2": 109.006942020352, - "CG_ND1": 1.3795222114395, - "CB_CG_ND1": 122.966389842941, - "NE2_CD2": 1.36612200074094, - "CA_CB_CG": 113.880304320117, - "ND1_CE1_NE2": 108.43587596619, - "CE1_NE2": 1.32463069608829, - "ND1_CG_CD2": 106.310141405916 - } -}, -{ - "pk": 62, + "pk": 50, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35359625456769, @@ -22619,7 +18853,7 @@ } }, { - "pk": 63, + "pk": 51, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35440875347383, @@ -22639,47 +18873,7 @@ } }, { - "pk": 64, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35594640858947, - "CG_CD2_NE2": 107.035391202071, - "CB_CG": 1.49035514054464, - "CG_ND1_CE1": 109.012841170673, - "ND1_CE1": 1.32223012808401, - "CB_CG_CD2": 131.237782555361, - "CE1_NE2_CD2": 109.023589397581, - "CG_ND1": 1.38089853238861, - "CB_CG_ND1": 122.367985115707, - "NE2_CD2": 1.37198200047284, - "CA_CB_CG": 113.400910903762, - "ND1_CE1_NE2": 108.533899165965, - "CE1_NE2": 1.3235154977269, - "ND1_CG_CD2": 106.3941921672 - } -}, -{ - "pk": 65, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.36126083665761, - "CG_CD2_NE2": 107.301288803943, - "CB_CG": 1.50360857829294, - "CG_ND1_CE1": 109.430675577923, - "ND1_CE1": 1.32380736692149, - "CB_CG_CD2": 130.607400152567, - "CE1_NE2_CD2": 108.673572868177, - "CG_ND1": 1.37673157567565, - "CB_CG_ND1": 123.270455195997, - "NE2_CD2": 1.37681367937051, - "CA_CB_CG": 115.743243220326, - "ND1_CE1_NE2": 108.692914051468, - "CE1_NE2": 1.31915611123727, - "ND1_CG_CD2": 105.872771084629 - } -}, -{ - "pk": 66, + "pk": 52, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35468383721191, @@ -22699,67 +18893,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35566881019792, - "CG_CD2_NE2": 107.087304747656, - "CB_CG": 1.49155190282639, - "CG_ND1_CE1": 108.836152095342, - "ND1_CE1": 1.32474835622228, - "CB_CG_CD2": 130.763710573946, - "CE1_NE2_CD2": 109.070014541594, - "CG_ND1": 1.38442470663623, - "CB_CG_ND1": 122.679014254884, - "NE2_CD2": 1.37057426952827, - "CA_CB_CG": 113.639876667332, - "ND1_CE1_NE2": 108.398263504803, - "CE1_NE2": 1.32937451339595, - "ND1_CG_CD2": 106.530802512547 - } -}, -{ - "pk": 68, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35547702290647, - "CG_CD2_NE2": 107.131037681884, - "CB_CG": 1.49755521544544, - "CG_ND1_CE1": 109.596129867673, - "ND1_CE1": 1.32682705280197, - "CB_CG_CD2": 131.668061728131, - "CE1_NE2_CD2": 108.774870564618, - "CG_ND1": 1.37277934906546, - "CB_CG_ND1": 122.154252402287, - "NE2_CD2": 1.38154067543428, - "CA_CB_CG": 112.770597425438, - "ND1_CE1_NE2": 108.303028938569, - "CE1_NE2": 1.3195710144774, - "ND1_CG_CD2": 106.176705263592 - } -}, -{ - "pk": 69, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35252781201137, - "CG_CD2_NE2": 107.105323477783, - "CB_CG": 1.48859839243182, - "CG_ND1_CE1": 109.211597753029, - "ND1_CE1": 1.32371424665765, - "CB_CG_CD2": 130.940553333353, - "CE1_NE2_CD2": 109.016746398113, - "CG_ND1": 1.37721345180991, - "CB_CG_ND1": 122.72744699145, - "NE2_CD2": 1.37329084721273, - "CA_CB_CG": 113.930547412672, - "ND1_CE1_NE2": 108.323697658779, - "CE1_NE2": 1.32061391112839, - "ND1_CG_CD2": 106.328688113597 - } -}, -{ - "pk": 70, + "pk": 53, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35550512212996, @@ -22779,47 +18913,7 @@ } }, { - "pk": 71, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35583399843016, - "CG_CD2_NE2": 107.131068880841, - "CB_CG": 1.49462642384337, - "CG_ND1_CE1": 109.591265211202, - "ND1_CE1": 1.32340515653799, - "CB_CG_CD2": 131.257414104684, - "CE1_NE2_CD2": 109.005904960085, - "CG_ND1": 1.37861116384931, - "CB_CG_ND1": 122.698284339476, - "NE2_CD2": 1.37797796967641, - "CA_CB_CG": 113.642353892204, - "ND1_CE1_NE2": 108.240723408902, - "CE1_NE2": 1.32056790026736, - "ND1_CG_CD2": 106.013912526373 - } -}, -{ - "pk": 72, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35783283165541, - "CG_CD2_NE2": 106.957303242616, - "CB_CG": 1.48699743965161, - "CG_ND1_CE1": 109.415298733039, - "ND1_CE1": 1.31961516144603, - "CB_CG_CD2": 130.965200261058, - "CE1_NE2_CD2": 108.937234837823, - "CG_ND1": 1.37708531723116, - "CB_CG_ND1": 122.54057881265, - "NE2_CD2": 1.3737055612114, - "CA_CB_CG": 111.99068772752, - "ND1_CE1_NE2": 108.350882130622, - "CE1_NE2": 1.32584157825332, - "ND1_CG_CD2": 106.254363278008 - } -}, -{ - "pk": 73, + "pk": 54, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35354577679292, @@ -22839,27 +18933,7 @@ } }, { - "pk": 74, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35648418031766, - "CG_CD2_NE2": 107.174761735149, - "CB_CG": 1.49861420245621, - "CG_ND1_CE1": 109.51246861629, - "ND1_CE1": 1.3235361750106, - "CB_CG_CD2": 131.636310513867, - "CE1_NE2_CD2": 108.957606678103, - "CG_ND1": 1.37571527217275, - "CB_CG_ND1": 122.310079818642, - "NE2_CD2": 1.37496639562443, - "CA_CB_CG": 114.159580040112, - "ND1_CE1_NE2": 108.316244431395, - "CE1_NE2": 1.31940509759915, - "ND1_CG_CD2": 106.028709249097 - } -}, -{ - "pk": 75, + "pk": 55, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35327775751007, @@ -22879,7 +18953,7 @@ } }, { - "pk": 76, + "pk": 56, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35230849012261, @@ -22899,47 +18973,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35352030161705, - "CG_CD2_NE2": 107.069985114628, - "CB_CG": 1.49033336644987, - "CG_ND1_CE1": 109.337069650656, - "ND1_CE1": 1.32107169706553, - "CB_CG_CD2": 130.977665117556, - "CE1_NE2_CD2": 109.020395321928, - "CG_ND1": 1.37404040820132, - "CB_CG_ND1": 122.708328595766, - "NE2_CD2": 1.37058340240026, - "CA_CB_CG": 113.499760414938, - "ND1_CE1_NE2": 108.278861097096, - "CE1_NE2": 1.32106307564, - "ND1_CG_CD2": 106.288368381779 - } -}, -{ - "pk": 78, - "model": "pgd_core.sidechain_his", - "fields": { - "CG_CD2": 1.35723732044943, - "CG_CD2_NE2": 107.075182353813, - "CB_CG": 1.49124959602729, - "CG_ND1_CE1": 109.295048200521, - "ND1_CE1": 1.32174577578805, - "CB_CG_CD2": 131.17820970854, - "CE1_NE2_CD2": 108.881798577562, - "CG_ND1": 1.37600340511495, - "CB_CG_ND1": 122.539181437596, - "NE2_CD2": 1.37319635894481, - "CA_CB_CG": 114.068452989879, - "ND1_CE1_NE2": 108.453153703845, - "CE1_NE2": 1.32362457104217, - "ND1_CG_CD2": 106.282512864824 - } -}, -{ - "pk": 79, + "pk": 57, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35457058524129, @@ -22959,7 +18993,7 @@ } }, { - "pk": 80, + "pk": 58, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35460784005234, @@ -22979,7 +19013,7 @@ } }, { - "pk": 81, + "pk": 59, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35222875075526, @@ -22999,7 +19033,7 @@ } }, { - "pk": 82, + "pk": 60, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35326061559697, @@ -23019,7 +19053,7 @@ } }, { - "pk": 83, + "pk": 61, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35209345212627, @@ -23039,7 +19073,7 @@ } }, { - "pk": 84, + "pk": 62, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35281697504505, @@ -23059,7 +19093,7 @@ } }, { - "pk": 85, + "pk": 63, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35339699423758, @@ -23079,7 +19113,7 @@ } }, { - "pk": 86, + "pk": 64, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35486605677763, @@ -23099,7 +19133,7 @@ } }, { - "pk": 87, + "pk": 65, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35369060564249, @@ -23119,7 +19153,7 @@ } }, { - "pk": 88, + "pk": 66, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35393660077197, @@ -23139,7 +19173,7 @@ } }, { - "pk": 89, + "pk": 67, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35353725832308, @@ -23159,7 +19193,7 @@ } }, { - "pk": 90, + "pk": 68, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35555794929153, @@ -23179,7 +19213,7 @@ } }, { - "pk": 91, + "pk": 69, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35171253694461, @@ -23199,7 +19233,7 @@ } }, { - "pk": 92, + "pk": 70, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35368231450455, @@ -23219,7 +19253,7 @@ } }, { - "pk": 93, + "pk": 71, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35380109969552, @@ -23239,7 +19273,7 @@ } }, { - "pk": 94, + "pk": 72, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35244032731087, @@ -23259,7 +19293,7 @@ } }, { - "pk": 95, + "pk": 73, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35374235236675, @@ -23279,7 +19313,7 @@ } }, { - "pk": 96, + "pk": 74, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35388465273744, @@ -23299,7 +19333,7 @@ } }, { - "pk": 97, + "pk": 75, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35261784686218, @@ -23319,7 +19353,7 @@ } }, { - "pk": 98, + "pk": 76, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35419060670659, @@ -23339,7 +19373,7 @@ } }, { - "pk": 99, + "pk": 77, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35335487790284, @@ -23359,7 +19393,7 @@ } }, { - "pk": 100, + "pk": 78, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35467918433276, @@ -23379,7 +19413,7 @@ } }, { - "pk": 101, + "pk": 79, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.3545435651761, @@ -23399,7 +19433,7 @@ } }, { - "pk": 102, + "pk": 80, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35386827481599, @@ -23419,7 +19453,7 @@ } }, { - "pk": 103, + "pk": 81, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35379142456589, @@ -23439,7 +19473,7 @@ } }, { - "pk": 104, + "pk": 82, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.3535010621924, @@ -23459,7 +19493,7 @@ } }, { - "pk": 105, + "pk": 83, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.3530088663967, @@ -23479,7 +19513,7 @@ } }, { - "pk": 106, + "pk": 84, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35554394563651, @@ -23499,7 +19533,7 @@ } }, { - "pk": 107, + "pk": 85, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35534561537805, @@ -23519,7 +19553,7 @@ } }, { - "pk": 108, + "pk": 86, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35441487363518, @@ -23539,7 +19573,7 @@ } }, { - "pk": 109, + "pk": 87, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35293051439099, @@ -23559,7 +19593,7 @@ } }, { - "pk": 110, + "pk": 88, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.3546333727857, @@ -23579,7 +19613,7 @@ } }, { - "pk": 111, + "pk": 89, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35426999815721, @@ -23599,7 +19633,7 @@ } }, { - "pk": 112, + "pk": 90, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35519217380564, @@ -23619,7 +19653,7 @@ } }, { - "pk": 113, + "pk": 91, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35727165702283, @@ -23639,7 +19673,7 @@ } }, { - "pk": 114, + "pk": 92, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35659824023615, @@ -23659,7 +19693,7 @@ } }, { - "pk": 115, + "pk": 93, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.352383122118, @@ -23679,7 +19713,7 @@ } }, { - "pk": 116, + "pk": 94, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35754331031198, @@ -23699,7 +19733,7 @@ } }, { - "pk": 117, + "pk": 95, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35452055251547, @@ -23719,7 +19753,7 @@ } }, { - "pk": 118, + "pk": 96, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35348032147935, @@ -23739,7 +19773,7 @@ } }, { - "pk": 119, + "pk": 97, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35745081298779, @@ -23759,7 +19793,7 @@ } }, { - "pk": 120, + "pk": 98, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35412487249925, @@ -23779,7 +19813,7 @@ } }, { - "pk": 121, + "pk": 99, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35361741029672, @@ -23799,7 +19833,7 @@ } }, { - "pk": 122, + "pk": 100, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35521278930148, @@ -23819,7 +19853,7 @@ } }, { - "pk": 123, + "pk": 101, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35322437536868, @@ -23839,7 +19873,7 @@ } }, { - "pk": 124, + "pk": 102, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35348668708851, @@ -23859,7 +19893,7 @@ } }, { - "pk": 125, + "pk": 103, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35521073428308, @@ -23879,7 +19913,7 @@ } }, { - "pk": 126, + "pk": 104, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35402535662673, @@ -23899,7 +19933,7 @@ } }, { - "pk": 127, + "pk": 105, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35422032554768, @@ -23919,7 +19953,7 @@ } }, { - "pk": 128, + "pk": 106, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35156812451449, @@ -23939,7 +19973,7 @@ } }, { - "pk": 129, + "pk": 107, "model": "pgd_core.sidechain_his", "fields": { "CG_CD2": 1.35424385220139, @@ -23974,6 +20008,19 @@ { "pk": 2, "model": "pgd_core.sidechain_ile", + "fields": { + "CG1_CD1": 1.53373218812349, + "CA_CB_CG2": 110.767730144474, + "CA_CB_CG1": 110.682453052294, + "CB_CG2": 1.46872129499544, + "CB_CG1": 1.52790704713073, + "CG1_CB_CG2": 112.648176729557, + "CB_CG1_CD1": 109.325898512341 + } +}, +{ + "pk": 3, + "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49386361756172, "CA_CB_CG2": 110.15904868697, @@ -23984,61 +20031,22 @@ "CB_CG1_CD1": 116.646255629228 } }, -{ - "pk": 3, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.50060089588462, - "CA_CB_CG2": 109.495444969422, - "CA_CB_CG1": 112.02606226252, - "CB_CG2": 1.5357887405287, - "CB_CG1": 1.51646734320817, - "CG1_CB_CG2": 114.986907189988, - "CB_CG1_CD1": 114.08869237476 - } -}, { "pk": 4, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.50700329376951, - "CA_CB_CG2": 108.880806005066, - "CA_CB_CG1": 108.297010721519, - "CB_CG2": 1.53045890061736, - "CB_CG1": 1.53612459298505, - "CG1_CB_CG2": 111.969977000264, - "CB_CG1_CD1": 113.531028238555 + "CG1_CD1": 1.54205687755524, + "CA_CB_CG2": 111.724309239708, + "CA_CB_CG1": 111.339647193136, + "CB_CG2": 1.52457947139311, + "CB_CG1": 1.51934641591655, + "CG1_CB_CG2": 112.489465186352, + "CB_CG1_CD1": 112.488863989222 } }, { "pk": 5, "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.4999876397686, - "CA_CB_CG2": 116.210794933726, - "CA_CB_CG1": 108.119340388163, - "CB_CG2": 1.51282117615373, - "CB_CG1": 1.53575951816306, - "CG1_CB_CG2": 108.285932711691, - "CB_CG1_CD1": 109.435951291531 - } -}, -{ - "pk": 6, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.53373218812349, - "CA_CB_CG2": 110.767730144474, - "CA_CB_CG1": 110.682453052294, - "CB_CG2": 1.46872129499544, - "CB_CG1": 1.52790704713073, - "CG1_CB_CG2": 112.648176729557, - "CB_CG1_CD1": 109.325898512341 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.47311088328591, "CA_CB_CG2": 109.400100347188, @@ -24050,7 +20058,7 @@ } }, { - "pk": 8, + "pk": 6, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53263900869327, @@ -24063,7 +20071,7 @@ } }, { - "pk": 9, + "pk": 7, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.48718694523772, @@ -24075,9 +20083,48 @@ "CB_CG1_CD1": 115.86364754642 } }, +{ + "pk": 8, + "model": "pgd_core.sidechain_ile", + "fields": { + "CG1_CD1": 1.54038274757864, + "CA_CB_CG2": 110.588393456289, + "CA_CB_CG1": 111.172895441148, + "CB_CG2": 1.51909094765802, + "CB_CG1": 1.52838748840078, + "CG1_CB_CG2": 107.953801250346, + "CB_CG1_CD1": 113.532763684608 + } +}, +{ + "pk": 9, + "model": "pgd_core.sidechain_ile", + "fields": { + "CG1_CD1": 1.50060089588462, + "CA_CB_CG2": 109.495444969422, + "CA_CB_CG1": 112.02606226252, + "CB_CG2": 1.5357887405287, + "CB_CG1": 1.51646734320817, + "CG1_CB_CG2": 114.986907189988, + "CB_CG1_CD1": 114.08869237476 + } +}, { "pk": 10, "model": "pgd_core.sidechain_ile", + "fields": { + "CG1_CD1": 1.50700329376951, + "CA_CB_CG2": 108.880806005066, + "CA_CB_CG1": 108.297010721519, + "CB_CG2": 1.53045890061736, + "CB_CG1": 1.53612459298505, + "CG1_CB_CG2": 111.969977000264, + "CB_CG1_CD1": 113.531028238555 + } +}, +{ + "pk": 11, + "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49430253357486, "CA_CB_CG2": 110.683210898382, @@ -24089,7 +20136,7 @@ } }, { - "pk": 11, + "pk": 12, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49361767670109, @@ -24102,7 +20149,7 @@ } }, { - "pk": 12, + "pk": 13, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50252463566419, @@ -24115,7 +20162,20 @@ } }, { - "pk": 13, + "pk": 14, + "model": "pgd_core.sidechain_ile", + "fields": { + "CG1_CD1": 1.4999876397686, + "CA_CB_CG2": 116.210794933726, + "CA_CB_CG1": 108.119340388163, + "CB_CG2": 1.51282117615373, + "CB_CG1": 1.53575951816306, + "CG1_CB_CG2": 108.285932711691, + "CB_CG1_CD1": 109.435951291531 + } +}, +{ + "pk": 15, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.530736335175, @@ -24128,7 +20188,7 @@ } }, { - "pk": 14, + "pk": 16, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52079847805249, @@ -24141,7 +20201,7 @@ } }, { - "pk": 15, + "pk": 17, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51093483996419, @@ -24153,32 +20213,6 @@ "CB_CG1_CD1": 113.385937045699 } }, -{ - "pk": 16, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54205687755524, - "CA_CB_CG2": 111.724309239708, - "CA_CB_CG1": 111.339647193136, - "CB_CG2": 1.52457947139311, - "CB_CG1": 1.51934641591655, - "CG1_CB_CG2": 112.489465186352, - "CB_CG1_CD1": 112.488863989222 - } -}, -{ - "pk": 17, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54038274757864, - "CA_CB_CG2": 110.588393456289, - "CA_CB_CG1": 111.172895441148, - "CB_CG2": 1.51909094765802, - "CB_CG1": 1.52838748840078, - "CG1_CB_CG2": 107.953801250346, - "CB_CG1_CD1": 113.532763684608 - } -}, { "pk": 18, "model": "pgd_core.sidechain_ile", @@ -24313,187 +20347,135 @@ "pk": 28, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.46290174103004, - "CA_CB_CG2": 109.510370295726, - "CA_CB_CG1": 110.561319553397, - "CB_CG2": 1.50273506516947, - "CB_CG1": 1.51889287586487, - "CG1_CB_CG2": 106.834228618513, - "CB_CG1_CD1": 111.853000506532 + "CG1_CD1": 1.47564341841104, + "CA_CB_CG2": 110.560839274859, + "CA_CB_CG1": 109.595653805608, + "CB_CG2": 1.52877757978289, + "CB_CG1": 1.52673863948531, + "CG1_CB_CG2": 110.865964135887, + "CB_CG1_CD1": 113.765881574476 } }, { "pk": 29, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.52750157076798, - "CA_CB_CG2": 111.439350203972, - "CA_CB_CG1": 111.884237762753, - "CB_CG2": 1.52485000893872, - "CB_CG1": 1.50991077415192, - "CG1_CB_CG2": 111.555346211982, - "CB_CG1_CD1": 112.018669454686 + "CG1_CD1": 1.54724920546849, + "CA_CB_CG2": 110.893693974608, + "CA_CB_CG1": 111.076086441675, + "CB_CG2": 1.51594388079759, + "CB_CG1": 1.52016881204265, + "CG1_CB_CG2": 109.424827004663, + "CB_CG1_CD1": 113.872488412141 } }, { "pk": 30, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.59930285401945, - "CA_CB_CG2": 109.515672857729, - "CA_CB_CG1": 109.892821725968, - "CB_CG2": 1.50933970103981, - "CB_CG1": 1.53741022111614, - "CG1_CB_CG2": 111.37964677973, - "CB_CG1_CD1": 112.448959960686 + "CG1_CD1": 1.50228027395561, + "CA_CB_CG2": 111.327731521149, + "CA_CB_CG1": 108.276930431905, + "CB_CG2": 1.53516568175615, + "CB_CG1": 1.54047004261039, + "CG1_CB_CG2": 111.175308749658, + "CB_CG1_CD1": 112.704347866394 } }, { "pk": 31, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.55651057486705, - "CA_CB_CG2": 109.538229719723, - "CA_CB_CG1": 110.507301180593, - "CB_CG2": 1.53561561849173, - "CB_CG1": 1.53318113396605, - "CG1_CB_CG2": 109.434968564888, - "CB_CG1_CD1": 115.80509378485 + "CG1_CD1": 1.49086526805726, + "CA_CB_CG2": 110.533849326928, + "CA_CB_CG1": 110.179198971648, + "CB_CG2": 1.51778644346998, + "CB_CG1": 1.53579762091401, + "CG1_CB_CG2": 112.517284240889, + "CB_CG1_CD1": 114.411978303695 } }, { "pk": 32, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.4959752706235, - "CA_CB_CG2": 110.332189507058, - "CA_CB_CG1": 109.951970624267, - "CB_CG2": 1.53376342741714, - "CB_CG1": 1.54324541999678, - "CG1_CB_CG2": 112.865700721439, - "CB_CG1_CD1": 112.345191264852 + "CG1_CD1": 1.55142999150081, + "CA_CB_CG2": 111.198203344977, + "CA_CB_CG1": 109.623106848205, + "CB_CG2": 1.55370183486025, + "CB_CG1": 1.52446010452089, + "CG1_CB_CG2": 110.079604946701, + "CB_CG1_CD1": 113.736333522182 } }, { "pk": 33, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.51590258212414, - "CA_CB_CG2": 111.572661207739, - "CA_CB_CG1": 111.948820223829, - "CB_CG2": 1.52975599759351, - "CB_CG1": 1.53804006077353, - "CG1_CB_CG2": 108.776335158022, - "CB_CG1_CD1": 111.994134356524 + "CG1_CD1": 1.54560542465037, + "CA_CB_CG2": 111.895776365745, + "CA_CB_CG1": 110.109182905873, + "CB_CG2": 1.55246413125909, + "CB_CG1": 1.52635694714344, + "CG1_CB_CG2": 108.855451249398, + "CB_CG1_CD1": 113.520303617982 } }, { "pk": 34, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.5256802267973, - "CA_CB_CG2": 110.869097353921, - "CA_CB_CG1": 110.770123429899, - "CB_CG2": 1.53209707664787, - "CB_CG1": 1.53232732468915, - "CG1_CB_CG2": 110.010893508925, - "CB_CG1_CD1": 113.774470536001 + "CG1_CD1": 1.49462396984032, + "CA_CB_CG2": 110.81427043299, + "CA_CB_CG1": 110.951425388444, + "CB_CG2": 1.48862514060369, + "CB_CG1": 1.53539168514156, + "CG1_CB_CG2": 109.396601472372, + "CB_CG1_CD1": 113.847302259507 } }, { "pk": 35, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.4930624837916, - "CA_CB_CG2": 109.753721633631, - "CA_CB_CG1": 109.215738174914, - "CB_CG2": 1.50291839124528, - "CB_CG1": 1.54441694592159, - "CG1_CB_CG2": 112.639013201417, - "CB_CG1_CD1": 113.965846054429 + "CG1_CD1": 1.55162228182147, + "CA_CB_CG2": 111.132534058757, + "CA_CB_CG1": 113.07012173792, + "CB_CG2": 1.48771213630226, + "CB_CG1": 1.53223781653247, + "CG1_CB_CG2": 110.408190592825, + "CB_CG1_CD1": 110.443425777971 } }, { "pk": 36, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.57032826652426, - "CA_CB_CG2": 110.40722035129, - "CA_CB_CG1": 110.061314593435, - "CB_CG2": 1.539886860995, - "CB_CG1": 1.52997380280369, - "CG1_CB_CG2": 110.667188907342, - "CB_CG1_CD1": 114.035058152483 + "CG1_CD1": 1.49734275842162, + "CA_CB_CG2": 110.974560739367, + "CA_CB_CG1": 110.850757033099, + "CB_CG2": 1.53050641734109, + "CB_CG1": 1.52224401886315, + "CG1_CB_CG2": 109.689720321278, + "CB_CG1_CD1": 112.613949033061 } }, { "pk": 37, "model": "pgd_core.sidechain_ile", "fields": { - "CG1_CD1": 1.5348070653984, - "CA_CB_CG2": 111.513198305234, - "CA_CB_CG1": 109.523010440199, - "CB_CG2": 1.53185567448924, - "CB_CG1": 1.52720027479102, - "CG1_CB_CG2": 113.340949454088, - "CB_CG1_CD1": 115.618593384679 + "CG1_CD1": 1.55532549164143, + "CA_CB_CG2": 109.471137181878, + "CA_CB_CG1": 111.740417226748, + "CB_CG2": 1.55736063123243, + "CB_CG1": 1.53565597148535, + "CG1_CB_CG2": 111.015173806381, + "CB_CG1_CD1": 114.052821912924 } }, { "pk": 38, "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.50867222945278, - "CA_CB_CG2": 111.498768773061, - "CA_CB_CG1": 110.230382549839, - "CB_CG2": 1.53800847535909, - "CB_CG1": 1.54655317269689, - "CG1_CB_CG2": 108.02106187302, - "CB_CG1_CD1": 115.351661277006 - } -}, -{ - "pk": 39, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.52474094054576, - "CA_CB_CG2": 111.087202867491, - "CA_CB_CG1": 111.529465726894, - "CB_CG2": 1.54149884755295, - "CB_CG1": 1.53522653606707, - "CG1_CB_CG2": 112.919294696047, - "CB_CG1_CD1": 113.651189142835 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.51730192557781, - "CA_CB_CG2": 109.640846145258, - "CA_CB_CG1": 108.12320094861, - "CB_CG2": 1.53610956318873, - "CB_CG1": 1.50479837629274, - "CG1_CB_CG2": 105.253463983939, - "CB_CG1_CD1": 114.288975122673 - } -}, -{ - "pk": 41, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.51953996174625, - "CA_CB_CG2": 109.604517726845, - "CA_CB_CG1": 110.576677575971, - "CB_CG2": 1.51830878511088, - "CB_CG1": 1.53648262111016, - "CG1_CB_CG2": 108.989774812988, - "CB_CG1_CD1": 114.438201779292 - } -}, -{ - "pk": 42, - "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50728178923351, "CA_CB_CG2": 110.233530154394, @@ -24505,7 +20487,7 @@ } }, { - "pk": 43, + "pk": 39, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51753102516136, @@ -24518,20 +20500,7 @@ } }, { - "pk": 44, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.50811892869918, - "CA_CB_CG2": 110.099736568301, - "CA_CB_CG1": 110.973113410758, - "CB_CG2": 1.52385308209342, - "CB_CG1": 1.54014100215582, - "CG1_CB_CG2": 110.767714093026, - "CB_CG1_CD1": 114.135771026286 - } -}, -{ - "pk": 45, + "pk": 40, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52080759976256, @@ -24544,7 +20513,7 @@ } }, { - "pk": 46, + "pk": 41, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51435409486923, @@ -24557,7 +20526,7 @@ } }, { - "pk": 47, + "pk": 42, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5098035036296, @@ -24570,20 +20539,7 @@ } }, { - "pk": 48, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.48324563213972, - "CA_CB_CG2": 111.480280355653, - "CA_CB_CG1": 108.57480577514, - "CB_CG2": 1.52343076090099, - "CB_CG1": 1.53386367356447, - "CG1_CB_CG2": 110.458913901538, - "CB_CG1_CD1": 113.428676181397 - } -}, -{ - "pk": 49, + "pk": 43, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5045776620503, @@ -24596,7 +20552,7 @@ } }, { - "pk": 50, + "pk": 44, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51972281712155, @@ -24609,46 +20565,7 @@ } }, { - "pk": 51, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.45835279299779, - "CA_CB_CG2": 110.326059768048, - "CA_CB_CG1": 108.163976734168, - "CB_CG2": 1.54614950152593, - "CB_CG1": 1.5242760705949, - "CG1_CB_CG2": 112.39017102104, - "CB_CG1_CD1": 112.381540794668 - } -}, -{ - "pk": 52, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54093971684106, - "CA_CB_CG2": 111.263410572175, - "CA_CB_CG1": 110.898974818037, - "CB_CG2": 1.54413207767405, - "CB_CG1": 1.52883708444881, - "CG1_CB_CG2": 113.637318412092, - "CB_CG1_CD1": 111.663128391832 - } -}, -{ - "pk": 53, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.52943314094037, - "CA_CB_CG2": 110.866751387021, - "CA_CB_CG1": 109.980064708822, - "CB_CG2": 1.56125561162155, - "CB_CG1": 1.53341651954519, - "CG1_CB_CG2": 109.771443091302, - "CB_CG1_CD1": 112.147974831855 - } -}, -{ - "pk": 54, + "pk": 45, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50628304706662, @@ -24661,7 +20578,7 @@ } }, { - "pk": 55, + "pk": 46, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52004138220263, @@ -24674,59 +20591,7 @@ } }, { - "pk": 56, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54587272079645, - "CA_CB_CG2": 110.711104491621, - "CA_CB_CG1": 110.439364906958, - "CB_CG2": 1.55044438632108, - "CB_CG1": 1.5370990384719, - "CG1_CB_CG2": 112.099167886481, - "CB_CG1_CD1": 114.073780917381 - } -}, -{ - "pk": 57, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.57163895514515, - "CA_CB_CG2": 109.061388411242, - "CA_CB_CG1": 110.072721978475, - "CB_CG2": 1.49508834690611, - "CB_CG1": 1.5435472595543, - "CG1_CB_CG2": 110.792688975006, - "CB_CG1_CD1": 114.28762115147 - } -}, -{ - "pk": 58, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54675610922766, - "CA_CB_CG2": 111.687605244059, - "CA_CB_CG1": 109.157942267121, - "CB_CG2": 1.53927957080144, - "CB_CG1": 1.52972708647873, - "CG1_CB_CG2": 108.773150714604, - "CB_CG1_CD1": 114.129740686306 - } -}, -{ - "pk": 59, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.53873742939392, - "CA_CB_CG2": 110.442543110864, - "CA_CB_CG1": 110.37394959679, - "CB_CG2": 1.55259605548933, - "CB_CG1": 1.53658344015972, - "CG1_CB_CG2": 110.870620575594, - "CB_CG1_CD1": 114.824719118323 - } -}, -{ - "pk": 60, + "pk": 47, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50354904583111, @@ -24739,20 +20604,7 @@ } }, { - "pk": 61, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55455355582708, - "CA_CB_CG2": 111.00359546594, - "CA_CB_CG1": 110.924075094272, - "CB_CG2": 1.52693473507604, - "CB_CG1": 1.53971259663275, - "CG1_CB_CG2": 111.393610380007, - "CB_CG1_CD1": 114.763037322122 - } -}, -{ - "pk": 62, + "pk": 48, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50768008073461, @@ -24765,7 +20617,7 @@ } }, { - "pk": 63, + "pk": 49, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49538498979576, @@ -24778,20 +20630,7 @@ } }, { - "pk": 64, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.56506043320782, - "CA_CB_CG2": 109.699388803654, - "CA_CB_CG1": 111.906338435118, - "CB_CG2": 1.51411184438559, - "CB_CG1": 1.54016526731129, - "CG1_CB_CG2": 112.610940153959, - "CB_CG1_CD1": 113.014573304524 - } -}, -{ - "pk": 65, + "pk": 50, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51280322523152, @@ -24804,7 +20643,7 @@ } }, { - "pk": 66, + "pk": 51, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50981081055298, @@ -24817,20 +20656,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.56561790962389, - "CA_CB_CG2": 109.78346434311, - "CA_CB_CG1": 110.040559648447, - "CB_CG2": 1.51969831014714, - "CB_CG1": 1.54231099812874, - "CG1_CB_CG2": 110.636851974419, - "CB_CG1_CD1": 112.486254241839 - } -}, -{ - "pk": 68, + "pk": 52, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51087709409041, @@ -24843,7 +20669,7 @@ } }, { - "pk": 69, + "pk": 53, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50537664753013, @@ -24856,7 +20682,7 @@ } }, { - "pk": 70, + "pk": 54, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51037670567025, @@ -24869,7 +20695,7 @@ } }, { - "pk": 71, + "pk": 55, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50190103272416, @@ -24882,20 +20708,7 @@ } }, { - "pk": 72, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.48800488522619, - "CA_CB_CG2": 110.199157346253, - "CA_CB_CG1": 112.90308893818, - "CB_CG2": 1.51345146836404, - "CB_CG1": 1.52899026662974, - "CG1_CB_CG2": 111.417101365853, - "CB_CG1_CD1": 115.549401234254 - } -}, -{ - "pk": 73, + "pk": 56, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51085610230322, @@ -24908,20 +20721,7 @@ } }, { - "pk": 74, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55932184041525, - "CA_CB_CG2": 110.091102288728, - "CA_CB_CG1": 112.056725234402, - "CB_CG2": 1.547710428658, - "CB_CG1": 1.54619078463238, - "CG1_CB_CG2": 111.622373727911, - "CB_CG1_CD1": 111.267549848932 - } -}, -{ - "pk": 75, + "pk": 57, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51265234677724, @@ -24934,7 +20734,7 @@ } }, { - "pk": 76, + "pk": 58, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50922955416919, @@ -24947,20 +20747,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.53917729713533, - "CA_CB_CG2": 109.791947525039, - "CA_CB_CG1": 110.086738848747, - "CB_CG2": 1.53223493713152, - "CB_CG1": 1.52984928608151, - "CG1_CB_CG2": 110.493132556524, - "CB_CG1_CD1": 114.140292379681 - } -}, -{ - "pk": 78, + "pk": 59, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53680953464781, @@ -24973,33 +20760,7 @@ } }, { - "pk": 79, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.51498782128235, - "CA_CB_CG2": 110.174370228197, - "CA_CB_CG1": 111.92934568081, - "CB_CG2": 1.55483214007025, - "CB_CG1": 1.53695467985656, - "CG1_CB_CG2": 110.544270010051, - "CB_CG1_CD1": 111.902716906871 - } -}, -{ - "pk": 80, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.53237396444895, - "CA_CB_CG2": 111.66045488169, - "CA_CB_CG1": 112.014347406551, - "CB_CG2": 1.52805806078143, - "CB_CG1": 1.54364389760322, - "CG1_CB_CG2": 111.576538782704, - "CB_CG1_CD1": 111.187495011209 - } -}, -{ - "pk": 81, + "pk": 60, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.54544569597356, @@ -25012,7 +20773,7 @@ } }, { - "pk": 82, + "pk": 61, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50846505587449, @@ -25025,33 +20786,7 @@ } }, { - "pk": 83, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.52174397501424, - "CA_CB_CG2": 112.60413641747, - "CA_CB_CG1": 110.224126028724, - "CB_CG2": 1.51949107177602, - "CB_CG1": 1.5275548533002, - "CG1_CB_CG2": 110.058354354019, - "CB_CG1_CD1": 112.864522638084 - } -}, -{ - "pk": 84, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55258038722644, - "CA_CB_CG2": 110.786059046714, - "CA_CB_CG1": 110.189300201147, - "CB_CG2": 1.54101306344104, - "CB_CG1": 1.54739950488704, - "CG1_CB_CG2": 110.922100976366, - "CB_CG1_CD1": 113.535105652656 - } -}, -{ - "pk": 85, + "pk": 62, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51366861021095, @@ -25064,7 +20799,7 @@ } }, { - "pk": 86, + "pk": 63, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52459352715866, @@ -25077,7 +20812,7 @@ } }, { - "pk": 87, + "pk": 64, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51044770178733, @@ -25090,7 +20825,7 @@ } }, { - "pk": 88, + "pk": 65, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50792828421325, @@ -25103,33 +20838,7 @@ } }, { - "pk": 89, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.50900727638041, - "CA_CB_CG2": 111.546647416989, - "CA_CB_CG1": 108.308788286753, - "CB_CG2": 1.55456337909944, - "CB_CG1": 1.53398046012096, - "CG1_CB_CG2": 113.040429325813, - "CB_CG1_CD1": 112.975486057512 - } -}, -{ - "pk": 90, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.53020561519718, - "CA_CB_CG2": 111.216310469068, - "CA_CB_CG1": 109.298127409898, - "CB_CG2": 1.53276928165259, - "CB_CG1": 1.54159278824235, - "CG1_CB_CG2": 110.107261603791, - "CB_CG1_CD1": 112.581159419775 - } -}, -{ - "pk": 91, + "pk": 66, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53983712493855, @@ -25142,46 +20851,7 @@ } }, { - "pk": 92, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55800732436052, - "CA_CB_CG2": 110.56999167331, - "CA_CB_CG1": 111.041490962261, - "CB_CG2": 1.53723682667321, - "CB_CG1": 1.52386727938215, - "CG1_CB_CG2": 111.902072848023, - "CB_CG1_CD1": 114.743778749412 - } -}, -{ - "pk": 93, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.5691537936462, - "CA_CB_CG2": 109.936729815877, - "CA_CB_CG1": 111.857490077039, - "CB_CG2": 1.53187050020404, - "CB_CG1": 1.5446973311197, - "CG1_CB_CG2": 114.307279896963, - "CB_CG1_CD1": 112.643366083639 - } -}, -{ - "pk": 94, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.58083018429743, - "CA_CB_CG2": 111.752727489883, - "CA_CB_CG1": 111.676500383238, - "CB_CG2": 1.52976698223487, - "CB_CG1": 1.53480739811537, - "CG1_CB_CG2": 109.327806820665, - "CB_CG1_CD1": 110.860507814635 - } -}, -{ - "pk": 95, + "pk": 67, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.55005963396162, @@ -25194,7 +20864,7 @@ } }, { - "pk": 96, + "pk": 68, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.47795980782589, @@ -25207,33 +20877,7 @@ } }, { - "pk": 97, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.53906481265305, - "CA_CB_CG2": 111.27166764914, - "CA_CB_CG1": 109.467751240912, - "CB_CG2": 1.51449880855975, - "CB_CG1": 1.53386321507004, - "CG1_CB_CG2": 105.104745373328, - "CB_CG1_CD1": 113.590416072035 - } -}, -{ - "pk": 98, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55447806209441, - "CA_CB_CG2": 109.511840324478, - "CA_CB_CG1": 111.259309061032, - "CB_CG2": 1.53230181138753, - "CB_CG1": 1.52838503544109, - "CG1_CB_CG2": 111.291387707902, - "CB_CG1_CD1": 113.709445831932 - } -}, -{ - "pk": 99, + "pk": 69, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51589360144812, @@ -25246,7 +20890,7 @@ } }, { - "pk": 100, + "pk": 70, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5027806637857, @@ -25259,7 +20903,7 @@ } }, { - "pk": 101, + "pk": 71, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49492271702639, @@ -25272,7 +20916,7 @@ } }, { - "pk": 102, + "pk": 72, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49939769377643, @@ -25285,7 +20929,7 @@ } }, { - "pk": 103, + "pk": 73, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50655557195207, @@ -25298,7 +20942,7 @@ } }, { - "pk": 104, + "pk": 74, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51289765267799, @@ -25311,20 +20955,7 @@ } }, { - "pk": 105, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.58034652413029, - "CA_CB_CG2": 111.623385928062, - "CA_CB_CG1": 111.129149808871, - "CB_CG2": 1.55668680637567, - "CB_CG1": 1.54412750387541, - "CG1_CB_CG2": 111.096003844552, - "CB_CG1_CD1": 114.069870334781 - } -}, -{ - "pk": 106, + "pk": 75, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50255928483786, @@ -25337,7 +20968,7 @@ } }, { - "pk": 107, + "pk": 76, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51434953992872, @@ -25350,7 +20981,7 @@ } }, { - "pk": 108, + "pk": 77, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50341836916481, @@ -25363,7 +20994,7 @@ } }, { - "pk": 109, + "pk": 78, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53172314347648, @@ -25376,20 +21007,7 @@ } }, { - "pk": 110, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.4925946727075, - "CA_CB_CG2": 110.556142494138, - "CA_CB_CG1": 109.396831295505, - "CB_CG2": 1.52982048196267, - "CB_CG1": 1.53209377474004, - "CG1_CB_CG2": 110.795786924229, - "CB_CG1_CD1": 113.281853364076 - } -}, -{ - "pk": 111, + "pk": 79, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.4894574579106, @@ -25402,7 +21020,7 @@ } }, { - "pk": 112, + "pk": 80, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5025504764519, @@ -25415,7 +21033,7 @@ } }, { - "pk": 113, + "pk": 81, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50081059284338, @@ -25428,20 +21046,7 @@ } }, { - "pk": 114, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54941346379713, - "CA_CB_CG2": 108.877568977516, - "CA_CB_CG1": 111.001073898089, - "CB_CG2": 1.50794462901783, - "CB_CG1": 1.53026637695434, - "CG1_CB_CG2": 110.509981710152, - "CB_CG1_CD1": 111.364010175063 - } -}, -{ - "pk": 115, + "pk": 82, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53376698544937, @@ -25454,7 +21059,7 @@ } }, { - "pk": 116, + "pk": 83, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.47670009125185, @@ -25467,7 +21072,7 @@ } }, { - "pk": 117, + "pk": 84, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52720140469307, @@ -25480,7 +21085,7 @@ } }, { - "pk": 118, + "pk": 85, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53446938232094, @@ -25493,7 +21098,7 @@ } }, { - "pk": 119, + "pk": 86, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50363401964231, @@ -25506,111 +21111,7 @@ } }, { - "pk": 120, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.5263019148819, - "CA_CB_CG2": 111.869123361699, - "CA_CB_CG1": 110.277114214942, - "CB_CG2": 1.54267147950129, - "CB_CG1": 1.53737238796707, - "CG1_CB_CG2": 111.926471310905, - "CB_CG1_CD1": 114.1029522271 - } -}, -{ - "pk": 121, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.49487665808449, - "CA_CB_CG2": 110.46589825812, - "CA_CB_CG1": 111.022512658186, - "CB_CG2": 1.53165888775106, - "CB_CG1": 1.5259842162711, - "CG1_CB_CG2": 113.998987989626, - "CB_CG1_CD1": 114.723950887665 - } -}, -{ - "pk": 122, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.47442293394137, - "CA_CB_CG2": 110.425011502246, - "CA_CB_CG1": 109.786599244153, - "CB_CG2": 1.53897098430149, - "CB_CG1": 1.52611695486749, - "CG1_CB_CG2": 108.985149141337, - "CB_CG1_CD1": 112.411296432426 - } -}, -{ - "pk": 123, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.48381020605553, - "CA_CB_CG2": 109.707260456356, - "CA_CB_CG1": 109.329756561365, - "CB_CG2": 1.51616220909712, - "CB_CG1": 1.53984579141155, - "CG1_CB_CG2": 111.065652175047, - "CB_CG1_CD1": 115.697091292601 - } -}, -{ - "pk": 124, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.56118685379386, - "CA_CB_CG2": 111.107834218794, - "CA_CB_CG1": 111.236249139733, - "CB_CG2": 1.55811899766687, - "CB_CG1": 1.53236105221618, - "CG1_CB_CG2": 111.320551127184, - "CB_CG1_CD1": 114.010454631123 - } -}, -{ - "pk": 125, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.51052908424487, - "CA_CB_CG2": 110.646451299965, - "CA_CB_CG1": 111.329932602291, - "CB_CG2": 1.52195523275271, - "CB_CG1": 1.52722484115596, - "CG1_CB_CG2": 112.627876849647, - "CB_CG1_CD1": 114.810293857302 - } -}, -{ - "pk": 126, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54227541375745, - "CA_CB_CG2": 111.08922614084, - "CA_CB_CG1": 112.06891896079, - "CB_CG2": 1.52201674002826, - "CB_CG1": 1.53951892253695, - "CG1_CB_CG2": 113.259194670567, - "CB_CG1_CD1": 112.575490093462 - } -}, -{ - "pk": 127, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.50833125160991, - "CA_CB_CG2": 111.123898357356, - "CA_CB_CG1": 109.230057091196, - "CB_CG2": 1.50954666685051, - "CB_CG1": 1.53517995706794, - "CG1_CB_CG2": 112.83235868698, - "CB_CG1_CD1": 112.353720284221 - } -}, -{ - "pk": 128, + "pk": 87, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49699045704488, @@ -25623,7 +21124,7 @@ } }, { - "pk": 129, + "pk": 88, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49091541540481, @@ -25636,20 +21137,7 @@ } }, { - "pk": 130, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55857163327599, - "CA_CB_CG2": 110.655702082367, - "CA_CB_CG1": 110.528553641552, - "CB_CG2": 1.54074218683166, - "CB_CG1": 1.5386428455672, - "CG1_CB_CG2": 111.154542157306, - "CB_CG1_CD1": 113.863771235176 - } -}, -{ - "pk": 131, + "pk": 89, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50113547042543, @@ -25662,20 +21150,7 @@ } }, { - "pk": 132, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.47564341841104, - "CA_CB_CG2": 110.560839274859, - "CA_CB_CG1": 109.595653805608, - "CB_CG2": 1.52877757978289, - "CB_CG1": 1.52673863948531, - "CG1_CB_CG2": 110.865964135887, - "CB_CG1_CD1": 113.765881574476 - } -}, -{ - "pk": 133, + "pk": 90, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51789052070353, @@ -25688,33 +21163,7 @@ } }, { - "pk": 134, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54724920546849, - "CA_CB_CG2": 110.893693974608, - "CA_CB_CG1": 111.076086441675, - "CB_CG2": 1.51594388079759, - "CB_CG1": 1.52016881204265, - "CG1_CB_CG2": 109.424827004663, - "CB_CG1_CD1": 113.872488412141 - } -}, -{ - "pk": 135, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.50228027395561, - "CA_CB_CG2": 111.327731521149, - "CA_CB_CG1": 108.276930431905, - "CB_CG2": 1.53516568175615, - "CB_CG1": 1.54047004261039, - "CG1_CB_CG2": 111.175308749658, - "CB_CG1_CD1": 112.704347866394 - } -}, -{ - "pk": 136, + "pk": 91, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52232518186896, @@ -25727,7 +21176,7 @@ } }, { - "pk": 137, + "pk": 92, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49949021936451, @@ -25740,33 +21189,7 @@ } }, { - "pk": 138, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.49086526805726, - "CA_CB_CG2": 110.533849326928, - "CA_CB_CG1": 110.179198971648, - "CB_CG2": 1.51778644346998, - "CB_CG1": 1.53579762091401, - "CG1_CB_CG2": 112.517284240889, - "CB_CG1_CD1": 114.411978303695 - } -}, -{ - "pk": 139, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55142999150081, - "CA_CB_CG2": 111.198203344977, - "CA_CB_CG1": 109.623106848205, - "CB_CG2": 1.55370183486025, - "CB_CG1": 1.52446010452089, - "CG1_CB_CG2": 110.079604946701, - "CB_CG1_CD1": 113.736333522182 - } -}, -{ - "pk": 140, + "pk": 93, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51904117692143, @@ -25779,7 +21202,7 @@ } }, { - "pk": 141, + "pk": 94, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49059552665582, @@ -25792,20 +21215,7 @@ } }, { - "pk": 142, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.54560542465037, - "CA_CB_CG2": 111.895776365745, - "CA_CB_CG1": 110.109182905873, - "CB_CG2": 1.55246413125909, - "CB_CG1": 1.52635694714344, - "CG1_CB_CG2": 108.855451249398, - "CB_CG1_CD1": 113.520303617982 - } -}, -{ - "pk": 143, + "pk": 95, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50402915709453, @@ -25818,7 +21228,7 @@ } }, { - "pk": 144, + "pk": 96, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51976434196148, @@ -25831,46 +21241,7 @@ } }, { - "pk": 145, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.49462396984032, - "CA_CB_CG2": 110.81427043299, - "CA_CB_CG1": 110.951425388444, - "CB_CG2": 1.48862514060369, - "CB_CG1": 1.53539168514156, - "CG1_CB_CG2": 109.396601472372, - "CB_CG1_CD1": 113.847302259507 - } -}, -{ - "pk": 146, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55162228182147, - "CA_CB_CG2": 111.132534058757, - "CA_CB_CG1": 113.07012173792, - "CB_CG2": 1.48771213630226, - "CB_CG1": 1.53223781653247, - "CG1_CB_CG2": 110.408190592825, - "CB_CG1_CD1": 110.443425777971 - } -}, -{ - "pk": 147, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.49734275842162, - "CA_CB_CG2": 110.974560739367, - "CA_CB_CG1": 110.850757033099, - "CB_CG2": 1.53050641734109, - "CB_CG1": 1.52224401886315, - "CG1_CB_CG2": 109.689720321278, - "CB_CG1_CD1": 112.613949033061 - } -}, -{ - "pk": 148, + "pk": 97, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50919474989269, @@ -25883,20 +21254,7 @@ } }, { - "pk": 149, - "model": "pgd_core.sidechain_ile", - "fields": { - "CG1_CD1": 1.55532549164143, - "CA_CB_CG2": 109.471137181878, - "CA_CB_CG1": 111.740417226748, - "CB_CG2": 1.55736063123243, - "CB_CG1": 1.53565597148535, - "CG1_CB_CG2": 111.015173806381, - "CB_CG1_CD1": 114.052821912924 - } -}, -{ - "pk": 150, + "pk": 98, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50158717352996, @@ -25909,7 +21267,7 @@ } }, { - "pk": 151, + "pk": 99, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49551104424758, @@ -25922,7 +21280,7 @@ } }, { - "pk": 152, + "pk": 100, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53276919296084, @@ -25935,7 +21293,7 @@ } }, { - "pk": 153, + "pk": 101, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50609621928479, @@ -25948,7 +21306,7 @@ } }, { - "pk": 154, + "pk": 102, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.4974058982802, @@ -25961,7 +21319,7 @@ } }, { - "pk": 155, + "pk": 103, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53245849904201, @@ -25974,7 +21332,7 @@ } }, { - "pk": 156, + "pk": 104, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5102706679977, @@ -25987,7 +21345,7 @@ } }, { - "pk": 157, + "pk": 105, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50209016674758, @@ -26000,7 +21358,7 @@ } }, { - "pk": 158, + "pk": 106, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52125226341238, @@ -26013,7 +21371,7 @@ } }, { - "pk": 159, + "pk": 107, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50337590350952, @@ -26026,7 +21384,7 @@ } }, { - "pk": 160, + "pk": 108, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50988924089788, @@ -26039,7 +21397,7 @@ } }, { - "pk": 161, + "pk": 109, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51646751977751, @@ -26052,7 +21410,7 @@ } }, { - "pk": 162, + "pk": 110, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51565313134543, @@ -26065,7 +21423,7 @@ } }, { - "pk": 163, + "pk": 111, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52290210895935, @@ -26078,7 +21436,7 @@ } }, { - "pk": 164, + "pk": 112, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52347498491904, @@ -26091,7 +21449,7 @@ } }, { - "pk": 165, + "pk": 113, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5141448801918, @@ -26104,7 +21462,7 @@ } }, { - "pk": 166, + "pk": 114, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50928709680087, @@ -26117,7 +21475,7 @@ } }, { - "pk": 167, + "pk": 115, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51095350253519, @@ -26130,7 +21488,7 @@ } }, { - "pk": 168, + "pk": 116, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50735823729234, @@ -26143,7 +21501,7 @@ } }, { - "pk": 169, + "pk": 117, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52249733734353, @@ -26156,7 +21514,7 @@ } }, { - "pk": 170, + "pk": 118, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5067318452775, @@ -26169,7 +21527,7 @@ } }, { - "pk": 171, + "pk": 119, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52790379782377, @@ -26182,7 +21540,7 @@ } }, { - "pk": 172, + "pk": 120, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5185450964547, @@ -26195,7 +21553,7 @@ } }, { - "pk": 173, + "pk": 121, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5033165291224, @@ -26208,7 +21566,7 @@ } }, { - "pk": 174, + "pk": 122, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50197650982157, @@ -26221,7 +21579,7 @@ } }, { - "pk": 175, + "pk": 123, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.48879041883183, @@ -26234,7 +21592,7 @@ } }, { - "pk": 176, + "pk": 124, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.525259528266, @@ -26247,7 +21605,7 @@ } }, { - "pk": 177, + "pk": 125, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53663904167479, @@ -26260,7 +21618,7 @@ } }, { - "pk": 178, + "pk": 126, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.4999174558702, @@ -26273,7 +21631,7 @@ } }, { - "pk": 179, + "pk": 127, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51979856714708, @@ -26286,7 +21644,7 @@ } }, { - "pk": 180, + "pk": 128, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.48942644443103, @@ -26299,7 +21657,7 @@ } }, { - "pk": 181, + "pk": 129, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51210680615869, @@ -26312,7 +21670,7 @@ } }, { - "pk": 182, + "pk": 130, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50295922863587, @@ -26325,7 +21683,7 @@ } }, { - "pk": 183, + "pk": 131, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50208998153664, @@ -26338,7 +21696,7 @@ } }, { - "pk": 184, + "pk": 132, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51507773159768, @@ -26351,7 +21709,7 @@ } }, { - "pk": 185, + "pk": 133, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50951549837928, @@ -26364,7 +21722,7 @@ } }, { - "pk": 186, + "pk": 134, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51912457135631, @@ -26377,7 +21735,7 @@ } }, { - "pk": 187, + "pk": 135, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49059489113047, @@ -26390,7 +21748,7 @@ } }, { - "pk": 188, + "pk": 136, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49333390781391, @@ -26403,7 +21761,7 @@ } }, { - "pk": 189, + "pk": 137, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51194204328551, @@ -26416,7 +21774,7 @@ } }, { - "pk": 190, + "pk": 138, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52651474761807, @@ -26429,7 +21787,7 @@ } }, { - "pk": 191, + "pk": 139, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52840847926019, @@ -26442,7 +21800,7 @@ } }, { - "pk": 192, + "pk": 140, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51538312401371, @@ -26455,7 +21813,7 @@ } }, { - "pk": 193, + "pk": 141, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52776636638864, @@ -26468,7 +21826,7 @@ } }, { - "pk": 194, + "pk": 142, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50867847375949, @@ -26481,7 +21839,7 @@ } }, { - "pk": 195, + "pk": 143, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52423777676784, @@ -26494,7 +21852,7 @@ } }, { - "pk": 196, + "pk": 144, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49791817737593, @@ -26507,7 +21865,7 @@ } }, { - "pk": 197, + "pk": 145, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50645089375437, @@ -26520,7 +21878,7 @@ } }, { - "pk": 198, + "pk": 146, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49548851012961, @@ -26533,7 +21891,7 @@ } }, { - "pk": 199, + "pk": 147, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5072124569648, @@ -26546,7 +21904,7 @@ } }, { - "pk": 200, + "pk": 148, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.4897773968506, @@ -26559,7 +21917,7 @@ } }, { - "pk": 201, + "pk": 149, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50135090996561, @@ -26572,7 +21930,7 @@ } }, { - "pk": 202, + "pk": 150, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49667555966444, @@ -26585,7 +21943,7 @@ } }, { - "pk": 203, + "pk": 151, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.48753561922023, @@ -26598,7 +21956,7 @@ } }, { - "pk": 204, + "pk": 152, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51742148743688, @@ -26611,7 +21969,7 @@ } }, { - "pk": 205, + "pk": 153, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50975404181811, @@ -26624,7 +21982,7 @@ } }, { - "pk": 206, + "pk": 154, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51711880526428, @@ -26637,7 +21995,7 @@ } }, { - "pk": 207, + "pk": 155, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51496819582234, @@ -26650,7 +22008,7 @@ } }, { - "pk": 208, + "pk": 156, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51325052274788, @@ -26663,7 +22021,7 @@ } }, { - "pk": 209, + "pk": 157, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51062130287032, @@ -26676,7 +22034,7 @@ } }, { - "pk": 210, + "pk": 158, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50975653994505, @@ -26689,7 +22047,7 @@ } }, { - "pk": 211, + "pk": 159, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52245142909676, @@ -26702,7 +22060,7 @@ } }, { - "pk": 212, + "pk": 160, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51623433292425, @@ -26715,7 +22073,7 @@ } }, { - "pk": 213, + "pk": 161, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50167150224683, @@ -26728,7 +22086,7 @@ } }, { - "pk": 214, + "pk": 162, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53383137062279, @@ -26741,7 +22099,7 @@ } }, { - "pk": 215, + "pk": 163, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49930744097748, @@ -26754,7 +22112,7 @@ } }, { - "pk": 216, + "pk": 164, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50394222807622, @@ -26767,7 +22125,7 @@ } }, { - "pk": 217, + "pk": 165, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5185011365271, @@ -26780,7 +22138,7 @@ } }, { - "pk": 218, + "pk": 166, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50358952254811, @@ -26793,7 +22151,7 @@ } }, { - "pk": 219, + "pk": 167, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50150558733109, @@ -26806,7 +22164,7 @@ } }, { - "pk": 220, + "pk": 168, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.47819061182914, @@ -26819,7 +22177,7 @@ } }, { - "pk": 221, + "pk": 169, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49826381199607, @@ -26832,7 +22190,7 @@ } }, { - "pk": 222, + "pk": 170, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51618664040289, @@ -26845,7 +22203,7 @@ } }, { - "pk": 223, + "pk": 171, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51903795946672, @@ -26858,7 +22216,7 @@ } }, { - "pk": 224, + "pk": 172, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53362861356775, @@ -26871,7 +22229,7 @@ } }, { - "pk": 225, + "pk": 173, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49157275307391, @@ -26884,7 +22242,7 @@ } }, { - "pk": 226, + "pk": 174, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51568029031778, @@ -26897,7 +22255,7 @@ } }, { - "pk": 227, + "pk": 175, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52990468614173, @@ -26910,7 +22268,7 @@ } }, { - "pk": 228, + "pk": 176, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53274500997014, @@ -26923,7 +22281,7 @@ } }, { - "pk": 229, + "pk": 177, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.48553542924731, @@ -26936,7 +22294,7 @@ } }, { - "pk": 230, + "pk": 178, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52246943958785, @@ -26949,7 +22307,7 @@ } }, { - "pk": 231, + "pk": 179, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49248822826947, @@ -26962,7 +22320,7 @@ } }, { - "pk": 232, + "pk": 180, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53933659941583, @@ -26975,7 +22333,7 @@ } }, { - "pk": 233, + "pk": 181, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.47113659957524, @@ -26988,7 +22346,7 @@ } }, { - "pk": 234, + "pk": 182, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49837183269834, @@ -27001,7 +22359,7 @@ } }, { - "pk": 235, + "pk": 183, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52592140289048, @@ -27014,7 +22372,7 @@ } }, { - "pk": 236, + "pk": 184, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52103585101409, @@ -27027,7 +22385,7 @@ } }, { - "pk": 237, + "pk": 185, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51177846526527, @@ -27040,7 +22398,7 @@ } }, { - "pk": 238, + "pk": 186, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51077748120593, @@ -27053,7 +22411,7 @@ } }, { - "pk": 239, + "pk": 187, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51138279045065, @@ -27066,7 +22424,7 @@ } }, { - "pk": 240, + "pk": 188, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52540600380803, @@ -27079,7 +22437,7 @@ } }, { - "pk": 241, + "pk": 189, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50879901432221, @@ -27092,7 +22450,7 @@ } }, { - "pk": 242, + "pk": 190, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49664221504842, @@ -27105,7 +22463,7 @@ } }, { - "pk": 243, + "pk": 191, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52383674626503, @@ -27118,7 +22476,7 @@ } }, { - "pk": 244, + "pk": 192, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52668491190609, @@ -27131,7 +22489,7 @@ } }, { - "pk": 245, + "pk": 193, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51345628426452, @@ -27144,7 +22502,7 @@ } }, { - "pk": 246, + "pk": 194, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52663308333316, @@ -27157,7 +22515,7 @@ } }, { - "pk": 247, + "pk": 195, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51745962299327, @@ -27170,7 +22528,7 @@ } }, { - "pk": 248, + "pk": 196, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49355742227217, @@ -27183,7 +22541,7 @@ } }, { - "pk": 249, + "pk": 197, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50904911942553, @@ -27196,7 +22554,7 @@ } }, { - "pk": 250, + "pk": 198, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.48624592457837, @@ -27209,7 +22567,7 @@ } }, { - "pk": 251, + "pk": 199, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52284326288841, @@ -27222,7 +22580,7 @@ } }, { - "pk": 252, + "pk": 200, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52092843443881, @@ -27235,7 +22593,7 @@ } }, { - "pk": 253, + "pk": 201, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.47366822877218, @@ -27248,7 +22606,7 @@ } }, { - "pk": 254, + "pk": 202, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52619247980678, @@ -27261,7 +22619,7 @@ } }, { - "pk": 255, + "pk": 203, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.48859788430792, @@ -27274,7 +22632,7 @@ } }, { - "pk": 256, + "pk": 204, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.54054804916516, @@ -27287,7 +22645,7 @@ } }, { - "pk": 257, + "pk": 205, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51134270751011, @@ -27300,7 +22658,7 @@ } }, { - "pk": 258, + "pk": 206, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.54291271236056, @@ -27313,7 +22671,7 @@ } }, { - "pk": 259, + "pk": 207, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52400734843406, @@ -27326,7 +22684,7 @@ } }, { - "pk": 260, + "pk": 208, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49024187619247, @@ -27339,7 +22697,7 @@ } }, { - "pk": 261, + "pk": 209, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.53457421946228, @@ -27352,7 +22710,7 @@ } }, { - "pk": 262, + "pk": 210, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50898975430194, @@ -27365,7 +22723,7 @@ } }, { - "pk": 263, + "pk": 211, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49659621386767, @@ -27378,7 +22736,7 @@ } }, { - "pk": 264, + "pk": 212, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52014962306508, @@ -27391,7 +22749,7 @@ } }, { - "pk": 265, + "pk": 213, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50789734776932, @@ -27404,7 +22762,7 @@ } }, { - "pk": 266, + "pk": 214, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51243706695575, @@ -27417,7 +22775,7 @@ } }, { - "pk": 267, + "pk": 215, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50058153144117, @@ -27430,7 +22788,7 @@ } }, { - "pk": 268, + "pk": 216, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5055989238485, @@ -27443,7 +22801,7 @@ } }, { - "pk": 269, + "pk": 217, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51305908233319, @@ -27456,7 +22814,7 @@ } }, { - "pk": 270, + "pk": 218, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52110868996176, @@ -27469,7 +22827,7 @@ } }, { - "pk": 271, + "pk": 219, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.54793927234049, @@ -27482,7 +22840,7 @@ } }, { - "pk": 272, + "pk": 220, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51372712044232, @@ -27495,7 +22853,7 @@ } }, { - "pk": 273, + "pk": 221, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50051255246558, @@ -27508,7 +22866,7 @@ } }, { - "pk": 274, + "pk": 222, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.55031626768796, @@ -27521,7 +22879,7 @@ } }, { - "pk": 275, + "pk": 223, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51736280451988, @@ -27534,7 +22892,7 @@ } }, { - "pk": 276, + "pk": 224, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.57249573153725, @@ -27547,7 +22905,7 @@ } }, { - "pk": 277, + "pk": 225, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5142768154505, @@ -27560,7 +22918,7 @@ } }, { - "pk": 278, + "pk": 226, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49023210383574, @@ -27573,7 +22931,7 @@ } }, { - "pk": 279, + "pk": 227, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50852711022184, @@ -27586,7 +22944,7 @@ } }, { - "pk": 280, + "pk": 228, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51816110424491, @@ -27599,7 +22957,7 @@ } }, { - "pk": 281, + "pk": 229, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51237742421824, @@ -27612,7 +22970,7 @@ } }, { - "pk": 282, + "pk": 230, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.505271079276, @@ -27625,7 +22983,7 @@ } }, { - "pk": 283, + "pk": 231, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52718404008392, @@ -27638,7 +22996,7 @@ } }, { - "pk": 284, + "pk": 232, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50316239286699, @@ -27651,7 +23009,7 @@ } }, { - "pk": 285, + "pk": 233, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52390123932212, @@ -27664,7 +23022,7 @@ } }, { - "pk": 286, + "pk": 234, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51048742117049, @@ -27677,7 +23035,7 @@ } }, { - "pk": 287, + "pk": 235, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50061108764307, @@ -27690,7 +23048,7 @@ } }, { - "pk": 288, + "pk": 236, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50568890809357, @@ -27703,7 +23061,7 @@ } }, { - "pk": 289, + "pk": 237, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.4940426806354, @@ -27716,7 +23074,7 @@ } }, { - "pk": 290, + "pk": 238, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5076010182015, @@ -27729,7 +23087,7 @@ } }, { - "pk": 291, + "pk": 239, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51253171182255, @@ -27742,7 +23100,7 @@ } }, { - "pk": 292, + "pk": 240, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50324608040446, @@ -27755,7 +23113,7 @@ } }, { - "pk": 293, + "pk": 241, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51776789339507, @@ -27768,7 +23126,7 @@ } }, { - "pk": 294, + "pk": 242, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51023492281735, @@ -27781,7 +23139,7 @@ } }, { - "pk": 295, + "pk": 243, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49718312366762, @@ -27794,7 +23152,7 @@ } }, { - "pk": 296, + "pk": 244, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50925230338225, @@ -27807,7 +23165,7 @@ } }, { - "pk": 297, + "pk": 245, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51960907738952, @@ -27820,7 +23178,7 @@ } }, { - "pk": 298, + "pk": 246, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50528528818661, @@ -27833,7 +23191,7 @@ } }, { - "pk": 299, + "pk": 247, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50011864350592, @@ -27846,7 +23204,7 @@ } }, { - "pk": 300, + "pk": 248, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49559168415672, @@ -27859,7 +23217,7 @@ } }, { - "pk": 301, + "pk": 249, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51709255130344, @@ -27872,7 +23230,7 @@ } }, { - "pk": 302, + "pk": 250, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51757863718658, @@ -27885,7 +23243,7 @@ } }, { - "pk": 303, + "pk": 251, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50281383703623, @@ -27898,7 +23256,7 @@ } }, { - "pk": 304, + "pk": 252, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50752510806061, @@ -27911,7 +23269,7 @@ } }, { - "pk": 305, + "pk": 253, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51406286567737, @@ -27924,7 +23282,7 @@ } }, { - "pk": 306, + "pk": 254, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51056870681769, @@ -27937,7 +23295,7 @@ } }, { - "pk": 307, + "pk": 255, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50451275656502, @@ -27950,7 +23308,7 @@ } }, { - "pk": 308, + "pk": 256, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51902911857274, @@ -27963,7 +23321,7 @@ } }, { - "pk": 309, + "pk": 257, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.49364793637077, @@ -27976,7 +23334,7 @@ } }, { - "pk": 310, + "pk": 258, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52389253343651, @@ -27989,7 +23347,7 @@ } }, { - "pk": 311, + "pk": 259, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51818338243686, @@ -28002,7 +23360,7 @@ } }, { - "pk": 312, + "pk": 260, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50203689588879, @@ -28015,7 +23373,7 @@ } }, { - "pk": 313, + "pk": 261, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.5005305195377, @@ -28028,7 +23386,7 @@ } }, { - "pk": 314, + "pk": 262, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.51977634414372, @@ -28041,7 +23399,7 @@ } }, { - "pk": 315, + "pk": 263, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50828041330666, @@ -28054,7 +23412,7 @@ } }, { - "pk": 316, + "pk": 264, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.52186710324778, @@ -28067,7 +23425,7 @@ } }, { - "pk": 317, + "pk": 265, "model": "pgd_core.sidechain_ile", "fields": { "CG1_CD1": 1.50550785373146, @@ -28083,182 +23441,182 @@ "pk": 1, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.51573735056002, - "CD1_CG_CD2": 111.536878613559, - "CG_CD1": 1.54099797066906, - "CB_CG": 1.53732430052199, - "CB_CG_CD2": 108.71256347867, - "CB_CG_CD1": 114.056271788842, - "CA_CB_CG": 116.35877236978 + "CG_CD2": 1.53921560972101, + "CD1_CG_CD2": 108.648860140427, + "CG_CD1": 1.52404761549903, + "CB_CG": 1.52098674331676, + "CB_CG_CD2": 104.900583664948, + "CB_CG_CD1": 114.219724888172, + "CA_CB_CG": 122.736559061354 } }, { "pk": 2, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.52329139381561, - "CD1_CG_CD2": 109.110311128893, - "CG_CD1": 1.52076160989514, - "CB_CG": 1.511585292983, - "CB_CG_CD2": 112.085075820556, - "CB_CG_CD1": 109.508634932966, - "CA_CB_CG": 115.989268654767 + "CG_CD2": 1.55994275260952, + "CD1_CG_CD2": 108.242054671283, + "CG_CD1": 1.53020173176784, + "CB_CG": 1.55427325136503, + "CB_CG_CD2": 111.475666812721, + "CB_CG_CD1": 108.511416560108, + "CA_CB_CG": 118.018855761986 } }, { "pk": 3, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.50451464110227, - "CD1_CG_CD2": 109.96149632878, - "CG_CD1": 1.53550757239518, - "CB_CG": 1.51010882886111, - "CB_CG_CD2": 113.261247409388, - "CB_CG_CD1": 110.109099410714, - "CA_CB_CG": 116.72015411273 + "CG_CD2": 1.51573735056002, + "CD1_CG_CD2": 111.536878613559, + "CG_CD1": 1.54099797066906, + "CB_CG": 1.53732430052199, + "CB_CG_CD2": 108.71256347867, + "CB_CG_CD1": 114.056271788842, + "CA_CB_CG": 116.35877236978 } }, { "pk": 4, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.50662157052994, - "CD1_CG_CD2": 109.558965881867, - "CG_CD1": 1.51230460335654, - "CB_CG": 1.54218457334481, - "CB_CG_CD2": 111.489025053156, - "CB_CG_CD1": 107.373935982537, - "CA_CB_CG": 110.564941736126 + "CG_CD2": 1.49388746330556, + "CD1_CG_CD2": 111.039872997067, + "CG_CD1": 1.50021505355524, + "CB_CG": 1.51812077023165, + "CB_CG_CD2": 108.309654122743, + "CB_CG_CD1": 108.900915590732, + "CA_CB_CG": 116.908367467513 } }, { "pk": 5, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53661160757327, - "CD1_CG_CD2": 107.947571876285, - "CG_CD1": 1.51545957207773, - "CB_CG": 1.52674004416962, - "CB_CG_CD2": 107.810440232582, - "CB_CG_CD1": 109.945170762534, - "CA_CB_CG": 117.023214382074 + "CG_CD2": 1.52329139381561, + "CD1_CG_CD2": 109.110311128893, + "CG_CD1": 1.52076160989514, + "CB_CG": 1.511585292983, + "CB_CG_CD2": 112.085075820556, + "CB_CG_CD1": 109.508634932966, + "CA_CB_CG": 115.989268654767 } }, { "pk": 6, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53124301639287, - "CD1_CG_CD2": 111.782146442613, - "CG_CD1": 1.51338861550864, - "CB_CG": 1.52513436600777, - "CB_CG_CD2": 108.277339456954, - "CB_CG_CD1": 111.855779652338, - "CA_CB_CG": 115.118110989285 + "CG_CD2": 1.5194445622417, + "CD1_CG_CD2": 110.034365906877, + "CG_CD1": 1.53457868613362, + "CB_CG": 1.54540893891675, + "CB_CG_CD2": 111.250619529537, + "CB_CG_CD1": 112.726764896434, + "CA_CB_CG": 117.063041041698 } }, { "pk": 7, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.5083249202042, - "CD1_CG_CD2": 112.685362997395, - "CG_CD1": 1.51284725800769, - "CB_CG": 1.52283478884773, - "CB_CG_CD2": 109.086889133532, - "CB_CG_CD1": 108.962773608036, - "CA_CB_CG": 114.345222099909 + "CG_CD2": 1.53990236627012, + "CD1_CG_CD2": 110.557061412114, + "CG_CD1": 1.53000221482729, + "CB_CG": 1.55837766081177, + "CB_CG_CD2": 108.621117238722, + "CB_CG_CD1": 110.871302117065, + "CA_CB_CG": 114.589454126179 } }, { "pk": 8, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53786916484113, - "CD1_CG_CD2": 108.916073614624, - "CG_CD1": 1.54087677115136, - "CB_CG": 1.51966585584068, - "CB_CG_CD2": 109.422537322197, - "CB_CG_CD1": 113.27997646491, - "CA_CB_CG": 116.590210573934 + "CG_CD2": 1.50451464110227, + "CD1_CG_CD2": 109.96149632878, + "CG_CD1": 1.53550757239518, + "CB_CG": 1.51010882886111, + "CB_CG_CD2": 113.261247409388, + "CB_CG_CD1": 110.109099410714, + "CA_CB_CG": 116.72015411273 } }, { "pk": 9, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53921560972101, - "CD1_CG_CD2": 108.648860140427, - "CG_CD1": 1.52404761549903, - "CB_CG": 1.52098674331676, - "CB_CG_CD2": 104.900583664948, - "CB_CG_CD1": 114.219724888172, - "CA_CB_CG": 122.736559061354 + "CG_CD2": 1.531616984354, + "CD1_CG_CD2": 109.69303769961, + "CG_CD1": 1.53364414763385, + "CB_CG": 1.52019193050641, + "CB_CG_CD2": 111.278304518243, + "CB_CG_CD1": 107.393895810554, + "CA_CB_CG": 122.890773936315 } }, { "pk": 10, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.55994275260952, - "CD1_CG_CD2": 108.242054671283, - "CG_CD1": 1.53020173176784, - "CB_CG": 1.55427325136503, - "CB_CG_CD2": 111.475666812721, - "CB_CG_CD1": 108.511416560108, - "CA_CB_CG": 118.018855761986 + "CG_CD2": 1.53693619381932, + "CD1_CG_CD2": 109.95564147425, + "CG_CD1": 1.51326383041485, + "CB_CG": 1.53525195014222, + "CB_CG_CD2": 111.173905448584, + "CB_CG_CD1": 108.897595616793, + "CA_CB_CG": 118.914903122922 } }, { "pk": 11, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.49388746330556, - "CD1_CG_CD2": 111.039872997067, - "CG_CD1": 1.50021505355524, - "CB_CG": 1.51812077023165, - "CB_CG_CD2": 108.309654122743, - "CB_CG_CD1": 108.900915590732, - "CA_CB_CG": 116.908367467513 + "CG_CD2": 1.50662157052994, + "CD1_CG_CD2": 109.558965881867, + "CG_CD1": 1.51230460335654, + "CB_CG": 1.54218457334481, + "CB_CG_CD2": 111.489025053156, + "CB_CG_CD1": 107.373935982537, + "CA_CB_CG": 110.564941736126 } }, { "pk": 12, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53990236627012, - "CD1_CG_CD2": 110.557061412114, - "CG_CD1": 1.53000221482729, - "CB_CG": 1.55837766081177, - "CB_CG_CD2": 108.621117238722, - "CB_CG_CD1": 110.871302117065, - "CA_CB_CG": 114.589454126179 + "CG_CD2": 1.5504490793119, + "CD1_CG_CD2": 110.650362573789, + "CG_CD1": 1.53942241936277, + "CB_CG": 1.55098819540328, + "CB_CG_CD2": 109.198000122047, + "CB_CG_CD1": 111.720503483353, + "CA_CB_CG": 118.185780726059 } }, { "pk": 13, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.531616984354, - "CD1_CG_CD2": 109.69303769961, - "CG_CD1": 1.53364414763385, - "CB_CG": 1.52019193050641, - "CB_CG_CD2": 111.278304518243, - "CB_CG_CD1": 107.393895810554, - "CA_CB_CG": 122.890773936315 + "CG_CD2": 1.53661160757327, + "CD1_CG_CD2": 107.947571876285, + "CG_CD1": 1.51545957207773, + "CB_CG": 1.52674004416962, + "CB_CG_CD2": 107.810440232582, + "CB_CG_CD1": 109.945170762534, + "CA_CB_CG": 117.023214382074 } }, { "pk": 14, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.5504490793119, - "CD1_CG_CD2": 110.650362573789, - "CG_CD1": 1.53942241936277, - "CB_CG": 1.55098819540328, - "CB_CG_CD2": 109.198000122047, - "CB_CG_CD1": 111.720503483353, - "CA_CB_CG": 118.185780726059 + "CG_CD2": 1.52377510940678, + "CD1_CG_CD2": 109.052921807232, + "CG_CD1": 1.48207491662187, + "CB_CG": 1.51335126683316, + "CB_CG_CD2": 107.237623528621, + "CB_CG_CD1": 111.375670169729, + "CA_CB_CG": 116.650076289813 } }, { @@ -28277,6 +23635,19 @@ { "pk": 16, "model": "pgd_core.sidechain_leu", + "fields": { + "CG_CD2": 1.52553616443253, + "CD1_CG_CD2": 110.521310638085, + "CG_CD1": 1.53551833444405, + "CB_CG": 1.53434849000312, + "CB_CG_CD2": 110.108214620893, + "CB_CG_CD1": 111.324330379169, + "CA_CB_CG": 115.375108658512 + } +}, +{ + "pk": 17, + "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53229647552098, "CD1_CG_CD2": 110.007501318168, @@ -28287,173 +23658,160 @@ "CA_CB_CG": 109.485955021806 } }, -{ - "pk": 17, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.48691662226734, - "CD1_CG_CD2": 113.526587596406, - "CG_CD1": 1.48910973088838, - "CB_CG": 1.54960703457948, - "CB_CG_CD2": 107.742791755671, - "CB_CG_CD1": 115.013827889365, - "CA_CB_CG": 123.929020714363 - } -}, { "pk": 18, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.50504337264825, - "CD1_CG_CD2": 111.510082541861, - "CG_CD1": 1.53413261684938, - "CB_CG": 1.50578997752908, - "CB_CG_CD2": 112.644891843456, - "CB_CG_CD1": 107.022951303559, - "CA_CB_CG": 120.468918504201 + "CG_CD2": 1.53124301639287, + "CD1_CG_CD2": 111.782146442613, + "CG_CD1": 1.51338861550864, + "CB_CG": 1.52513436600777, + "CB_CG_CD2": 108.277339456954, + "CB_CG_CD1": 111.855779652338, + "CA_CB_CG": 115.118110989285 } }, { "pk": 19, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.58380132885573, - "CD1_CG_CD2": 112.423002524137, - "CG_CD1": 1.57337062340163, - "CB_CG": 1.5423664372625, - "CB_CG_CD2": 108.253405626475, - "CB_CG_CD1": 111.344323742259, - "CA_CB_CG": 113.73096281914 + "CG_CD2": 1.5083249202042, + "CD1_CG_CD2": 112.685362997395, + "CG_CD1": 1.51284725800769, + "CB_CG": 1.52283478884773, + "CB_CG_CD2": 109.086889133532, + "CB_CG_CD1": 108.962773608036, + "CA_CB_CG": 114.345222099909 } }, { "pk": 20, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53631736104913, - "CD1_CG_CD2": 109.170522941567, - "CG_CD1": 1.5202828749367, - "CB_CG": 1.55560939289169, - "CB_CG_CD2": 111.381024890079, - "CB_CG_CD1": 109.573831025453, - "CA_CB_CG": 116.477642697932 + "CG_CD2": 1.53516472455238, + "CD1_CG_CD2": 110.451218499629, + "CG_CD1": 1.54943736767323, + "CB_CG": 1.52020072394266, + "CB_CG_CD2": 113.657091672976, + "CB_CG_CD1": 108.922499832161, + "CA_CB_CG": 117.897031600361 } }, { "pk": 21, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.52496168102012, - "CD1_CG_CD2": 111.2192608587, - "CG_CD1": 1.51263940132389, - "CB_CG": 1.52491343582899, - "CB_CG_CD2": 109.091021403356, - "CB_CG_CD1": 109.23292365465, - "CA_CB_CG": 118.064852091122 + "CG_CD2": 1.55272500639797, + "CD1_CG_CD2": 112.7955281714, + "CG_CD1": 1.56718577307146, + "CB_CG": 1.53567524013966, + "CB_CG_CD2": 111.847953296728, + "CB_CG_CD1": 112.550838315123, + "CA_CB_CG": 112.901109326886 } }, { "pk": 22, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.5194445622417, - "CD1_CG_CD2": 110.034365906877, - "CG_CD1": 1.53457868613362, - "CB_CG": 1.54540893891675, - "CB_CG_CD2": 111.250619529537, - "CB_CG_CD1": 112.726764896434, - "CA_CB_CG": 117.063041041698 + "CG_CD2": 1.54598824080871, + "CD1_CG_CD2": 111.436272183175, + "CG_CD1": 1.55805182934474, + "CB_CG": 1.52387129138838, + "CB_CG_CD2": 110.79645376412, + "CB_CG_CD1": 112.699559214386, + "CA_CB_CG": 113.187910883346 } }, { "pk": 23, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53693619381932, - "CD1_CG_CD2": 109.95564147425, - "CG_CD1": 1.51326383041485, - "CB_CG": 1.53525195014222, - "CB_CG_CD2": 111.173905448584, - "CB_CG_CD1": 108.897595616793, - "CA_CB_CG": 118.914903122922 + "CG_CD2": 1.53786916484113, + "CD1_CG_CD2": 108.916073614624, + "CG_CD1": 1.54087677115136, + "CB_CG": 1.51966585584068, + "CB_CG_CD2": 109.422537322197, + "CB_CG_CD1": 113.27997646491, + "CA_CB_CG": 116.590210573934 } }, { "pk": 24, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.52377510940678, - "CD1_CG_CD2": 109.052921807232, - "CG_CD1": 1.48207491662187, - "CB_CG": 1.51335126683316, - "CB_CG_CD2": 107.237623528621, - "CB_CG_CD1": 111.375670169729, - "CA_CB_CG": 116.650076289813 + "CG_CD2": 1.48691662226734, + "CD1_CG_CD2": 113.526587596406, + "CG_CD1": 1.48910973088838, + "CB_CG": 1.54960703457948, + "CB_CG_CD2": 107.742791755671, + "CB_CG_CD1": 115.013827889365, + "CA_CB_CG": 123.929020714363 } }, { "pk": 25, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.52553616443253, - "CD1_CG_CD2": 110.521310638085, - "CG_CD1": 1.53551833444405, - "CB_CG": 1.53434849000312, - "CB_CG_CD2": 110.108214620893, - "CB_CG_CD1": 111.324330379169, - "CA_CB_CG": 115.375108658512 + "CG_CD2": 1.50504337264825, + "CD1_CG_CD2": 111.510082541861, + "CG_CD1": 1.53413261684938, + "CB_CG": 1.50578997752908, + "CB_CG_CD2": 112.644891843456, + "CB_CG_CD1": 107.022951303559, + "CA_CB_CG": 120.468918504201 } }, { "pk": 26, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.53516472455238, - "CD1_CG_CD2": 110.451218499629, - "CG_CD1": 1.54943736767323, - "CB_CG": 1.52020072394266, - "CB_CG_CD2": 113.657091672976, - "CB_CG_CD1": 108.922499832161, - "CA_CB_CG": 117.897031600361 + "CG_CD2": 1.49875540949701, + "CD1_CG_CD2": 110.386319318515, + "CG_CD1": 1.53170216835415, + "CB_CG": 1.53441373980803, + "CB_CG_CD2": 111.785454329106, + "CB_CG_CD1": 110.872541942439, + "CA_CB_CG": 115.850853355888 } }, { "pk": 27, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.55272500639797, - "CD1_CG_CD2": 112.7955281714, - "CG_CD1": 1.56718577307146, - "CB_CG": 1.53567524013966, - "CB_CG_CD2": 111.847953296728, - "CB_CG_CD1": 112.550838315123, - "CA_CB_CG": 112.901109326886 + "CG_CD2": 1.58380132885573, + "CD1_CG_CD2": 112.423002524137, + "CG_CD1": 1.57337062340163, + "CB_CG": 1.5423664372625, + "CB_CG_CD2": 108.253405626475, + "CB_CG_CD1": 111.344323742259, + "CA_CB_CG": 113.73096281914 } }, { "pk": 28, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.54598824080871, - "CD1_CG_CD2": 111.436272183175, - "CG_CD1": 1.55805182934474, - "CB_CG": 1.52387129138838, - "CB_CG_CD2": 110.79645376412, - "CB_CG_CD1": 112.699559214386, - "CA_CB_CG": 113.187910883346 + "CG_CD2": 1.53631736104913, + "CD1_CG_CD2": 109.170522941567, + "CG_CD1": 1.5202828749367, + "CB_CG": 1.55560939289169, + "CB_CG_CD2": 111.381024890079, + "CB_CG_CD1": 109.573831025453, + "CA_CB_CG": 116.477642697932 } }, { "pk": 29, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.49875540949701, - "CD1_CG_CD2": 110.386319318515, - "CG_CD1": 1.53170216835415, - "CB_CG": 1.53441373980803, - "CB_CG_CD2": 111.785454329106, - "CB_CG_CD1": 110.872541942439, - "CA_CB_CG": 115.850853355888 + "CG_CD2": 1.52496168102012, + "CD1_CG_CD2": 111.2192608587, + "CG_CD1": 1.51263940132389, + "CB_CG": 1.52491343582899, + "CB_CG_CD2": 109.091021403356, + "CB_CG_CD1": 109.23292365465, + "CA_CB_CG": 118.064852091122 } }, { @@ -28707,200 +24065,135 @@ "pk": 49, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.51531155982027, - "CD1_CG_CD2": 110.68949400038, - "CG_CD1": 1.52535607575375, - "CB_CG": 1.52755341853346, - "CB_CG_CD2": 111.878821161665, - "CB_CG_CD1": 109.87718479748, - "CA_CB_CG": 121.822931102022 + "CG_CD2": 1.5294864587102, + "CD1_CG_CD2": 111.400948901541, + "CG_CD1": 1.51059789341162, + "CB_CG": 1.51744240281298, + "CB_CG_CD2": 109.738839116296, + "CB_CG_CD1": 110.888564117054, + "CA_CB_CG": 112.148305276631 } }, { "pk": 50, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.55275289310411, - "CD1_CG_CD2": 110.813223982926, - "CG_CD1": 1.54388885390654, - "CB_CG": 1.52764904500601, - "CB_CG_CD2": 109.443058925836, - "CB_CG_CD1": 110.064289963198, - "CA_CB_CG": 121.772392032487 + "CG_CD2": 1.535763182117, + "CD1_CG_CD2": 110.95862290092, + "CG_CD1": 1.5361428963271, + "CB_CG": 1.52825861017183, + "CB_CG_CD2": 110.805524388894, + "CB_CG_CD1": 111.605475948503, + "CA_CB_CG": 114.183216321584 } }, { "pk": 51, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.55859594048112, - "CD1_CG_CD2": 110.854520741592, - "CG_CD1": 1.49885355789363, - "CB_CG": 1.53911931855027, - "CB_CG_CD2": 112.231429502494, - "CB_CG_CD1": 107.431541040318, - "CA_CB_CG": 119.61020235017 + "CG_CD2": 1.50676246944279, + "CD1_CG_CD2": 110.164716244663, + "CG_CD1": 1.5331400626272, + "CB_CG": 1.53108338574108, + "CB_CG_CD2": 108.750058860993, + "CB_CG_CD1": 111.336240953704, + "CA_CB_CG": 118.586589443862 } }, { "pk": 52, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.51897108552602, - "CD1_CG_CD2": 109.324028934102, - "CG_CD1": 1.53200842555838, - "CB_CG": 1.53702541380403, - "CB_CG_CD2": 115.116064538893, - "CB_CG_CD1": 110.754119874751, - "CA_CB_CG": 114.121772372987 + "CG_CD2": 1.51997278697967, + "CD1_CG_CD2": 111.720076074968, + "CG_CD1": 1.52841739319792, + "CB_CG": 1.52495198773746, + "CB_CG_CD2": 109.416362893758, + "CB_CG_CD1": 110.72766627648, + "CA_CB_CG": 114.590385684564 } }, { "pk": 53, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.52189032904818, - "CD1_CG_CD2": 110.555753261506, - "CG_CD1": 1.49474308498923, - "CB_CG": 1.52515249661346, - "CB_CG_CD2": 109.338089540166, - "CB_CG_CD1": 110.456410984892, - "CA_CB_CG": 114.239056789074 + "CG_CD2": 1.53206092831962, + "CD1_CG_CD2": 110.340104607935, + "CG_CD1": 1.53144567570559, + "CB_CG": 1.5245905088383, + "CB_CG_CD2": 109.164434770103, + "CB_CG_CD1": 110.252881899285, + "CA_CB_CG": 116.090235958898 } }, { "pk": 54, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.56689716025678, - "CD1_CG_CD2": 112.769305650939, - "CG_CD1": 1.50153639249908, - "CB_CG": 1.52418765476589, - "CB_CG_CD2": 111.783176217268, - "CB_CG_CD1": 113.410675262215, - "CA_CB_CG": 109.145299182991 + "CG_CD2": 1.52792430178999, + "CD1_CG_CD2": 110.624388178821, + "CG_CD1": 1.54516651314571, + "CB_CG": 1.52825470543166, + "CB_CG_CD2": 110.720052990483, + "CB_CG_CD1": 110.42750817889, + "CA_CB_CG": 113.538635015774 } }, { "pk": 55, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.548130073226, - "CD1_CG_CD2": 110.979647181317, - "CG_CD1": 1.55669120001081, - "CB_CG": 1.53409335523083, - "CB_CG_CD2": 111.617701109226, - "CB_CG_CD1": 110.333211849227, - "CA_CB_CG": 114.38730923771 + "CG_CD2": 1.5196447816161, + "CD1_CG_CD2": 110.635706345054, + "CG_CD1": 1.52542300216189, + "CB_CG": 1.53010417272184, + "CB_CG_CD2": 111.773542560155, + "CB_CG_CD1": 110.033158606854, + "CA_CB_CG": 112.499732483672 } }, { "pk": 56, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.50924950827834, - "CD1_CG_CD2": 110.816328434658, - "CG_CD1": 1.51664664000911, - "CB_CG": 1.53106954835657, - "CB_CG_CD2": 110.785899832836, - "CB_CG_CD1": 109.739985267748, - "CA_CB_CG": 118.86001642437 + "CG_CD2": 1.52752539853079, + "CD1_CG_CD2": 110.867198288934, + "CG_CD1": 1.50725282491118, + "CB_CG": 1.52094482155257, + "CB_CG_CD2": 107.243234640832, + "CB_CG_CD1": 110.088580430361, + "CA_CB_CG": 113.288367611398 } }, { "pk": 57, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.52264509289555, - "CD1_CG_CD2": 110.947378319361, - "CG_CD1": 1.50153919418173, - "CB_CG": 1.51827705544528, - "CB_CG_CD2": 110.847793063709, - "CB_CG_CD1": 112.414776173771, - "CA_CB_CG": 115.540374733787 + "CG_CD2": 1.51005237045423, + "CD1_CG_CD2": 108.881458720191, + "CG_CD1": 1.53478206124711, + "CB_CG": 1.5382233526073, + "CB_CG_CD2": 112.486973897505, + "CB_CG_CD1": 111.019847467534, + "CA_CB_CG": 115.67810324326 } }, { "pk": 58, "model": "pgd_core.sidechain_leu", "fields": { - "CG_CD2": 1.5146105009422, - "CD1_CG_CD2": 111.637007410447, - "CG_CD1": 1.53787587327763, - "CB_CG": 1.53312234104157, - "CB_CG_CD2": 110.242032231921, - "CB_CG_CD1": 110.761861768224, - "CA_CB_CG": 115.090163805307 + "CG_CD2": 1.50944596548345, + "CD1_CG_CD2": 111.313878759968, + "CG_CD1": 1.493974720965, + "CB_CG": 1.51952096213946, + "CB_CG_CD2": 108.948005117687, + "CB_CG_CD1": 110.986009688102, + "CA_CB_CG": 113.678830967997 } }, { "pk": 59, "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52989841753855, - "CD1_CG_CD2": 110.385047604104, - "CG_CD1": 1.52520335039397, - "CB_CG": 1.53903687089798, - "CB_CG_CD2": 109.868159746877, - "CB_CG_CD1": 111.13746609632, - "CA_CB_CG": 114.596656917457 - } -}, -{ - "pk": 60, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52789879547984, - "CD1_CG_CD2": 110.80749997153, - "CG_CD1": 1.52030443541235, - "CB_CG": 1.5250645248971, - "CB_CG_CD2": 110.905364437184, - "CB_CG_CD1": 110.562868723536, - "CA_CB_CG": 114.655665795944 - } -}, -{ - "pk": 61, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.49805730364683, - "CD1_CG_CD2": 113.611664785354, - "CG_CD1": 1.56737022671178, - "CB_CG": 1.51798829461928, - "CB_CG_CD2": 111.074947814799, - "CB_CG_CD1": 110.469842464102, - "CA_CB_CG": 120.613709558615 - } -}, -{ - "pk": 62, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52608507518793, - "CD1_CG_CD2": 110.069437109643, - "CG_CD1": 1.52273530803464, - "CB_CG": 1.53125081158957, - "CB_CG_CD2": 109.300043936046, - "CB_CG_CD1": 111.820304692728, - "CA_CB_CG": 115.716130925288 - } -}, -{ - "pk": 63, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51305820505556, - "CD1_CG_CD2": 111.759499697047, - "CG_CD1": 1.53372615374003, - "CB_CG": 1.50800685491488, - "CB_CG_CD2": 107.302305168837, - "CB_CG_CD1": 110.57788791421, - "CA_CB_CG": 117.507591172575 - } -}, -{ - "pk": 64, - "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51771626563778, "CD1_CG_CD2": 110.638526476826, @@ -28912,20 +24205,7 @@ } }, { - "pk": 65, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.54608439678514, - "CD1_CG_CD2": 111.973112808279, - "CG_CD1": 1.50884437552184, - "CB_CG": 1.52926768159201, - "CB_CG_CD2": 112.849425222002, - "CB_CG_CD1": 108.561502794007, - "CA_CB_CG": 113.740345934916 - } -}, -{ - "pk": 66, + "pk": 60, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5179122222593, @@ -28938,33 +24218,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53227117815185, - "CD1_CG_CD2": 110.349860267671, - "CG_CD1": 1.52722981375971, - "CB_CG": 1.52432348589444, - "CB_CG_CD2": 110.559685250534, - "CB_CG_CD1": 110.567835053676, - "CA_CB_CG": 115.308545086216 - } -}, -{ - "pk": 68, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.57745928104117, - "CD1_CG_CD2": 111.99492263265, - "CG_CD1": 1.52450962499034, - "CB_CG": 1.50377725418815, - "CB_CG_CD2": 107.374583763749, - "CB_CG_CD1": 109.203973901214, - "CA_CB_CG": 112.562901284757 - } -}, -{ - "pk": 69, + "pk": 61, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50636623637278, @@ -28977,20 +24231,7 @@ } }, { - "pk": 70, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50472428108029, - "CD1_CG_CD2": 110.993135704866, - "CG_CD1": 1.53004387427992, - "CB_CG": 1.52877381268894, - "CB_CG_CD2": 107.494292373168, - "CB_CG_CD1": 110.946975933941, - "CA_CB_CG": 115.995193655201 - } -}, -{ - "pk": 71, + "pk": 62, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50962118003716, @@ -29003,7 +24244,7 @@ } }, { - "pk": 72, + "pk": 63, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52051845926225, @@ -29016,7 +24257,7 @@ } }, { - "pk": 73, + "pk": 64, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.521323773056, @@ -29029,33 +24270,7 @@ } }, { - "pk": 74, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.5294358157783, - "CD1_CG_CD2": 110.843111748286, - "CG_CD1": 1.54079282005419, - "CB_CG": 1.53053295503144, - "CB_CG_CD2": 109.362559684526, - "CB_CG_CD1": 112.312095610409, - "CA_CB_CG": 115.728651083329 - } -}, -{ - "pk": 75, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.49591694821321, - "CD1_CG_CD2": 109.100294886983, - "CG_CD1": 1.51817600341046, - "CB_CG": 1.53259706780854, - "CB_CG_CD2": 108.880809032996, - "CB_CG_CD1": 112.569420344987, - "CA_CB_CG": 114.745369187112 - } -}, -{ - "pk": 76, + "pk": 65, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51982452847907, @@ -29068,7 +24283,7 @@ } }, { - "pk": 77, + "pk": 66, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50677089439627, @@ -29081,7 +24296,7 @@ } }, { - "pk": 78, + "pk": 67, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51711855803027, @@ -29094,20 +24309,7 @@ } }, { - "pk": 79, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52349585466956, - "CD1_CG_CD2": 111.496434547957, - "CG_CD1": 1.52441489577309, - "CB_CG": 1.50997215319914, - "CB_CG_CD2": 105.619790761465, - "CB_CG_CD1": 112.344720782367, - "CA_CB_CG": 118.146773158169 - } -}, -{ - "pk": 80, + "pk": 68, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52167092087049, @@ -29120,20 +24322,7 @@ } }, { - "pk": 81, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52877495758472, - "CD1_CG_CD2": 109.522888409822, - "CG_CD1": 1.50466346652248, - "CB_CG": 1.51727080941673, - "CB_CG_CD2": 111.759186986917, - "CB_CG_CD1": 108.301896937946, - "CA_CB_CG": 112.054436453763 - } -}, -{ - "pk": 82, + "pk": 69, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53073436751221, @@ -29146,7 +24335,7 @@ } }, { - "pk": 83, + "pk": 70, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51398075836583, @@ -29159,7 +24348,7 @@ } }, { - "pk": 84, + "pk": 71, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51684246615187, @@ -29172,46 +24361,7 @@ } }, { - "pk": 85, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53184523778987, - "CD1_CG_CD2": 111.844122395291, - "CG_CD1": 1.54547946052786, - "CB_CG": 1.5379744824148, - "CB_CG_CD2": 109.048609707599, - "CB_CG_CD1": 110.243850690748, - "CA_CB_CG": 115.689857373348 - } -}, -{ - "pk": 86, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52247411223471, - "CD1_CG_CD2": 110.435226547484, - "CG_CD1": 1.51168439976947, - "CB_CG": 1.53059000417475, - "CB_CG_CD2": 112.81604116189, - "CB_CG_CD1": 109.235507870356, - "CA_CB_CG": 116.896571195381 - } -}, -{ - "pk": 87, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50663234215269, - "CD1_CG_CD2": 110.558953446439, - "CG_CD1": 1.51439598010914, - "CB_CG": 1.53149501051745, - "CB_CG_CD2": 109.562491704047, - "CB_CG_CD1": 107.1266252905, - "CA_CB_CG": 114.542742629996 - } -}, -{ - "pk": 88, + "pk": 72, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51569875856551, @@ -29224,7 +24374,7 @@ } }, { - "pk": 89, + "pk": 73, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52615051251324, @@ -29237,46 +24387,7 @@ } }, { - "pk": 90, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.57329838376342, - "CD1_CG_CD2": 111.43681593127, - "CG_CD1": 1.52329427310756, - "CB_CG": 1.54320614862552, - "CB_CG_CD2": 112.22570122833, - "CB_CG_CD1": 109.741971495586, - "CA_CB_CG": 116.932395164635 - } -}, -{ - "pk": 91, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.54919944488972, - "CD1_CG_CD2": 109.987864206741, - "CG_CD1": 1.57671615289599, - "CB_CG": 1.54324154356608, - "CB_CG_CD2": 112.961205703089, - "CB_CG_CD1": 112.121263514634, - "CA_CB_CG": 114.120586663226 - } -}, -{ - "pk": 92, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51706339362631, - "CD1_CG_CD2": 109.969869968093, - "CG_CD1": 1.50754216529246, - "CB_CG": 1.54832037888364, - "CB_CG_CD2": 112.155083899914, - "CB_CG_CD1": 111.773724542926, - "CA_CB_CG": 114.836868340106 - } -}, -{ - "pk": 93, + "pk": 74, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52077822323143, @@ -29289,7 +24400,7 @@ } }, { - "pk": 94, + "pk": 75, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51965627303535, @@ -29302,20 +24413,7 @@ } }, { - "pk": 95, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53049478756282, - "CD1_CG_CD2": 109.626759529209, - "CG_CD1": 1.53991376801049, - "CB_CG": 1.53377020424478, - "CB_CG_CD2": 110.325280051452, - "CB_CG_CD1": 112.540081219379, - "CA_CB_CG": 118.538874224837 - } -}, -{ - "pk": 96, + "pk": 76, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51204714172404, @@ -29328,7 +24426,7 @@ } }, { - "pk": 97, + "pk": 77, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51681602369806, @@ -29341,7 +24439,7 @@ } }, { - "pk": 98, + "pk": 78, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50394305259364, @@ -29354,7 +24452,7 @@ } }, { - "pk": 99, + "pk": 79, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52008183929575, @@ -29367,20 +24465,7 @@ } }, { - "pk": 100, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.550153317364, - "CD1_CG_CD2": 111.766312715164, - "CG_CD1": 1.540544057638, - "CB_CG": 1.52430015838204, - "CB_CG_CD2": 111.756579774666, - "CB_CG_CD1": 109.317784843892, - "CA_CB_CG": 115.621415032123 - } -}, -{ - "pk": 101, + "pk": 80, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52130234581977, @@ -29393,7 +24478,7 @@ } }, { - "pk": 102, + "pk": 81, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51758025850629, @@ -29406,20 +24491,7 @@ } }, { - "pk": 103, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.4954986367789, - "CD1_CG_CD2": 110.19545747282, - "CG_CD1": 1.51865510925517, - "CB_CG": 1.53550646004145, - "CB_CG_CD2": 111.366569015089, - "CB_CG_CD1": 111.732304942377, - "CA_CB_CG": 116.194043591749 - } -}, -{ - "pk": 104, + "pk": 82, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52032184442151, @@ -29432,7 +24504,7 @@ } }, { - "pk": 105, + "pk": 83, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51397650340963, @@ -29445,7 +24517,7 @@ } }, { - "pk": 106, + "pk": 84, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51723309905216, @@ -29458,33 +24530,7 @@ } }, { - "pk": 107, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53141918636154, - "CD1_CG_CD2": 110.402543734576, - "CG_CD1": 1.53461730243066, - "CB_CG": 1.53457557468282, - "CB_CG_CD2": 112.482073472973, - "CB_CG_CD1": 109.727078572751, - "CA_CB_CG": 117.481035628528 - } -}, -{ - "pk": 108, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50672280385596, - "CD1_CG_CD2": 110.670123251359, - "CG_CD1": 1.54502342661871, - "CB_CG": 1.53425593393451, - "CB_CG_CD2": 111.526195249069, - "CB_CG_CD1": 109.976610015845, - "CA_CB_CG": 123.053968747462 - } -}, -{ - "pk": 109, + "pk": 85, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51445277550398, @@ -29497,7 +24543,7 @@ } }, { - "pk": 110, + "pk": 86, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53462221180042, @@ -29510,20 +24556,7 @@ } }, { - "pk": 111, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.49957974369995, - "CD1_CG_CD2": 110.868802084514, - "CG_CD1": 1.54741440970313, - "CB_CG": 1.5458376620759, - "CB_CG_CD2": 112.061310776258, - "CB_CG_CD1": 111.835649434218, - "CA_CB_CG": 118.009895353479 - } -}, -{ - "pk": 112, + "pk": 87, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52328479263737, @@ -29536,20 +24569,7 @@ } }, { - "pk": 113, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.536155924031, - "CD1_CG_CD2": 112.14169700569, - "CG_CD1": 1.54888054405857, - "CB_CG": 1.52059181720435, - "CB_CG_CD2": 108.438114472643, - "CB_CG_CD1": 108.612451696574, - "CA_CB_CG": 119.90213954276 - } -}, -{ - "pk": 114, + "pk": 88, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51755843491991, @@ -29562,7 +24582,7 @@ } }, { - "pk": 115, + "pk": 89, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52050865195577, @@ -29575,20 +24595,7 @@ } }, { - "pk": 116, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.5568071898379, - "CD1_CG_CD2": 109.997614191651, - "CG_CD1": 1.52432095877111, - "CB_CG": 1.55956605470614, - "CB_CG_CD2": 112.208828315788, - "CB_CG_CD1": 112.243448119153, - "CA_CB_CG": 116.126084089496 - } -}, -{ - "pk": 117, + "pk": 90, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51436213823907, @@ -29601,7 +24608,7 @@ } }, { - "pk": 118, + "pk": 91, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53458195606444, @@ -29614,7 +24621,7 @@ } }, { - "pk": 119, + "pk": 92, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51023253170065, @@ -29627,7 +24634,7 @@ } }, { - "pk": 120, + "pk": 93, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51639876139355, @@ -29640,7 +24647,7 @@ } }, { - "pk": 121, + "pk": 94, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49759896938626, @@ -29653,72 +24660,7 @@ } }, { - "pk": 122, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50236299845972, - "CD1_CG_CD2": 110.993330544276, - "CG_CD1": 1.59154186086895, - "CB_CG": 1.53278362447644, - "CB_CG_CD2": 110.45635314454, - "CB_CG_CD1": 112.139287782874, - "CA_CB_CG": 115.350102259113 - } -}, -{ - "pk": 123, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51316240688374, - "CD1_CG_CD2": 112.187782175641, - "CG_CD1": 1.50001226337469, - "CB_CG": 1.53159788406035, - "CB_CG_CD2": 110.809556278234, - "CB_CG_CD1": 108.816737621558, - "CA_CB_CG": 113.6771492321 - } -}, -{ - "pk": 124, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50424920480821, - "CD1_CG_CD2": 110.834957260697, - "CG_CD1": 1.54238394443704, - "CB_CG": 1.52227750010839, - "CB_CG_CD2": 112.044240301151, - "CB_CG_CD1": 107.895217711347, - "CA_CB_CG": 119.725151209017 - } -}, -{ - "pk": 125, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51751758184811, - "CD1_CG_CD2": 109.576592033858, - "CG_CD1": 1.51799488559674, - "CB_CG": 1.52513019634594, - "CB_CG_CD2": 108.374743983855, - "CB_CG_CD1": 110.697991432753, - "CA_CB_CG": 116.337937859988 - } -}, -{ - "pk": 126, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52445538237914, - "CD1_CG_CD2": 112.150636790597, - "CG_CD1": 1.5268934570414, - "CB_CG": 1.52422791223312, - "CB_CG_CD2": 110.457340193867, - "CB_CG_CD1": 109.913743100791, - "CA_CB_CG": 110.480175913913 - } -}, -{ - "pk": 127, + "pk": 95, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51755632009146, @@ -29731,20 +24673,7 @@ } }, { - "pk": 128, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51693914482792, - "CD1_CG_CD2": 109.146876591734, - "CG_CD1": 1.48540607455223, - "CB_CG": 1.53244515775584, - "CB_CG_CD2": 111.91057109913, - "CB_CG_CD1": 108.554233381187, - "CA_CB_CG": 113.221358535277 - } -}, -{ - "pk": 129, + "pk": 96, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51996178461156, @@ -29757,20 +24686,7 @@ } }, { - "pk": 130, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.54799011301305, - "CD1_CG_CD2": 109.338529813093, - "CG_CD1": 1.54305028322035, - "CB_CG": 1.53401894674761, - "CB_CG_CD2": 110.382724634176, - "CB_CG_CD1": 113.613002453714, - "CA_CB_CG": 121.178414008465 - } -}, -{ - "pk": 131, + "pk": 97, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52371861733262, @@ -29783,20 +24699,7 @@ } }, { - "pk": 132, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52049171197567, - "CD1_CG_CD2": 112.374471920922, - "CG_CD1": 1.53490383461843, - "CB_CG": 1.52403141282432, - "CB_CG_CD2": 108.648781552015, - "CB_CG_CD1": 108.703472550153, - "CA_CB_CG": 112.992357238203 - } -}, -{ - "pk": 133, + "pk": 98, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51304237895367, @@ -29809,20 +24712,7 @@ } }, { - "pk": 134, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.54807421474855, - "CD1_CG_CD2": 110.47261508101, - "CG_CD1": 1.53285331237486, - "CB_CG": 1.53376753540507, - "CB_CG_CD2": 110.339365861143, - "CB_CG_CD1": 109.476666557457, - "CA_CB_CG": 112.71320247819 - } -}, -{ - "pk": 135, + "pk": 99, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52120092623967, @@ -29835,7 +24725,7 @@ } }, { - "pk": 136, + "pk": 100, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51384813042496, @@ -29848,7 +24738,7 @@ } }, { - "pk": 137, + "pk": 101, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51723846532799, @@ -29861,7 +24751,7 @@ } }, { - "pk": 138, + "pk": 102, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52814715385399, @@ -29874,7 +24764,7 @@ } }, { - "pk": 139, + "pk": 103, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50007952963813, @@ -29887,7 +24777,7 @@ } }, { - "pk": 140, + "pk": 104, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52904360919833, @@ -29900,20 +24790,7 @@ } }, { - "pk": 141, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52348792983498, - "CD1_CG_CD2": 110.994744959005, - "CG_CD1": 1.53877162428325, - "CB_CG": 1.52561411676092, - "CB_CG_CD2": 109.122652679716, - "CB_CG_CD1": 111.953694189665, - "CA_CB_CG": 118.078784140056 - } -}, -{ - "pk": 142, + "pk": 105, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.54364533145124, @@ -29926,7 +24803,7 @@ } }, { - "pk": 143, + "pk": 106, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51926654923002, @@ -29939,20 +24816,7 @@ } }, { - "pk": 144, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.55298222519829, - "CD1_CG_CD2": 110.653014739262, - "CG_CD1": 1.5359576608366, - "CB_CG": 1.53641248798561, - "CB_CG_CD2": 112.784747977467, - "CB_CG_CD1": 107.839200367034, - "CA_CB_CG": 116.839989578168 - } -}, -{ - "pk": 145, + "pk": 107, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51177976864339, @@ -29965,7 +24829,7 @@ } }, { - "pk": 146, + "pk": 108, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52399174931104, @@ -29978,7 +24842,7 @@ } }, { - "pk": 147, + "pk": 109, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53222317521254, @@ -29991,7 +24855,7 @@ } }, { - "pk": 148, + "pk": 110, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52898277051159, @@ -30004,7 +24868,7 @@ } }, { - "pk": 149, + "pk": 111, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52704916916788, @@ -30017,7 +24881,7 @@ } }, { - "pk": 150, + "pk": 112, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50855679630534, @@ -30030,7 +24894,7 @@ } }, { - "pk": 151, + "pk": 113, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5261891942586, @@ -30043,20 +24907,7 @@ } }, { - "pk": 152, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.56043083278395, - "CD1_CG_CD2": 109.737192859784, - "CG_CD1": 1.50343847499449, - "CB_CG": 1.52889889435683, - "CB_CG_CD2": 110.393971496209, - "CB_CG_CD1": 109.986487443539, - "CA_CB_CG": 112.781419453453 - } -}, -{ - "pk": 153, + "pk": 114, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50741378258123, @@ -30069,7 +24920,7 @@ } }, { - "pk": 154, + "pk": 115, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52123453300451, @@ -30082,20 +24933,7 @@ } }, { - "pk": 155, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53006098979317, - "CD1_CG_CD2": 111.907796876979, - "CG_CD1": 1.54021876991713, - "CB_CG": 1.52624658504421, - "CB_CG_CD2": 108.910469237598, - "CB_CG_CD1": 110.32567344098, - "CA_CB_CG": 114.340007876783 - } -}, -{ - "pk": 156, + "pk": 116, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5285127189831, @@ -30108,33 +24946,7 @@ } }, { - "pk": 157, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53485293362798, - "CD1_CG_CD2": 110.941462026138, - "CG_CD1": 1.52606911589026, - "CB_CG": 1.53112423133671, - "CB_CG_CD2": 109.282043718967, - "CB_CG_CD1": 110.281381659398, - "CA_CB_CG": 117.046445813057 - } -}, -{ - "pk": 158, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52589387263684, - "CD1_CG_CD2": 110.993057167424, - "CG_CD1": 1.52939778524673, - "CB_CG": 1.53182269051974, - "CB_CG_CD2": 110.090712464398, - "CB_CG_CD1": 109.890747078624, - "CA_CB_CG": 114.471202381329 - } -}, -{ - "pk": 159, + "pk": 117, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52211139170336, @@ -30147,7 +24959,7 @@ } }, { - "pk": 160, + "pk": 118, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50423809646722, @@ -30160,20 +24972,7 @@ } }, { - "pk": 161, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.49369059920267, - "CD1_CG_CD2": 111.223447789339, - "CG_CD1": 1.54055862720411, - "CB_CG": 1.53872771475296, - "CB_CG_CD2": 110.947957574546, - "CB_CG_CD1": 112.019427682285, - "CA_CB_CG": 111.532914435946 - } -}, -{ - "pk": 162, + "pk": 119, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50078390278643, @@ -30186,7 +24985,7 @@ } }, { - "pk": 163, + "pk": 120, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52493922211299, @@ -30199,59 +24998,7 @@ } }, { - "pk": 164, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.54691642514697, - "CD1_CG_CD2": 111.106323660287, - "CG_CD1": 1.50478875093371, - "CB_CG": 1.52850189049402, - "CB_CG_CD2": 110.29802165635, - "CB_CG_CD1": 111.266263925687, - "CA_CB_CG": 114.490516897663 - } -}, -{ - "pk": 165, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53872408471287, - "CD1_CG_CD2": 111.44994835364, - "CG_CD1": 1.55813731706747, - "CB_CG": 1.55360065070085, - "CB_CG_CD2": 109.225402078673, - "CB_CG_CD1": 112.782439505273, - "CA_CB_CG": 113.489878815876 - } -}, -{ - "pk": 166, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.48105462784254, - "CD1_CG_CD2": 111.123200831929, - "CG_CD1": 1.52696332430402, - "CB_CG": 1.52866831048971, - "CB_CG_CD2": 113.586377074945, - "CB_CG_CD1": 109.384933048755, - "CA_CB_CG": 109.441536270383 - } -}, -{ - "pk": 167, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50737439712408, - "CD1_CG_CD2": 110.372412391895, - "CG_CD1": 1.54370740043234, - "CB_CG": 1.53296722046135, - "CB_CG_CD2": 110.164405521109, - "CB_CG_CD1": 109.546754526694, - "CA_CB_CG": 114.253350743993 - } -}, -{ - "pk": 168, + "pk": 121, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53178976348825, @@ -30264,20 +25011,7 @@ } }, { - "pk": 169, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.49862005793173, - "CD1_CG_CD2": 110.147308914251, - "CG_CD1": 1.51679299209944, - "CB_CG": 1.52603597052245, - "CB_CG_CD2": 108.555321137849, - "CB_CG_CD1": 110.21831062774, - "CA_CB_CG": 111.720801739071 - } -}, -{ - "pk": 170, + "pk": 122, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5233834887904, @@ -30290,20 +25024,7 @@ } }, { - "pk": 171, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.54030501710493, - "CD1_CG_CD2": 108.511090446979, - "CG_CD1": 1.5294990957758, - "CB_CG": 1.53418360444686, - "CB_CG_CD2": 113.500489789386, - "CB_CG_CD1": 111.880166959913, - "CA_CB_CG": 117.471595376092 - } -}, -{ - "pk": 172, + "pk": 123, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51240996758494, @@ -30316,7 +25037,7 @@ } }, { - "pk": 173, + "pk": 124, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51889867317202, @@ -30329,7 +25050,7 @@ } }, { - "pk": 174, + "pk": 125, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52700434202442, @@ -30342,7 +25063,7 @@ } }, { - "pk": 175, + "pk": 126, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49854394522431, @@ -30355,7 +25076,7 @@ } }, { - "pk": 176, + "pk": 127, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5305667990422, @@ -30368,7 +25089,7 @@ } }, { - "pk": 177, + "pk": 128, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51911268267121, @@ -30381,20 +25102,7 @@ } }, { - "pk": 178, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51454972278693, - "CD1_CG_CD2": 109.976864218442, - "CG_CD1": 1.55643972989858, - "CB_CG": 1.52557908927527, - "CB_CG_CD2": 108.5881812127, - "CB_CG_CD1": 112.852408200278, - "CA_CB_CG": 117.76849797146 - } -}, -{ - "pk": 179, + "pk": 129, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53437957210494, @@ -30407,7 +25115,7 @@ } }, { - "pk": 180, + "pk": 130, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49713504191983, @@ -30420,7 +25128,7 @@ } }, { - "pk": 181, + "pk": 131, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53396573259757, @@ -30433,20 +25141,7 @@ } }, { - "pk": 182, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.5294864587102, - "CD1_CG_CD2": 111.400948901541, - "CG_CD1": 1.51059789341162, - "CB_CG": 1.51744240281298, - "CB_CG_CD2": 109.738839116296, - "CB_CG_CD1": 110.888564117054, - "CA_CB_CG": 112.148305276631 - } -}, -{ - "pk": 183, + "pk": 132, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49775745493232, @@ -30459,20 +25154,7 @@ } }, { - "pk": 184, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.535763182117, - "CD1_CG_CD2": 110.95862290092, - "CG_CD1": 1.5361428963271, - "CB_CG": 1.52825861017183, - "CB_CG_CD2": 110.805524388894, - "CB_CG_CD1": 111.605475948503, - "CA_CB_CG": 114.183216321584 - } -}, -{ - "pk": 185, + "pk": 133, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.527740236106, @@ -30485,7 +25167,7 @@ } }, { - "pk": 186, + "pk": 134, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51485500110899, @@ -30498,20 +25180,7 @@ } }, { - "pk": 187, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50676246944279, - "CD1_CG_CD2": 110.164716244663, - "CG_CD1": 1.5331400626272, - "CB_CG": 1.53108338574108, - "CB_CG_CD2": 108.750058860993, - "CB_CG_CD1": 111.336240953704, - "CA_CB_CG": 118.586589443862 - } -}, -{ - "pk": 188, + "pk": 135, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52499905945857, @@ -30524,20 +25193,7 @@ } }, { - "pk": 189, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51997278697967, - "CD1_CG_CD2": 111.720076074968, - "CG_CD1": 1.52841739319792, - "CB_CG": 1.52495198773746, - "CB_CG_CD2": 109.416362893758, - "CB_CG_CD1": 110.72766627648, - "CA_CB_CG": 114.590385684564 - } -}, -{ - "pk": 190, + "pk": 136, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51374848606446, @@ -30550,20 +25206,7 @@ } }, { - "pk": 191, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.53206092831962, - "CD1_CG_CD2": 110.340104607935, - "CG_CD1": 1.53144567570559, - "CB_CG": 1.5245905088383, - "CB_CG_CD2": 109.164434770103, - "CB_CG_CD1": 110.252881899285, - "CA_CB_CG": 116.090235958898 - } -}, -{ - "pk": 192, + "pk": 137, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52070074529915, @@ -30576,7 +25219,7 @@ } }, { - "pk": 193, + "pk": 138, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.4994666865803, @@ -30589,20 +25232,7 @@ } }, { - "pk": 194, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52792430178999, - "CD1_CG_CD2": 110.624388178821, - "CG_CD1": 1.54516651314571, - "CB_CG": 1.52825470543166, - "CB_CG_CD2": 110.720052990483, - "CB_CG_CD1": 110.42750817889, - "CA_CB_CG": 113.538635015774 - } -}, -{ - "pk": 195, + "pk": 139, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49546604260855, @@ -30615,7 +25245,7 @@ } }, { - "pk": 196, + "pk": 140, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50862617165061, @@ -30628,7 +25258,7 @@ } }, { - "pk": 197, + "pk": 141, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51534149836959, @@ -30641,20 +25271,7 @@ } }, { - "pk": 198, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.5196447816161, - "CD1_CG_CD2": 110.635706345054, - "CG_CD1": 1.52542300216189, - "CB_CG": 1.53010417272184, - "CB_CG_CD2": 111.773542560155, - "CB_CG_CD1": 110.033158606854, - "CA_CB_CG": 112.499732483672 - } -}, -{ - "pk": 199, + "pk": 142, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50735052241516, @@ -30667,7 +25284,7 @@ } }, { - "pk": 200, + "pk": 143, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51954479930881, @@ -30680,7 +25297,7 @@ } }, { - "pk": 201, + "pk": 144, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52240945154041, @@ -30693,7 +25310,7 @@ } }, { - "pk": 202, + "pk": 145, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51977182818765, @@ -30706,7 +25323,7 @@ } }, { - "pk": 203, + "pk": 146, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5215599224516, @@ -30719,20 +25336,7 @@ } }, { - "pk": 204, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.52752539853079, - "CD1_CG_CD2": 110.867198288934, - "CG_CD1": 1.50725282491118, - "CB_CG": 1.52094482155257, - "CB_CG_CD2": 107.243234640832, - "CB_CG_CD1": 110.088580430361, - "CA_CB_CG": 113.288367611398 - } -}, -{ - "pk": 205, + "pk": 147, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53951819495321, @@ -30745,20 +25349,7 @@ } }, { - "pk": 206, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.51005237045423, - "CD1_CG_CD2": 108.881458720191, - "CG_CD1": 1.53478206124711, - "CB_CG": 1.5382233526073, - "CB_CG_CD2": 112.486973897505, - "CB_CG_CD1": 111.019847467534, - "CA_CB_CG": 115.67810324326 - } -}, -{ - "pk": 207, + "pk": 148, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51518062841182, @@ -30771,20 +25362,7 @@ } }, { - "pk": 208, - "model": "pgd_core.sidechain_leu", - "fields": { - "CG_CD2": 1.50944596548345, - "CD1_CG_CD2": 111.313878759968, - "CG_CD1": 1.493974720965, - "CB_CG": 1.51952096213946, - "CB_CG_CD2": 108.948005117687, - "CB_CG_CD1": 110.986009688102, - "CA_CB_CG": 113.678830967997 - } -}, -{ - "pk": 209, + "pk": 149, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52613862551017, @@ -30797,7 +25375,7 @@ } }, { - "pk": 210, + "pk": 150, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52503406552826, @@ -30810,7 +25388,7 @@ } }, { - "pk": 211, + "pk": 151, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49744460164046, @@ -30823,7 +25401,7 @@ } }, { - "pk": 212, + "pk": 152, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.54176231526427, @@ -30836,7 +25414,7 @@ } }, { - "pk": 213, + "pk": 153, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50160111842032, @@ -30849,7 +25427,7 @@ } }, { - "pk": 214, + "pk": 154, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52340489657907, @@ -30862,7 +25440,7 @@ } }, { - "pk": 215, + "pk": 155, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50017225477483, @@ -30875,7 +25453,7 @@ } }, { - "pk": 216, + "pk": 156, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5204026533501, @@ -30888,7 +25466,7 @@ } }, { - "pk": 217, + "pk": 157, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51965856468867, @@ -30901,7 +25479,7 @@ } }, { - "pk": 218, + "pk": 158, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52218509085061, @@ -30914,7 +25492,7 @@ } }, { - "pk": 219, + "pk": 159, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51278973897128, @@ -30927,7 +25505,7 @@ } }, { - "pk": 220, + "pk": 160, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51540880134177, @@ -30940,7 +25518,7 @@ } }, { - "pk": 221, + "pk": 161, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52079032392761, @@ -30953,7 +25531,7 @@ } }, { - "pk": 222, + "pk": 162, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51981197080002, @@ -30966,7 +25544,7 @@ } }, { - "pk": 223, + "pk": 163, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51913642983282, @@ -30979,7 +25557,7 @@ } }, { - "pk": 224, + "pk": 164, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52762622693793, @@ -30992,7 +25570,7 @@ } }, { - "pk": 225, + "pk": 165, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52127391274533, @@ -31005,7 +25583,7 @@ } }, { - "pk": 226, + "pk": 166, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51379857482861, @@ -31018,7 +25596,7 @@ } }, { - "pk": 227, + "pk": 167, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53361177044622, @@ -31031,7 +25609,7 @@ } }, { - "pk": 228, + "pk": 168, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5292208432178, @@ -31044,7 +25622,7 @@ } }, { - "pk": 229, + "pk": 169, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52176557341256, @@ -31057,7 +25635,7 @@ } }, { - "pk": 230, + "pk": 170, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50871395990202, @@ -31070,7 +25648,7 @@ } }, { - "pk": 231, + "pk": 171, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52833893769542, @@ -31083,7 +25661,7 @@ } }, { - "pk": 232, + "pk": 172, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52567984806561, @@ -31096,7 +25674,7 @@ } }, { - "pk": 233, + "pk": 173, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52115931502426, @@ -31109,7 +25687,7 @@ } }, { - "pk": 234, + "pk": 174, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50049488865302, @@ -31122,7 +25700,7 @@ } }, { - "pk": 235, + "pk": 175, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53788966367614, @@ -31135,7 +25713,7 @@ } }, { - "pk": 236, + "pk": 176, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49039975679934, @@ -31148,7 +25726,7 @@ } }, { - "pk": 237, + "pk": 177, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52226783891447, @@ -31161,7 +25739,7 @@ } }, { - "pk": 238, + "pk": 178, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53279561258523, @@ -31174,7 +25752,7 @@ } }, { - "pk": 239, + "pk": 179, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51526353326884, @@ -31187,7 +25765,7 @@ } }, { - "pk": 240, + "pk": 180, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53177383463748, @@ -31200,7 +25778,7 @@ } }, { - "pk": 241, + "pk": 181, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5203367048349, @@ -31213,7 +25791,7 @@ } }, { - "pk": 242, + "pk": 182, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52351634772147, @@ -31226,7 +25804,7 @@ } }, { - "pk": 243, + "pk": 183, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51334674223572, @@ -31239,7 +25817,7 @@ } }, { - "pk": 244, + "pk": 184, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52653149407566, @@ -31252,7 +25830,7 @@ } }, { - "pk": 245, + "pk": 185, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50334133433044, @@ -31265,7 +25843,7 @@ } }, { - "pk": 246, + "pk": 186, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51870269349748, @@ -31278,7 +25856,7 @@ } }, { - "pk": 247, + "pk": 187, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52972842578779, @@ -31291,7 +25869,7 @@ } }, { - "pk": 248, + "pk": 188, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52914239068913, @@ -31304,7 +25882,7 @@ } }, { - "pk": 249, + "pk": 189, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49327593535506, @@ -31317,7 +25895,7 @@ } }, { - "pk": 250, + "pk": 190, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52406652675533, @@ -31330,7 +25908,7 @@ } }, { - "pk": 251, + "pk": 191, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52142609014835, @@ -31343,7 +25921,7 @@ } }, { - "pk": 252, + "pk": 192, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52404770025215, @@ -31356,7 +25934,7 @@ } }, { - "pk": 253, + "pk": 193, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51077707720764, @@ -31369,7 +25947,7 @@ } }, { - "pk": 254, + "pk": 194, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53084719329332, @@ -31382,7 +25960,7 @@ } }, { - "pk": 255, + "pk": 195, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52069821688508, @@ -31395,7 +25973,7 @@ } }, { - "pk": 256, + "pk": 196, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51755965851344, @@ -31408,7 +25986,7 @@ } }, { - "pk": 257, + "pk": 197, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51578643148364, @@ -31421,7 +25999,7 @@ } }, { - "pk": 258, + "pk": 198, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53227528760596, @@ -31434,7 +26012,7 @@ } }, { - "pk": 259, + "pk": 199, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51756293381131, @@ -31447,7 +26025,7 @@ } }, { - "pk": 260, + "pk": 200, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52269180222703, @@ -31460,7 +26038,7 @@ } }, { - "pk": 261, + "pk": 201, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5222583514831, @@ -31473,7 +26051,7 @@ } }, { - "pk": 262, + "pk": 202, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52918965815762, @@ -31486,7 +26064,7 @@ } }, { - "pk": 263, + "pk": 203, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52504738921138, @@ -31499,7 +26077,7 @@ } }, { - "pk": 264, + "pk": 204, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52489306297988, @@ -31512,7 +26090,7 @@ } }, { - "pk": 265, + "pk": 205, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52089448425336, @@ -31525,7 +26103,7 @@ } }, { - "pk": 266, + "pk": 206, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52981125812107, @@ -31538,7 +26116,7 @@ } }, { - "pk": 267, + "pk": 207, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52058428655843, @@ -31551,7 +26129,7 @@ } }, { - "pk": 268, + "pk": 208, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53374596868847, @@ -31564,7 +26142,7 @@ } }, { - "pk": 269, + "pk": 209, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51141618838702, @@ -31577,7 +26155,7 @@ } }, { - "pk": 270, + "pk": 210, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53085504608055, @@ -31590,7 +26168,7 @@ } }, { - "pk": 271, + "pk": 211, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52464169292005, @@ -31603,7 +26181,7 @@ } }, { - "pk": 272, + "pk": 212, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51114080486344, @@ -31616,7 +26194,7 @@ } }, { - "pk": 273, + "pk": 213, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50712965238546, @@ -31629,7 +26207,7 @@ } }, { - "pk": 274, + "pk": 214, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51122907189218, @@ -31642,7 +26220,7 @@ } }, { - "pk": 275, + "pk": 215, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52194897794708, @@ -31655,7 +26233,7 @@ } }, { - "pk": 276, + "pk": 216, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51956037180444, @@ -31668,7 +26246,7 @@ } }, { - "pk": 277, + "pk": 217, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51348440943197, @@ -31681,7 +26259,7 @@ } }, { - "pk": 278, + "pk": 218, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.54800908609181, @@ -31694,7 +26272,7 @@ } }, { - "pk": 279, + "pk": 219, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5365545709288, @@ -31707,7 +26285,7 @@ } }, { - "pk": 280, + "pk": 220, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52272322839039, @@ -31720,7 +26298,7 @@ } }, { - "pk": 281, + "pk": 221, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52114821964596, @@ -31733,7 +26311,7 @@ } }, { - "pk": 282, + "pk": 222, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52194940840867, @@ -31746,7 +26324,7 @@ } }, { - "pk": 283, + "pk": 223, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51250340010967, @@ -31759,7 +26337,7 @@ } }, { - "pk": 284, + "pk": 224, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51421476030873, @@ -31772,7 +26350,7 @@ } }, { - "pk": 285, + "pk": 225, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51987989979312, @@ -31785,7 +26363,7 @@ } }, { - "pk": 286, + "pk": 226, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50867954317973, @@ -31798,7 +26376,7 @@ } }, { - "pk": 287, + "pk": 227, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52746313743016, @@ -31811,7 +26389,7 @@ } }, { - "pk": 288, + "pk": 228, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51572495231636, @@ -31824,7 +26402,7 @@ } }, { - "pk": 289, + "pk": 229, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51516400847916, @@ -31837,7 +26415,7 @@ } }, { - "pk": 290, + "pk": 230, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51526381308944, @@ -31850,7 +26428,7 @@ } }, { - "pk": 291, + "pk": 231, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52226747217563, @@ -31863,7 +26441,7 @@ } }, { - "pk": 292, + "pk": 232, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52218139203626, @@ -31876,7 +26454,7 @@ } }, { - "pk": 293, + "pk": 233, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53515284675425, @@ -31889,7 +26467,7 @@ } }, { - "pk": 294, + "pk": 234, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51084882783111, @@ -31902,7 +26480,7 @@ } }, { - "pk": 295, + "pk": 235, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53562786009243, @@ -31915,7 +26493,7 @@ } }, { - "pk": 296, + "pk": 236, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49992297402631, @@ -31928,7 +26506,7 @@ } }, { - "pk": 297, + "pk": 237, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53263500934729, @@ -31941,7 +26519,7 @@ } }, { - "pk": 298, + "pk": 238, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5157612830786, @@ -31954,7 +26532,7 @@ } }, { - "pk": 299, + "pk": 239, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53604528996838, @@ -31967,7 +26545,7 @@ } }, { - "pk": 300, + "pk": 240, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51291770448827, @@ -31980,7 +26558,7 @@ } }, { - "pk": 301, + "pk": 241, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51129587526917, @@ -31993,7 +26571,7 @@ } }, { - "pk": 302, + "pk": 242, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51845781184309, @@ -32006,7 +26584,7 @@ } }, { - "pk": 303, + "pk": 243, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51212581410513, @@ -32019,7 +26597,7 @@ } }, { - "pk": 304, + "pk": 244, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51674904469123, @@ -32032,7 +26610,7 @@ } }, { - "pk": 305, + "pk": 245, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50349142215317, @@ -32045,7 +26623,7 @@ } }, { - "pk": 306, + "pk": 246, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.54408990253087, @@ -32058,7 +26636,7 @@ } }, { - "pk": 307, + "pk": 247, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50482480888811, @@ -32071,7 +26649,7 @@ } }, { - "pk": 308, + "pk": 248, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53255405875405, @@ -32084,7 +26662,7 @@ } }, { - "pk": 309, + "pk": 249, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51444048256168, @@ -32097,7 +26675,7 @@ } }, { - "pk": 310, + "pk": 250, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52357813546311, @@ -32110,7 +26688,7 @@ } }, { - "pk": 311, + "pk": 251, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5197049274361, @@ -32123,7 +26701,7 @@ } }, { - "pk": 312, + "pk": 252, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51796079048373, @@ -32136,7 +26714,7 @@ } }, { - "pk": 313, + "pk": 253, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51197705688549, @@ -32149,7 +26727,7 @@ } }, { - "pk": 314, + "pk": 254, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5300357712251, @@ -32162,7 +26740,7 @@ } }, { - "pk": 315, + "pk": 255, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51811598065012, @@ -32175,7 +26753,7 @@ } }, { - "pk": 316, + "pk": 256, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51895109596329, @@ -32188,7 +26766,7 @@ } }, { - "pk": 317, + "pk": 257, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52051495552878, @@ -32201,7 +26779,7 @@ } }, { - "pk": 318, + "pk": 258, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52883600253916, @@ -32214,7 +26792,7 @@ } }, { - "pk": 319, + "pk": 259, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51084921920333, @@ -32227,7 +26805,7 @@ } }, { - "pk": 320, + "pk": 260, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.54503158209206, @@ -32240,7 +26818,7 @@ } }, { - "pk": 321, + "pk": 261, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52837157367363, @@ -32253,7 +26831,7 @@ } }, { - "pk": 322, + "pk": 262, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53751885366421, @@ -32266,7 +26844,7 @@ } }, { - "pk": 323, + "pk": 263, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.4909320225529, @@ -32279,7 +26857,7 @@ } }, { - "pk": 324, + "pk": 264, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.54310374983152, @@ -32292,7 +26870,7 @@ } }, { - "pk": 325, + "pk": 265, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53095465824423, @@ -32305,7 +26883,7 @@ } }, { - "pk": 326, + "pk": 266, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51012633704608, @@ -32318,7 +26896,7 @@ } }, { - "pk": 327, + "pk": 267, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50657592228685, @@ -32331,7 +26909,7 @@ } }, { - "pk": 328, + "pk": 268, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51959495284907, @@ -32344,7 +26922,7 @@ } }, { - "pk": 329, + "pk": 269, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51450446021258, @@ -32357,7 +26935,7 @@ } }, { - "pk": 330, + "pk": 270, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.49919088909103, @@ -32370,7 +26948,7 @@ } }, { - "pk": 331, + "pk": 271, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5247569032822, @@ -32383,7 +26961,7 @@ } }, { - "pk": 332, + "pk": 272, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52345009344769, @@ -32396,7 +26974,7 @@ } }, { - "pk": 333, + "pk": 273, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53255326659959, @@ -32409,7 +26987,7 @@ } }, { - "pk": 334, + "pk": 274, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52662842650076, @@ -32422,7 +27000,7 @@ } }, { - "pk": 335, + "pk": 275, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52515290578762, @@ -32435,7 +27013,7 @@ } }, { - "pk": 336, + "pk": 276, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50917602782688, @@ -32448,7 +27026,7 @@ } }, { - "pk": 337, + "pk": 277, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50911095439748, @@ -32461,7 +27039,7 @@ } }, { - "pk": 338, + "pk": 278, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52371474771058, @@ -32474,7 +27052,7 @@ } }, { - "pk": 339, + "pk": 279, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51287900354641, @@ -32487,7 +27065,7 @@ } }, { - "pk": 340, + "pk": 280, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53207165092174, @@ -32500,7 +27078,7 @@ } }, { - "pk": 341, + "pk": 281, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5231488696677, @@ -32513,7 +27091,7 @@ } }, { - "pk": 342, + "pk": 282, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51224960396713, @@ -32526,7 +27104,7 @@ } }, { - "pk": 343, + "pk": 283, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52173037376735, @@ -32539,7 +27117,7 @@ } }, { - "pk": 344, + "pk": 284, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52159189162245, @@ -32552,7 +27130,7 @@ } }, { - "pk": 345, + "pk": 285, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51695684333703, @@ -32565,7 +27143,7 @@ } }, { - "pk": 346, + "pk": 286, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5421351906077, @@ -32578,7 +27156,7 @@ } }, { - "pk": 347, + "pk": 287, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51491148556092, @@ -32591,7 +27169,7 @@ } }, { - "pk": 348, + "pk": 288, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50037874288539, @@ -32604,7 +27182,7 @@ } }, { - "pk": 349, + "pk": 289, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52700329120152, @@ -32617,7 +27195,7 @@ } }, { - "pk": 350, + "pk": 290, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51385940304649, @@ -32630,7 +27208,7 @@ } }, { - "pk": 351, + "pk": 291, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52119019034711, @@ -32643,7 +27221,7 @@ } }, { - "pk": 352, + "pk": 292, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51750214819043, @@ -32656,7 +27234,7 @@ } }, { - "pk": 353, + "pk": 293, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53152194843147, @@ -32669,7 +27247,7 @@ } }, { - "pk": 354, + "pk": 294, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52372826770666, @@ -32682,7 +27260,7 @@ } }, { - "pk": 355, + "pk": 295, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51089061377491, @@ -32695,7 +27273,7 @@ } }, { - "pk": 356, + "pk": 296, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52459872839555, @@ -32708,7 +27286,7 @@ } }, { - "pk": 357, + "pk": 297, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51734234114976, @@ -32721,7 +27299,7 @@ } }, { - "pk": 358, + "pk": 298, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53366395274725, @@ -32734,7 +27312,7 @@ } }, { - "pk": 359, + "pk": 299, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53597457680103, @@ -32747,7 +27325,7 @@ } }, { - "pk": 360, + "pk": 300, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52372270399498, @@ -32760,7 +27338,7 @@ } }, { - "pk": 361, + "pk": 301, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52504940261726, @@ -32773,7 +27351,7 @@ } }, { - "pk": 362, + "pk": 302, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51220385968704, @@ -32786,7 +27364,7 @@ } }, { - "pk": 363, + "pk": 303, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52882138737968, @@ -32799,7 +27377,7 @@ } }, { - "pk": 364, + "pk": 304, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52981524997982, @@ -32812,7 +27390,7 @@ } }, { - "pk": 365, + "pk": 305, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51166877812157, @@ -32825,7 +27403,7 @@ } }, { - "pk": 366, + "pk": 306, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52246678108094, @@ -32838,7 +27416,7 @@ } }, { - "pk": 367, + "pk": 307, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53966693483201, @@ -32851,7 +27429,7 @@ } }, { - "pk": 368, + "pk": 308, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51070251038815, @@ -32864,7 +27442,7 @@ } }, { - "pk": 369, + "pk": 309, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51505849450406, @@ -32877,7 +27455,7 @@ } }, { - "pk": 370, + "pk": 310, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52832064604794, @@ -32890,7 +27468,7 @@ } }, { - "pk": 371, + "pk": 311, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52014108709961, @@ -32903,7 +27481,7 @@ } }, { - "pk": 372, + "pk": 312, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51080275674642, @@ -32916,7 +27494,7 @@ } }, { - "pk": 373, + "pk": 313, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51606161218882, @@ -32929,7 +27507,7 @@ } }, { - "pk": 374, + "pk": 314, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53580479357034, @@ -32942,7 +27520,7 @@ } }, { - "pk": 375, + "pk": 315, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52571661957806, @@ -32955,7 +27533,7 @@ } }, { - "pk": 376, + "pk": 316, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51748885170376, @@ -32968,7 +27546,7 @@ } }, { - "pk": 377, + "pk": 317, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51718070993199, @@ -32981,7 +27559,7 @@ } }, { - "pk": 378, + "pk": 318, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51230558088834, @@ -32994,7 +27572,7 @@ } }, { - "pk": 379, + "pk": 319, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51674739825264, @@ -33007,7 +27585,7 @@ } }, { - "pk": 380, + "pk": 320, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52406680528246, @@ -33020,7 +27598,7 @@ } }, { - "pk": 381, + "pk": 321, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51287323467629, @@ -33033,7 +27611,7 @@ } }, { - "pk": 382, + "pk": 322, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52080944176606, @@ -33046,7 +27624,7 @@ } }, { - "pk": 383, + "pk": 323, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50150586314499, @@ -33059,7 +27637,7 @@ } }, { - "pk": 384, + "pk": 324, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51903959145052, @@ -33072,7 +27650,7 @@ } }, { - "pk": 385, + "pk": 325, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52241707360544, @@ -33085,7 +27663,7 @@ } }, { - "pk": 386, + "pk": 326, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51999111277716, @@ -33098,7 +27676,7 @@ } }, { - "pk": 387, + "pk": 327, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52309455819507, @@ -33111,7 +27689,7 @@ } }, { - "pk": 388, + "pk": 328, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51680120569109, @@ -33124,7 +27702,7 @@ } }, { - "pk": 389, + "pk": 329, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53140278625711, @@ -33137,7 +27715,7 @@ } }, { - "pk": 390, + "pk": 330, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52136824245327, @@ -33150,7 +27728,7 @@ } }, { - "pk": 391, + "pk": 331, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51249573076588, @@ -33163,7 +27741,7 @@ } }, { - "pk": 392, + "pk": 332, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51428315198379, @@ -33176,7 +27754,7 @@ } }, { - "pk": 393, + "pk": 333, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51918397095544, @@ -33189,7 +27767,7 @@ } }, { - "pk": 394, + "pk": 334, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5111374349953, @@ -33202,7 +27780,7 @@ } }, { - "pk": 395, + "pk": 335, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51367302587392, @@ -33215,7 +27793,7 @@ } }, { - "pk": 396, + "pk": 336, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52465627355583, @@ -33228,7 +27806,7 @@ } }, { - "pk": 397, + "pk": 337, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52172915332787, @@ -33241,7 +27819,7 @@ } }, { - "pk": 398, + "pk": 338, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52301417491488, @@ -33254,7 +27832,7 @@ } }, { - "pk": 399, + "pk": 339, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5166535550705, @@ -33267,7 +27845,7 @@ } }, { - "pk": 400, + "pk": 340, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51880668660485, @@ -33280,7 +27858,7 @@ } }, { - "pk": 401, + "pk": 341, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51796238098666, @@ -33293,7 +27871,7 @@ } }, { - "pk": 402, + "pk": 342, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52249766986728, @@ -33306,7 +27884,7 @@ } }, { - "pk": 403, + "pk": 343, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52427597095523, @@ -33319,7 +27897,7 @@ } }, { - "pk": 404, + "pk": 344, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52006641407486, @@ -33332,7 +27910,7 @@ } }, { - "pk": 405, + "pk": 345, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51701907514202, @@ -33345,7 +27923,7 @@ } }, { - "pk": 406, + "pk": 346, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51128723309779, @@ -33358,7 +27936,7 @@ } }, { - "pk": 407, + "pk": 347, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.515074242987, @@ -33371,7 +27949,7 @@ } }, { - "pk": 408, + "pk": 348, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52725645635146, @@ -33384,7 +27962,7 @@ } }, { - "pk": 409, + "pk": 349, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51577651630795, @@ -33397,7 +27975,7 @@ } }, { - "pk": 410, + "pk": 350, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52450660444088, @@ -33410,7 +27988,7 @@ } }, { - "pk": 411, + "pk": 351, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53055132498254, @@ -33423,7 +28001,7 @@ } }, { - "pk": 412, + "pk": 352, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.53506103712537, @@ -33436,7 +28014,7 @@ } }, { - "pk": 413, + "pk": 353, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51419740115183, @@ -33449,7 +28027,7 @@ } }, { - "pk": 414, + "pk": 354, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51738592183709, @@ -33462,7 +28040,7 @@ } }, { - "pk": 415, + "pk": 355, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51650648841441, @@ -33475,7 +28053,7 @@ } }, { - "pk": 416, + "pk": 356, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52037878261295, @@ -33488,7 +28066,7 @@ } }, { - "pk": 417, + "pk": 357, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5239422535663, @@ -33501,7 +28079,7 @@ } }, { - "pk": 418, + "pk": 358, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51670301394048, @@ -33514,7 +28092,7 @@ } }, { - "pk": 419, + "pk": 359, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52380314573513, @@ -33527,7 +28105,7 @@ } }, { - "pk": 420, + "pk": 360, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52902065614971, @@ -33540,7 +28118,7 @@ } }, { - "pk": 421, + "pk": 361, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51672273053253, @@ -33553,7 +28131,7 @@ } }, { - "pk": 422, + "pk": 362, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50141983906247, @@ -33566,7 +28144,7 @@ } }, { - "pk": 423, + "pk": 363, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52202564343286, @@ -33579,7 +28157,7 @@ } }, { - "pk": 424, + "pk": 364, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50903287470757, @@ -33592,7 +28170,7 @@ } }, { - "pk": 425, + "pk": 365, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51029941875977, @@ -33605,7 +28183,7 @@ } }, { - "pk": 426, + "pk": 366, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52790547433308, @@ -33618,7 +28196,7 @@ } }, { - "pk": 427, + "pk": 367, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52483930329571, @@ -33631,7 +28209,7 @@ } }, { - "pk": 428, + "pk": 368, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5224120289507, @@ -33644,7 +28222,7 @@ } }, { - "pk": 429, + "pk": 369, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.50627983585443, @@ -33657,7 +28235,7 @@ } }, { - "pk": 430, + "pk": 370, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.5310447122341, @@ -33670,7 +28248,7 @@ } }, { - "pk": 431, + "pk": 371, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52264677809871, @@ -33683,7 +28261,7 @@ } }, { - "pk": 432, + "pk": 372, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.52519916125069, @@ -33696,7 +28274,7 @@ } }, { - "pk": 433, + "pk": 373, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51545424577565, @@ -33709,7 +28287,7 @@ } }, { - "pk": 434, + "pk": 374, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51906967315115, @@ -33722,7 +28300,7 @@ } }, { - "pk": 435, + "pk": 375, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51731979333103, @@ -33735,7 +28313,7 @@ } }, { - "pk": 436, + "pk": 376, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.51044735768502, @@ -33748,7 +28326,7 @@ } }, { - "pk": 437, + "pk": 377, "model": "pgd_core.sidechain_leu", "fields": { "CG_CD2": 1.513094609234, @@ -33764,117 +28342,75 @@ "pk": 1, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.47214937646397, - "CE_NZ": 1.46475129240441, - "CG_CD_CE": 112.900292581589, - "CB_CG": 1.5037396279483, - "CA_CB_CG": 116.145611030355, - "CD_CE_NZ": 105.967359446395, - "CB_CG_CD": 111.402653825762, - "CG_CD": 1.54392064343977 + "CD_CE": 1.53865848014383, + "CE_NZ": 1.52194768747161, + "CG_CD_CE": 109.852689445612, + "CB_CG": 1.50101554329215, + "CA_CB_CG": 113.434125534534, + "CD_CE_NZ": 116.380009980247, + "CB_CG_CD": 111.83471013303, + "CG_CD": 1.53125288140272 } }, { "pk": 2, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.4889940301564, - "CE_NZ": 1.52405368507159, - "CG_CD_CE": 114.027978859676, - "CB_CG": 1.52049531679021, - "CA_CB_CG": 112.508409723588, - "CD_CE_NZ": 109.214365693212, - "CB_CG_CD": 113.674989537489, - "CG_CD": 1.50399862443093 + "CD_CE": 1.52611293121913, + "CE_NZ": 1.49667962179796, + "CG_CD_CE": 109.74929525144, + "CB_CG": 1.4716152261669, + "CA_CB_CG": 112.344683292223, + "CD_CE_NZ": 112.629172792823, + "CB_CG_CD": 109.424049523715, + "CG_CD": 1.53199106632174 } }, { "pk": 3, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.5122452261748, - "CE_NZ": 1.50592970112872, - "CG_CD_CE": 111.20044459553, - "CB_CG": 1.52899643665109, - "CA_CB_CG": 111.720237178675, - "CD_CE_NZ": 110.024049509127, - "CB_CG_CD": 110.597980132386, - "CG_CD": 1.52474115268752 + "CD_CE": 1.53750008316172, + "CE_NZ": 1.52788967190808, + "CG_CD_CE": 109.649183416084, + "CB_CG": 1.5198575489117, + "CA_CB_CG": 115.396421785092, + "CD_CE_NZ": 116.372602257301, + "CB_CG_CD": 111.577182348821, + "CG_CD": 1.52228258851797 } }, { "pk": 4, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.50388573341594, - "CE_NZ": 1.48629565818515, - "CG_CD_CE": 114.310039192431, - "CB_CG": 1.50428488021364, - "CA_CB_CG": 116.431441449132, - "CD_CE_NZ": 109.512382879362, - "CB_CG_CD": 111.504663983138, - "CG_CD": 1.52638083676284 + "CD_CE": 1.53945068213353, + "CE_NZ": 1.47238697022996, + "CG_CD_CE": 113.02511683452, + "CB_CG": 1.54441030283831, + "CA_CB_CG": 115.086327249897, + "CD_CE_NZ": 106.266160831216, + "CB_CG_CD": 110.945047235601, + "CG_CD": 1.51881420405765 } }, { "pk": 5, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.46093822445254, - "CE_NZ": 1.509230705124, - "CG_CD_CE": 114.424322719829, - "CB_CG": 1.50415307520235, - "CA_CB_CG": 113.386614275565, - "CD_CE_NZ": 106.227230584759, - "CB_CG_CD": 106.030951660156, - "CG_CD": 1.54873142697927 + "CD_CE": 1.47214937646397, + "CE_NZ": 1.46475129240441, + "CG_CD_CE": 112.900292581589, + "CB_CG": 1.5037396279483, + "CA_CB_CG": 116.145611030355, + "CD_CE_NZ": 105.967359446395, + "CB_CG_CD": 111.402653825762, + "CG_CD": 1.54392064343977 } }, { "pk": 6, "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51956171104892, - "CE_NZ": 1.49010707299485, - "CG_CD_CE": 113.208295554872, - "CB_CG": 1.51043246712314, - "CA_CB_CG": 112.841949928576, - "CD_CE_NZ": 113.721437082322, - "CB_CG_CD": 114.939451119045, - "CG_CD": 1.5065766852429 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53865848014383, - "CE_NZ": 1.52194768747161, - "CG_CD_CE": 109.852689445612, - "CB_CG": 1.50101554329215, - "CA_CB_CG": 113.434125534534, - "CD_CE_NZ": 116.380009980247, - "CB_CG_CD": 111.83471013303, - "CG_CD": 1.53125288140272 - } -}, -{ - "pk": 8, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52611293121913, - "CE_NZ": 1.49667962179796, - "CG_CD_CE": 109.74929525144, - "CB_CG": 1.4716152261669, - "CA_CB_CG": 112.344683292223, - "CD_CE_NZ": 112.629172792823, - "CB_CG_CD": 109.424049523715, - "CG_CD": 1.53199106632174 - } -}, -{ - "pk": 9, - "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.54182470570752, "CE_NZ": 1.50386484882279, @@ -33887,7 +28423,21 @@ } }, { - "pk": 10, + "pk": 7, + "model": "pgd_core.sidechain_lys", + "fields": { + "CD_CE": 1.4889940301564, + "CE_NZ": 1.52405368507159, + "CG_CD_CE": 114.027978859676, + "CB_CG": 1.52049531679021, + "CA_CB_CG": 112.508409723588, + "CD_CE_NZ": 109.214365693212, + "CB_CG_CD": 113.674989537489, + "CG_CD": 1.50399862443093 + } +}, +{ + "pk": 8, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53282087018801, @@ -33901,7 +28451,7 @@ } }, { - "pk": 11, + "pk": 9, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.54743972743097, @@ -33915,7 +28465,7 @@ } }, { - "pk": 12, + "pk": 10, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52485505884232, @@ -33928,6 +28478,34 @@ "CG_CD": 1.54072517908608 } }, +{ + "pk": 11, + "model": "pgd_core.sidechain_lys", + "fields": { + "CD_CE": 1.5122452261748, + "CE_NZ": 1.50592970112872, + "CG_CD_CE": 111.20044459553, + "CB_CG": 1.52899643665109, + "CA_CB_CG": 111.720237178675, + "CD_CE_NZ": 110.024049509127, + "CB_CG_CD": 110.597980132386, + "CG_CD": 1.52474115268752 + } +}, +{ + "pk": 12, + "model": "pgd_core.sidechain_lys", + "fields": { + "CD_CE": 1.488645814261, + "CE_NZ": 1.49665326183342, + "CG_CD_CE": 108.634256970811, + "CB_CG": 1.47976078881427, + "CA_CB_CG": 113.440068409006, + "CD_CE_NZ": 114.019590253174, + "CB_CG_CD": 112.103795004768, + "CG_CD": 1.49507442189654 + } +}, { "pk": 13, "model": "pgd_core.sidechain_lys", @@ -33973,6 +28551,20 @@ { "pk": 16, "model": "pgd_core.sidechain_lys", + "fields": { + "CD_CE": 1.50388573341594, + "CE_NZ": 1.48629565818515, + "CG_CD_CE": 114.310039192431, + "CB_CG": 1.50428488021364, + "CA_CB_CG": 116.431441449132, + "CD_CE_NZ": 109.512382879362, + "CB_CG_CD": 111.504663983138, + "CG_CD": 1.52638083676284 + } +}, +{ + "pk": 17, + "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53389115837555, "CE_NZ": 1.47565194283637, @@ -33984,60 +28576,46 @@ "CG_CD": 1.54396244428407 } }, -{ - "pk": 17, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53996224206137, - "CE_NZ": 1.50726665188979, - "CG_CD_CE": 109.415732330666, - "CB_CG": 1.55093298767683, - "CA_CB_CG": 111.715586887558, - "CD_CE_NZ": 110.912868035553, - "CB_CG_CD": 112.668398614953, - "CG_CD": 1.5250794862239 - } -}, { "pk": 18, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.53750008316172, - "CE_NZ": 1.52788967190808, - "CG_CD_CE": 109.649183416084, - "CB_CG": 1.5198575489117, - "CA_CB_CG": 115.396421785092, - "CD_CE_NZ": 116.372602257301, - "CB_CG_CD": 111.577182348821, - "CG_CD": 1.52228258851797 + "CD_CE": 1.46093822445254, + "CE_NZ": 1.509230705124, + "CG_CD_CE": 114.424322719829, + "CB_CG": 1.50415307520235, + "CA_CB_CG": 113.386614275565, + "CD_CE_NZ": 106.227230584759, + "CB_CG_CD": 106.030951660156, + "CG_CD": 1.54873142697927 } }, { "pk": 19, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.53945068213353, - "CE_NZ": 1.47238697022996, - "CG_CD_CE": 113.02511683452, - "CB_CG": 1.54441030283831, - "CA_CB_CG": 115.086327249897, - "CD_CE_NZ": 106.266160831216, - "CB_CG_CD": 110.945047235601, - "CG_CD": 1.51881420405765 + "CD_CE": 1.51956171104892, + "CE_NZ": 1.49010707299485, + "CG_CD_CE": 113.208295554872, + "CB_CG": 1.51043246712314, + "CA_CB_CG": 112.841949928576, + "CD_CE_NZ": 113.721437082322, + "CB_CG_CD": 114.939451119045, + "CG_CD": 1.5065766852429 } }, { "pk": 20, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.488645814261, - "CE_NZ": 1.49665326183342, - "CG_CD_CE": 108.634256970811, - "CB_CG": 1.47976078881427, - "CA_CB_CG": 113.440068409006, - "CD_CE_NZ": 114.019590253174, - "CB_CG_CD": 112.103795004768, - "CG_CD": 1.49507442189654 + "CD_CE": 1.53996224206137, + "CE_NZ": 1.50726665188979, + "CG_CD_CE": 109.415732330666, + "CB_CG": 1.55093298767683, + "CA_CB_CG": 111.715586887558, + "CD_CE_NZ": 110.912868035553, + "CB_CG_CD": 112.668398614953, + "CG_CD": 1.5250794862239 } }, { @@ -34128,201 +28706,159 @@ "pk": 27, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.5617586011026, - "CE_NZ": 1.54752920085641, - "CG_CD_CE": 112.586744464504, - "CB_CG": 1.55435873958167, - "CA_CB_CG": 118.600236713799, - "CD_CE_NZ": 119.920092011469, - "CB_CG_CD": 113.409208021522, - "CG_CD": 1.56031627271515 + "CD_CE": 1.52955205897008, + "CE_NZ": 1.48520700958818, + "CG_CD_CE": 108.600293251841, + "CB_CG": 1.51752271255094, + "CA_CB_CG": 112.848134030637, + "CD_CE_NZ": 113.896946026413, + "CB_CG_CD": 112.401726590387, + "CG_CD": 1.52947620912464 } }, { "pk": 28, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.54333554167399, - "CE_NZ": 1.49035469187966, - "CG_CD_CE": 113.303902718999, - "CB_CG": 1.52314040203023, - "CA_CB_CG": 112.902442343139, - "CD_CE_NZ": 108.946839110473, - "CB_CG_CD": 111.484545730091, - "CG_CD": 1.53556083557898 + "CD_CE": 1.55035630804498, + "CE_NZ": 1.49941226616256, + "CG_CD_CE": 111.283475876114, + "CB_CG": 1.54555210700327, + "CA_CB_CG": 113.75569727884, + "CD_CE_NZ": 112.336038266537, + "CB_CG_CD": 114.243700834932, + "CG_CD": 1.51676903363978 } }, { "pk": 29, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.53358757209503, - "CE_NZ": 1.49344971166442, - "CG_CD_CE": 109.921281771816, - "CB_CG": 1.525824531166, - "CA_CB_CG": 113.431886072402, - "CD_CE_NZ": 110.68185692009, - "CB_CG_CD": 112.921623961926, - "CG_CD": 1.52618010789801 + "CD_CE": 1.5117485072779, + "CE_NZ": 1.52212148949539, + "CG_CD_CE": 111.212516616197, + "CB_CG": 1.53738547117885, + "CA_CB_CG": 115.522385694253, + "CD_CE_NZ": 114.719888432031, + "CB_CG_CD": 111.774699257628, + "CG_CD": 1.55284482830933 } }, { "pk": 30, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.55202187522965, - "CE_NZ": 1.49905134443706, - "CG_CD_CE": 110.33639843483, - "CB_CG": 1.53474304704269, - "CA_CB_CG": 112.860694005753, - "CD_CE_NZ": 114.190569117711, - "CB_CG_CD": 113.592630813287, - "CG_CD": 1.54745895464674 + "CD_CE": 1.52077483825168, + "CE_NZ": 1.46195173698957, + "CG_CD_CE": 112.056834259311, + "CB_CG": 1.5558592055495, + "CA_CB_CG": 112.448829755892, + "CD_CE_NZ": 111.34524122104, + "CB_CG_CD": 111.279686172289, + "CG_CD": 1.52568859682746 } }, { "pk": 31, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.53966211054986, - "CE_NZ": 1.53725049623217, - "CG_CD_CE": 111.52187251299, - "CB_CG": 1.54457203773582, - "CA_CB_CG": 113.558005152176, - "CD_CE_NZ": 112.272546564721, - "CB_CG_CD": 113.062381319309, - "CG_CD": 1.53595776028465 + "CD_CE": 1.54455550100361, + "CE_NZ": 1.49735409353286, + "CG_CD_CE": 111.471245296803, + "CB_CG": 1.52413703870446, + "CA_CB_CG": 114.881092453959, + "CD_CE_NZ": 113.207540113685, + "CB_CG_CD": 111.934525323812, + "CG_CD": 1.51420084319853 } }, { "pk": 32, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.50969702900635, - "CE_NZ": 1.49984278069053, - "CG_CD_CE": 111.53120304104, - "CB_CG": 1.50739351891579, - "CA_CB_CG": 117.737161912731, - "CD_CE_NZ": 109.291482847088, - "CB_CG_CD": 111.079860574893, - "CG_CD": 1.48411994348818 + "CD_CE": 1.53476441880477, + "CE_NZ": 1.49431256337674, + "CG_CD_CE": 110.466011996728, + "CB_CG": 1.51789491971067, + "CA_CB_CG": 114.646220297973, + "CD_CE_NZ": 112.263214309528, + "CB_CG_CD": 112.247606932218, + "CG_CD": 1.52987840927307 } }, { "pk": 33, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.52048263725618, - "CE_NZ": 1.48901773516404, - "CG_CD_CE": 111.230000607375, - "CB_CG": 1.42067530780281, - "CA_CB_CG": 117.254154748017, - "CD_CE_NZ": 111.877962409083, - "CB_CG_CD": 111.78079810216, - "CG_CD": 1.51909292493872 + "CD_CE": 1.54092169434149, + "CE_NZ": 1.49875059246468, + "CG_CD_CE": 112.21141972131, + "CB_CG": 1.52038241371377, + "CA_CB_CG": 114.59277068397, + "CD_CE_NZ": 114.740750019226, + "CB_CG_CD": 111.163827170205, + "CG_CD": 1.5621316817398 } }, { "pk": 34, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.52733723596618, - "CE_NZ": 1.49749242900591, - "CG_CD_CE": 110.166051432318, - "CB_CG": 1.4869986241058, - "CA_CB_CG": 112.255702957065, - "CD_CE_NZ": 112.149866075865, - "CB_CG_CD": 111.834324806247, - "CG_CD": 1.51735611991554 + "CD_CE": 1.55702708753529, + "CE_NZ": 1.53517800610785, + "CG_CD_CE": 111.548953996131, + "CB_CG": 1.52137072881231, + "CA_CB_CG": 112.525762131882, + "CD_CE_NZ": 110.905964492938, + "CB_CG_CD": 112.994672420499, + "CG_CD": 1.55528811961895 } }, { "pk": 35, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.52161491341442, - "CE_NZ": 1.49727181933918, - "CG_CD_CE": 113.667733448465, - "CB_CG": 1.52548120223669, - "CA_CB_CG": 115.57215490393, - "CD_CE_NZ": 109.073205062774, - "CB_CG_CD": 107.991190352759, - "CG_CD": 1.53791120546219 + "CD_CE": 1.52128953656772, + "CE_NZ": 1.47799849982848, + "CG_CD_CE": 111.358053484839, + "CB_CG": 1.51444645297171, + "CA_CB_CG": 115.309718572155, + "CD_CE_NZ": 110.71448184399, + "CB_CG_CD": 111.84385475503, + "CG_CD": 1.52605452333408 } }, { "pk": 36, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.53362635585684, - "CE_NZ": 1.49350018655965, - "CG_CD_CE": 109.352767554663, - "CB_CG": 1.52481014627464, - "CA_CB_CG": 112.080632004614, - "CD_CE_NZ": 113.071940468967, - "CB_CG_CD": 112.303400495524, - "CG_CD": 1.52873697611204 + "CD_CE": 1.50676873210974, + "CE_NZ": 1.50082471109672, + "CG_CD_CE": 110.671720269716, + "CB_CG": 1.51655823592057, + "CA_CB_CG": 113.121876877172, + "CD_CE_NZ": 111.751247595153, + "CB_CG_CD": 110.648196516981, + "CG_CD": 1.53468701743704 } }, { "pk": 37, "model": "pgd_core.sidechain_lys", "fields": { - "CD_CE": 1.51003017842542, - "CE_NZ": 1.45794079785208, - "CG_CD_CE": 113.424599125547, - "CB_CG": 1.55593924215278, - "CA_CB_CG": 114.453202638825, - "CD_CE_NZ": 110.655927255978, - "CB_CG_CD": 114.658374663074, - "CG_CD": 1.57242048042898 + "CD_CE": 1.51462663322601, + "CE_NZ": 1.50416117443748, + "CG_CD_CE": 112.358323590027, + "CB_CG": 1.54627218817766, + "CA_CB_CG": 112.752264815183, + "CD_CE_NZ": 113.022014714297, + "CB_CG_CD": 111.975931058172, + "CG_CD": 1.53123800983331 } }, { "pk": 38, "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52945422040148, - "CE_NZ": 1.46851407270302, - "CG_CD_CE": 114.105166814515, - "CB_CG": 1.55194900866492, - "CA_CB_CG": 115.956054803713, - "CD_CE_NZ": 110.491279643036, - "CB_CG_CD": 109.90344140581, - "CG_CD": 1.56646897668998 - } -}, -{ - "pk": 39, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.48218671882762, - "CE_NZ": 1.48206121066614, - "CG_CD_CE": 111.271726202992, - "CB_CG": 1.47207679545127, - "CA_CB_CG": 110.329299095117, - "CD_CE_NZ": 103.743164538485, - "CB_CG_CD": 111.391852077763, - "CG_CD": 1.46140938128134 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52081878604385, - "CE_NZ": 1.52317862022296, - "CG_CD_CE": 112.228920349001, - "CB_CG": 1.50435530217214, - "CA_CB_CG": 113.756243755153, - "CD_CE_NZ": 112.586154277541, - "CB_CG_CD": 107.47092116447, - "CG_CD": 1.52767439536144 - } -}, -{ - "pk": 41, - "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52809882478612, "CE_NZ": 1.48547031644633, @@ -34335,49 +28871,7 @@ } }, { - "pk": 42, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5353268183785, - "CE_NZ": 1.45837236216819, - "CG_CD_CE": 112.719268455723, - "CB_CG": 1.54258111451352, - "CA_CB_CG": 113.890686642462, - "CD_CE_NZ": 111.11863509647, - "CB_CG_CD": 111.933591895037, - "CG_CD": 1.52425809004094 - } -}, -{ - "pk": 43, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52741871720274, - "CE_NZ": 1.45749906645683, - "CG_CD_CE": 110.153047107576, - "CB_CG": 1.50144932378361, - "CA_CB_CG": 114.492508106673, - "CD_CE_NZ": 110.044238354107, - "CB_CG_CD": 111.659397988164, - "CG_CD": 1.49438445841328 - } -}, -{ - "pk": 44, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52795810007917, - "CE_NZ": 1.49987400489211, - "CG_CD_CE": 112.075794013057, - "CB_CG": 1.51733584733549, - "CA_CB_CG": 112.725108609557, - "CD_CE_NZ": 111.970012023959, - "CB_CG_CD": 112.051175518223, - "CG_CD": 1.53989417089534 - } -}, -{ - "pk": 45, + "pk": 39, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52572812714557, @@ -34391,7 +28885,7 @@ } }, { - "pk": 46, + "pk": 40, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52131864686667, @@ -34405,35 +28899,7 @@ } }, { - "pk": 47, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51980256503607, - "CE_NZ": 1.48930064230884, - "CG_CD_CE": 110.565813688079, - "CB_CG": 1.49026705187514, - "CA_CB_CG": 113.848959500398, - "CD_CE_NZ": 112.741278331816, - "CB_CG_CD": 110.384853814618, - "CG_CD": 1.52205514452561 - } -}, -{ - "pk": 48, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54172898216172, - "CE_NZ": 1.51679631026416, - "CG_CD_CE": 112.002961561138, - "CB_CG": 1.50831200640455, - "CA_CB_CG": 113.764006360047, - "CD_CE_NZ": 110.880439811214, - "CB_CG_CD": 110.39582405387, - "CG_CD": 1.53520288107579 - } -}, -{ - "pk": 49, + "pk": 41, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52644397934722, @@ -34447,49 +28913,7 @@ } }, { - "pk": 50, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5375093531832, - "CE_NZ": 1.51744064803587, - "CG_CD_CE": 111.668522351162, - "CB_CG": 1.50956070159409, - "CA_CB_CG": 115.143525936989, - "CD_CE_NZ": 111.526996962236, - "CB_CG_CD": 111.855368455112, - "CG_CD": 1.52861581359606 - } -}, -{ - "pk": 51, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54053597122844, - "CE_NZ": 1.51221363966389, - "CG_CD_CE": 110.913199111215, - "CB_CG": 1.51536154057969, - "CA_CB_CG": 115.651541688189, - "CD_CE_NZ": 111.137319353695, - "CB_CG_CD": 112.648808271657, - "CG_CD": 1.52444932326522 - } -}, -{ - "pk": 52, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54157099562577, - "CE_NZ": 1.50393193782013, - "CG_CD_CE": 112.423263497361, - "CB_CG": 1.52320136032936, - "CA_CB_CG": 117.245083286097, - "CD_CE_NZ": 113.79584970847, - "CB_CG_CD": 108.428999735564, - "CG_CD": 1.55774303810091 - } -}, -{ - "pk": 53, + "pk": 42, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50930857022757, @@ -34503,35 +28927,7 @@ } }, { - "pk": 54, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50816283373602, - "CE_NZ": 1.48914349067466, - "CG_CD_CE": 110.862529816833, - "CB_CG": 1.49555630541237, - "CA_CB_CG": 113.207083224299, - "CD_CE_NZ": 108.277054343737, - "CB_CG_CD": 109.880018841099, - "CG_CD": 1.51196392016935 - } -}, -{ - "pk": 55, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53279071959229, - "CE_NZ": 1.50978753006762, - "CG_CD_CE": 111.583531231866, - "CB_CG": 1.52997581293838, - "CA_CB_CG": 113.37287234976, - "CD_CE_NZ": 111.512171272105, - "CB_CG_CD": 109.018590763666, - "CG_CD": 1.54274113673415 - } -}, -{ - "pk": 56, + "pk": 43, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52435237002907, @@ -34545,21 +28941,7 @@ } }, { - "pk": 57, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51157008754729, - "CE_NZ": 1.5084959954961, - "CG_CD_CE": 112.185543934713, - "CB_CG": 1.52101730288637, - "CA_CB_CG": 114.758573478798, - "CD_CE_NZ": 109.309782229611, - "CB_CG_CD": 109.988860557848, - "CG_CD": 1.51737545264938 - } -}, -{ - "pk": 58, + "pk": 44, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51328892183075, @@ -34573,7 +28955,7 @@ } }, { - "pk": 59, + "pk": 45, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50163621667342, @@ -34587,21 +28969,7 @@ } }, { - "pk": 60, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52968411456951, - "CE_NZ": 1.51834732197559, - "CG_CD_CE": 113.422523579475, - "CB_CG": 1.53226470733138, - "CA_CB_CG": 113.930740089855, - "CD_CE_NZ": 107.522360384291, - "CB_CG_CD": 110.738564052308, - "CG_CD": 1.53329206178188 - } -}, -{ - "pk": 61, + "pk": 46, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52183475980128, @@ -34615,35 +28983,7 @@ } }, { - "pk": 62, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52010409197534, - "CE_NZ": 1.53109061265531, - "CG_CD_CE": 113.567601101567, - "CB_CG": 1.49671667861382, - "CA_CB_CG": 114.365411676642, - "CD_CE_NZ": 111.805091808565, - "CB_CG_CD": 111.765495718336, - "CG_CD": 1.53327400865772 - } -}, -{ - "pk": 63, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50309267509329, - "CE_NZ": 1.50480008442071, - "CG_CD_CE": 112.327313728582, - "CB_CG": 1.50147765102301, - "CA_CB_CG": 113.930521849469, - "CD_CE_NZ": 107.139027144569, - "CB_CG_CD": 108.209220514793, - "CG_CD": 1.5145265203064 - } -}, -{ - "pk": 64, + "pk": 47, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51762255346585, @@ -34657,7 +28997,7 @@ } }, { - "pk": 65, + "pk": 48, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51654280245136, @@ -34671,7 +29011,7 @@ } }, { - "pk": 66, + "pk": 49, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52818207444087, @@ -34685,35 +29025,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52641165129411, - "CE_NZ": 1.49149838616989, - "CG_CD_CE": 112.830725473634, - "CB_CG": 1.52809655435752, - "CA_CB_CG": 115.575132064593, - "CD_CE_NZ": 111.493625921281, - "CB_CG_CD": 109.412549565857, - "CG_CD": 1.53399761937061 - } -}, -{ - "pk": 68, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53798717081855, - "CE_NZ": 1.50911776806402, - "CG_CD_CE": 112.464904184593, - "CB_CG": 1.54005095972995, - "CA_CB_CG": 113.652102007422, - "CD_CE_NZ": 111.768567147233, - "CB_CG_CD": 111.155482079601, - "CG_CD": 1.5024272338919 - } -}, -{ - "pk": 69, + "pk": 50, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51707847075459, @@ -34727,7 +29039,7 @@ } }, { - "pk": 70, + "pk": 51, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51890927928597, @@ -34741,7 +29053,7 @@ } }, { - "pk": 71, + "pk": 52, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50482528900333, @@ -34755,7 +29067,7 @@ } }, { - "pk": 72, + "pk": 53, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52947840998224, @@ -34769,7 +29081,7 @@ } }, { - "pk": 73, + "pk": 54, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52603832207133, @@ -34783,7 +29095,7 @@ } }, { - "pk": 74, + "pk": 55, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51948262523549, @@ -34797,7 +29109,7 @@ } }, { - "pk": 75, + "pk": 56, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5113409349502, @@ -34811,7 +29123,7 @@ } }, { - "pk": 76, + "pk": 57, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53698222826736, @@ -34825,77 +29137,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53041388451348, - "CE_NZ": 1.50368508965638, - "CG_CD_CE": 110.836185707507, - "CB_CG": 1.5442572365067, - "CA_CB_CG": 110.54707119202, - "CD_CE_NZ": 112.145656921649, - "CB_CG_CD": 113.688466529329, - "CG_CD": 1.52918016616845 - } -}, -{ - "pk": 78, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54676291628824, - "CE_NZ": 1.52541814501107, - "CG_CD_CE": 112.629848064573, - "CB_CG": 1.53354618650144, - "CA_CB_CG": 112.664610997321, - "CD_CE_NZ": 114.001211810774, - "CB_CG_CD": 110.02162588694, - "CG_CD": 1.52526078261484 - } -}, -{ - "pk": 79, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52659751498158, - "CE_NZ": 1.49939552615583, - "CG_CD_CE": 111.475443238461, - "CB_CG": 1.54084187984179, - "CA_CB_CG": 115.117172954549, - "CD_CE_NZ": 112.066831621988, - "CB_CG_CD": 110.370090062668, - "CG_CD": 1.53130494281753 - } -}, -{ - "pk": 80, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50343635619891, - "CE_NZ": 1.46762811557123, - "CG_CD_CE": 110.548276320957, - "CB_CG": 1.50358503278243, - "CA_CB_CG": 112.621942302507, - "CD_CE_NZ": 111.078597196532, - "CB_CG_CD": 112.314569578214, - "CG_CD": 1.51701494997572 - } -}, -{ - "pk": 81, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5169053872835, - "CE_NZ": 1.51283602869386, - "CG_CD_CE": 111.204077937355, - "CB_CG": 1.53676905356741, - "CA_CB_CG": 113.733843138285, - "CD_CE_NZ": 113.893629138568, - "CB_CG_CD": 109.876032753507, - "CG_CD": 1.5342107452157 - } -}, -{ - "pk": 82, + "pk": 58, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5178252122998, @@ -34909,21 +29151,7 @@ } }, { - "pk": 83, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52534691553008, - "CE_NZ": 1.53125390602101, - "CG_CD_CE": 109.83719138903, - "CB_CG": 1.51688852772291, - "CA_CB_CG": 111.816727391954, - "CD_CE_NZ": 112.66563371251, - "CB_CG_CD": 111.853908669317, - "CG_CD": 1.48269565327297 - } -}, -{ - "pk": 84, + "pk": 59, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51406196944274, @@ -34937,77 +29165,7 @@ } }, { - "pk": 85, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53239037568628, - "CE_NZ": 1.4690892224642, - "CG_CD_CE": 110.851426012647, - "CB_CG": 1.51998807794474, - "CA_CB_CG": 114.183631291877, - "CD_CE_NZ": 110.625100082135, - "CB_CG_CD": 110.860925274847, - "CG_CD": 1.50847388027275 - } -}, -{ - "pk": 86, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53190147989788, - "CE_NZ": 1.50871395161193, - "CG_CD_CE": 110.162802625872, - "CB_CG": 1.51541413181784, - "CA_CB_CG": 113.793022964788, - "CD_CE_NZ": 113.701206134952, - "CB_CG_CD": 110.340795492301, - "CG_CD": 1.53935770286248 - } -}, -{ - "pk": 87, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51798571261839, - "CE_NZ": 1.52145363283471, - "CG_CD_CE": 113.788918393127, - "CB_CG": 1.55327483448304, - "CA_CB_CG": 113.666812552829, - "CD_CE_NZ": 112.311536009805, - "CB_CG_CD": 110.344342369809, - "CG_CD": 1.52900816654482 - } -}, -{ - "pk": 88, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53577772931667, - "CE_NZ": 1.49807692917619, - "CG_CD_CE": 108.941093729728, - "CB_CG": 1.49864027496446, - "CA_CB_CG": 111.741254965606, - "CD_CE_NZ": 112.710028668923, - "CB_CG_CD": 112.901777357692, - "CG_CD": 1.51320484968191 - } -}, -{ - "pk": 89, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52418528140999, - "CE_NZ": 1.50435660096752, - "CG_CD_CE": 111.816290868052, - "CB_CG": 1.50920328312924, - "CA_CB_CG": 115.452645338712, - "CD_CE_NZ": 109.753197351024, - "CB_CG_CD": 111.60743729095, - "CG_CD": 1.51122030421249 - } -}, -{ - "pk": 90, + "pk": 60, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51446298635017, @@ -35021,7 +29179,7 @@ } }, { - "pk": 91, + "pk": 61, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52176138351292, @@ -35035,7 +29193,7 @@ } }, { - "pk": 92, + "pk": 62, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52190988209527, @@ -35049,7 +29207,7 @@ } }, { - "pk": 93, + "pk": 63, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51807980137144, @@ -35063,7 +29221,7 @@ } }, { - "pk": 94, + "pk": 64, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51924791701007, @@ -35077,63 +29235,7 @@ } }, { - "pk": 95, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52051895366717, - "CE_NZ": 1.5006265029585, - "CG_CD_CE": 113.325934950262, - "CB_CG": 1.51947825926954, - "CA_CB_CG": 113.883980646787, - "CD_CE_NZ": 111.708957644272, - "CB_CG_CD": 111.958857735261, - "CG_CD": 1.53517340434581 - } -}, -{ - "pk": 96, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5380570168132, - "CE_NZ": 1.52443733604603, - "CG_CD_CE": 112.15709809196, - "CB_CG": 1.52322697815648, - "CA_CB_CG": 112.645391717249, - "CD_CE_NZ": 114.345369487792, - "CB_CG_CD": 111.313835563544, - "CG_CD": 1.53755122676388 - } -}, -{ - "pk": 97, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52605218994877, - "CE_NZ": 1.50492323398706, - "CG_CD_CE": 111.488341155842, - "CB_CG": 1.55346844223819, - "CA_CB_CG": 111.84462031244, - "CD_CE_NZ": 109.883881461553, - "CB_CG_CD": 112.38200421098, - "CG_CD": 1.51628288758979 - } -}, -{ - "pk": 98, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52740121886693, - "CE_NZ": 1.50321007368026, - "CG_CD_CE": 110.272601101461, - "CB_CG": 1.51832568476346, - "CA_CB_CG": 114.120080494023, - "CD_CE_NZ": 114.645075036242, - "CB_CG_CD": 114.674669551882, - "CG_CD": 1.54411737020985 - } -}, -{ - "pk": 99, + "pk": 65, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.54080165817422, @@ -35147,7 +29249,7 @@ } }, { - "pk": 100, + "pk": 66, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.49927305434755, @@ -35161,35 +29263,7 @@ } }, { - "pk": 101, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53421473510299, - "CE_NZ": 1.48874114197277, - "CG_CD_CE": 109.69142648508, - "CB_CG": 1.53034663136208, - "CA_CB_CG": 115.080146019476, - "CD_CE_NZ": 112.44990483868, - "CB_CG_CD": 112.281414626863, - "CG_CD": 1.51289365626107 - } -}, -{ - "pk": 102, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50107450999204, - "CE_NZ": 1.49898322648063, - "CG_CD_CE": 113.778522889559, - "CB_CG": 1.50704074668115, - "CA_CB_CG": 114.673186887428, - "CD_CE_NZ": 105.401912241565, - "CB_CG_CD": 105.381808463355, - "CG_CD": 1.51002061689347 - } -}, -{ - "pk": 103, + "pk": 67, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52811709373919, @@ -35203,63 +29277,7 @@ } }, { - "pk": 104, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54955234007718, - "CE_NZ": 1.51554141693334, - "CG_CD_CE": 111.290669621639, - "CB_CG": 1.52503114391474, - "CA_CB_CG": 111.235726391193, - "CD_CE_NZ": 113.341219178253, - "CB_CG_CD": 112.592338012154, - "CG_CD": 1.53620171874141 - } -}, -{ - "pk": 105, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54441445432541, - "CE_NZ": 1.50172240851489, - "CG_CD_CE": 112.729157046573, - "CB_CG": 1.5263155297488, - "CA_CB_CG": 115.466161681672, - "CD_CE_NZ": 113.290478406392, - "CB_CG_CD": 110.068780994763, - "CG_CD": 1.53361596817452 - } -}, -{ - "pk": 106, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52153947006205, - "CE_NZ": 1.48797992413038, - "CG_CD_CE": 109.97620020882, - "CB_CG": 1.49208652812704, - "CA_CB_CG": 116.660615967283, - "CD_CE_NZ": 111.481106786574, - "CB_CG_CD": 108.17229863697, - "CG_CD": 1.53456605874434 - } -}, -{ - "pk": 107, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.56182906548388, - "CE_NZ": 1.51516297096572, - "CG_CD_CE": 110.890754919688, - "CB_CG": 1.52946942672818, - "CA_CB_CG": 111.839521832909, - "CD_CE_NZ": 114.748530509458, - "CB_CG_CD": 113.279775145005, - "CG_CD": 1.52312182883893 - } -}, -{ - "pk": 108, + "pk": 68, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52284853344255, @@ -35273,21 +29291,7 @@ } }, { - "pk": 109, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52418308220009, - "CE_NZ": 1.50044836362281, - "CG_CD_CE": 109.50757653841, - "CB_CG": 1.52511668813307, - "CA_CB_CG": 113.492752258036, - "CD_CE_NZ": 114.067259761493, - "CB_CG_CD": 112.80967387441, - "CG_CD": 1.53406585235788 - } -}, -{ - "pk": 110, + "pk": 69, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.524075236322, @@ -35301,63 +29305,7 @@ } }, { - "pk": 111, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51613192679278, - "CE_NZ": 1.51914907792522, - "CG_CD_CE": 113.275518275459, - "CB_CG": 1.53188171634345, - "CA_CB_CG": 111.835287821179, - "CD_CE_NZ": 110.223183612728, - "CB_CG_CD": 113.513009090598, - "CG_CD": 1.54095127887737 - } -}, -{ - "pk": 112, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50289609119909, - "CE_NZ": 1.53124245713456, - "CG_CD_CE": 114.115584647889, - "CB_CG": 1.52884647975775, - "CA_CB_CG": 115.180547987839, - "CD_CE_NZ": 109.028781067048, - "CB_CG_CD": 106.160180475726, - "CG_CD": 1.53100480769745 - } -}, -{ - "pk": 113, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53963935464124, - "CE_NZ": 1.50234123673501, - "CG_CD_CE": 111.915718615633, - "CB_CG": 1.51683407142057, - "CA_CB_CG": 116.709988451785, - "CD_CE_NZ": 114.613268998548, - "CB_CG_CD": 111.91504066829, - "CG_CD": 1.54581616375466 - } -}, -{ - "pk": 114, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53123381387527, - "CE_NZ": 1.4831727348468, - "CG_CD_CE": 110.674274108623, - "CB_CG": 1.52783758576828, - "CA_CB_CG": 113.692569962759, - "CD_CE_NZ": 114.051129044069, - "CB_CG_CD": 112.660879074355, - "CG_CD": 1.53726685557897 - } -}, -{ - "pk": 115, + "pk": 70, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5075160270606, @@ -35371,21 +29319,7 @@ } }, { - "pk": 116, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5392430380129, - "CE_NZ": 1.50711584484821, - "CG_CD_CE": 111.550348245316, - "CB_CG": 1.55846664160108, - "CA_CB_CG": 114.219981543209, - "CD_CE_NZ": 113.766375410793, - "CB_CG_CD": 111.888622434973, - "CG_CD": 1.52782198079684 - } -}, -{ - "pk": 117, + "pk": 71, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52289599989714, @@ -35399,49 +29333,7 @@ } }, { - "pk": 118, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54284090174819, - "CE_NZ": 1.50071264085677, - "CG_CD_CE": 113.063552112439, - "CB_CG": 1.5176777591707, - "CA_CB_CG": 115.775318221847, - "CD_CE_NZ": 115.67227185564, - "CB_CG_CD": 112.585337585627, - "CG_CD": 1.50067810311713 - } -}, -{ - "pk": 119, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50842139891896, - "CE_NZ": 1.48568486667665, - "CG_CD_CE": 112.205402383142, - "CB_CG": 1.49622765007476, - "CA_CB_CG": 110.280527656161, - "CD_CE_NZ": 107.725729820287, - "CB_CG_CD": 113.748784336474, - "CG_CD": 1.50416126519996 - } -}, -{ - "pk": 120, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54015314642239, - "CE_NZ": 1.48697933525005, - "CG_CD_CE": 112.079473420451, - "CB_CG": 1.53379302912848, - "CA_CB_CG": 113.220300102478, - "CD_CE_NZ": 112.050005814052, - "CB_CG_CD": 112.129480668561, - "CG_CD": 1.53110263485343 - } -}, -{ - "pk": 121, + "pk": 72, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51143086224454, @@ -35455,7 +29347,7 @@ } }, { - "pk": 122, + "pk": 73, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51148043614863, @@ -35469,63 +29361,7 @@ } }, { - "pk": 123, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50022037062602, - "CE_NZ": 1.50474258654766, - "CG_CD_CE": 111.717022145016, - "CB_CG": 1.48809130585035, - "CA_CB_CG": 115.742478938046, - "CD_CE_NZ": 109.435646936503, - "CB_CG_CD": 107.307477536851, - "CG_CD": 1.54715697098368 - } -}, -{ - "pk": 124, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5190847660651, - "CE_NZ": 1.51275436006677, - "CG_CD_CE": 112.911514936526, - "CB_CG": 1.51198810661935, - "CA_CB_CG": 117.582551903103, - "CD_CE_NZ": 113.266969768189, - "CB_CG_CD": 108.765167495335, - "CG_CD": 1.54703814367937 - } -}, -{ - "pk": 125, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52976935082122, - "CE_NZ": 1.50069560648545, - "CG_CD_CE": 110.896750567256, - "CB_CG": 1.52088706258895, - "CA_CB_CG": 111.528984114688, - "CD_CE_NZ": 112.896646337507, - "CB_CG_CD": 112.282089342197, - "CG_CD": 1.52746968083479 - } -}, -{ - "pk": 126, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54021001701828, - "CE_NZ": 1.50405120486822, - "CG_CD_CE": 111.263452707037, - "CB_CG": 1.5211231294979, - "CA_CB_CG": 114.757132991733, - "CD_CE_NZ": 114.881860689521, - "CB_CG_CD": 111.481739295735, - "CG_CD": 1.53897619134554 - } -}, -{ - "pk": 127, + "pk": 74, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52360938066317, @@ -35539,7 +29375,7 @@ } }, { - "pk": 128, + "pk": 75, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51453926587171, @@ -35553,49 +29389,7 @@ } }, { - "pk": 129, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52740439151307, - "CE_NZ": 1.50919782004509, - "CG_CD_CE": 111.741400859753, - "CB_CG": 1.5193075716049, - "CA_CB_CG": 114.093549264691, - "CD_CE_NZ": 110.876699554343, - "CB_CG_CD": 109.651207856324, - "CG_CD": 1.52220479817402 - } -}, -{ - "pk": 130, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53194665964434, - "CE_NZ": 1.50945555934306, - "CG_CD_CE": 111.592491627057, - "CB_CG": 1.54600635369444, - "CA_CB_CG": 114.755029083437, - "CD_CE_NZ": 112.943100143136, - "CB_CG_CD": 110.325937197974, - "CG_CD": 1.51106467668345 - } -}, -{ - "pk": 131, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.55185521884705, - "CE_NZ": 1.5235048629841, - "CG_CD_CE": 112.032699265947, - "CB_CG": 1.54062048946352, - "CA_CB_CG": 114.916639243526, - "CD_CE_NZ": 113.37838698795, - "CB_CG_CD": 113.055104511857, - "CG_CD": 1.51674993878973 - } -}, -{ - "pk": 132, + "pk": 76, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50998090380684, @@ -35609,21 +29403,7 @@ } }, { - "pk": 133, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53236866122785, - "CE_NZ": 1.493614872735, - "CG_CD_CE": 112.564865095881, - "CB_CG": 1.51766441125258, - "CA_CB_CG": 112.003859936026, - "CD_CE_NZ": 107.251268533596, - "CB_CG_CD": 112.916332899765, - "CG_CD": 1.51960271517258 - } -}, -{ - "pk": 134, + "pk": 77, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51957006010063, @@ -35637,21 +29417,7 @@ } }, { - "pk": 135, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5104691670033, - "CE_NZ": 1.50707124653356, - "CG_CD_CE": 112.313560759609, - "CB_CG": 1.49368776870126, - "CA_CB_CG": 114.879727425664, - "CD_CE_NZ": 110.919520726779, - "CB_CG_CD": 109.713076064207, - "CG_CD": 1.53124134231178 - } -}, -{ - "pk": 136, + "pk": 78, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.49836854626193, @@ -35665,7 +29431,7 @@ } }, { - "pk": 137, + "pk": 79, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51336731288564, @@ -35679,21 +29445,7 @@ } }, { - "pk": 138, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52999536496193, - "CE_NZ": 1.49634287010875, - "CG_CD_CE": 110.747059106293, - "CB_CG": 1.52999333242131, - "CA_CB_CG": 113.723046506811, - "CD_CE_NZ": 113.560977734827, - "CB_CG_CD": 112.638885853672, - "CG_CD": 1.52632124576237 - } -}, -{ - "pk": 139, + "pk": 80, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52709854869306, @@ -35707,7 +29459,7 @@ } }, { - "pk": 140, + "pk": 81, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.54465919496885, @@ -35721,7 +29473,7 @@ } }, { - "pk": 141, + "pk": 82, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5298380359234, @@ -35735,21 +29487,7 @@ } }, { - "pk": 142, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51926102094133, - "CE_NZ": 1.49540569120594, - "CG_CD_CE": 112.503051834705, - "CB_CG": 1.52300112525372, - "CA_CB_CG": 113.416235465846, - "CD_CE_NZ": 112.649507361928, - "CB_CG_CD": 112.151191264125, - "CG_CD": 1.52773929486577 - } -}, -{ - "pk": 143, + "pk": 83, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51397549374517, @@ -35763,7 +29501,7 @@ } }, { - "pk": 144, + "pk": 84, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51694870234939, @@ -35777,7 +29515,7 @@ } }, { - "pk": 145, + "pk": 85, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50944858998563, @@ -35791,21 +29529,7 @@ } }, { - "pk": 146, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51482033594072, - "CE_NZ": 1.50148901906876, - "CG_CD_CE": 113.848402413435, - "CB_CG": 1.53141826290788, - "CA_CB_CG": 115.149794634783, - "CD_CE_NZ": 108.919540461549, - "CB_CG_CD": 106.932251078698, - "CG_CD": 1.51758788851457 - } -}, -{ - "pk": 147, + "pk": 86, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51352565535982, @@ -35819,35 +29543,7 @@ } }, { - "pk": 148, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51616572463216, - "CE_NZ": 1.51808349164722, - "CG_CD_CE": 113.43871200744, - "CB_CG": 1.5171447202274, - "CA_CB_CG": 114.103681664235, - "CD_CE_NZ": 113.944067143236, - "CB_CG_CD": 114.26829800496, - "CG_CD": 1.55341621691227 - } -}, -{ - "pk": 149, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.60043182121686, - "CE_NZ": 1.53122554575933, - "CG_CD_CE": 115.084283292085, - "CB_CG": 1.53676340176099, - "CA_CB_CG": 116.320725471948, - "CD_CE_NZ": 113.517811132685, - "CB_CG_CD": 112.511604491222, - "CG_CD": 1.57105320453597 - } -}, -{ - "pk": 150, + "pk": 87, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53688055147093, @@ -35861,35 +29557,7 @@ } }, { - "pk": 151, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52487027094713, - "CE_NZ": 1.49241497444515, - "CG_CD_CE": 112.56156021686, - "CB_CG": 1.52277897920362, - "CA_CB_CG": 115.613200668834, - "CD_CE_NZ": 110.468467121601, - "CB_CG_CD": 109.22533360973, - "CG_CD": 1.55463939696646 - } -}, -{ - "pk": 152, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52883106301368, - "CE_NZ": 1.50185586148088, - "CG_CD_CE": 110.026986579297, - "CB_CG": 1.51763562493996, - "CA_CB_CG": 112.729573366524, - "CD_CE_NZ": 111.890198456702, - "CB_CG_CD": 110.884646797943, - "CG_CD": 1.526044083565 - } -}, -{ - "pk": 153, + "pk": 88, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.54328162642755, @@ -35903,21 +29571,7 @@ } }, { - "pk": 154, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53758469558865, - "CE_NZ": 1.50563937205352, - "CG_CD_CE": 111.603685807903, - "CB_CG": 1.5348064701317, - "CA_CB_CG": 113.781461040353, - "CD_CE_NZ": 113.774572777558, - "CB_CG_CD": 112.246581814987, - "CG_CD": 1.524590215369 - } -}, -{ - "pk": 155, + "pk": 89, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50828561993452, @@ -35931,7 +29585,7 @@ } }, { - "pk": 156, + "pk": 90, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50280273350585, @@ -35945,7 +29599,7 @@ } }, { - "pk": 157, + "pk": 91, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51818028964094, @@ -35959,21 +29613,7 @@ } }, { - "pk": 158, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52604812578334, - "CE_NZ": 1.49842720597841, - "CG_CD_CE": 109.530317469037, - "CB_CG": 1.52128032230441, - "CA_CB_CG": 114.923506796999, - "CD_CE_NZ": 114.693025584467, - "CB_CG_CD": 112.98448512181, - "CG_CD": 1.51544616501558 - } -}, -{ - "pk": 159, + "pk": 92, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51910085270942, @@ -35987,35 +29627,7 @@ } }, { - "pk": 160, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53060361195726, - "CE_NZ": 1.49985334016143, - "CG_CD_CE": 111.19975236681, - "CB_CG": 1.49627826080077, - "CA_CB_CG": 113.107226726486, - "CD_CE_NZ": 110.04158750284, - "CB_CG_CD": 110.3762448856, - "CG_CD": 1.51088179383963 - } -}, -{ - "pk": 161, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52955205897008, - "CE_NZ": 1.48520700958818, - "CG_CD_CE": 108.600293251841, - "CB_CG": 1.51752271255094, - "CA_CB_CG": 112.848134030637, - "CD_CE_NZ": 113.896946026413, - "CB_CG_CD": 112.401726590387, - "CG_CD": 1.52947620912464 - } -}, -{ - "pk": 162, + "pk": 93, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50241513617996, @@ -36029,21 +29641,7 @@ } }, { - "pk": 163, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.55035630804498, - "CE_NZ": 1.49941226616256, - "CG_CD_CE": 111.283475876114, - "CB_CG": 1.54555210700327, - "CA_CB_CG": 113.75569727884, - "CD_CE_NZ": 112.336038266537, - "CB_CG_CD": 114.243700834932, - "CG_CD": 1.51676903363978 - } -}, -{ - "pk": 164, + "pk": 94, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52877515371391, @@ -36057,21 +29655,7 @@ } }, { - "pk": 165, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.5117485072779, - "CE_NZ": 1.52212148949539, - "CG_CD_CE": 111.212516616197, - "CB_CG": 1.53738547117885, - "CA_CB_CG": 115.522385694253, - "CD_CE_NZ": 114.719888432031, - "CB_CG_CD": 111.774699257628, - "CG_CD": 1.55284482830933 - } -}, -{ - "pk": 166, + "pk": 95, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52329309724582, @@ -36085,21 +29669,7 @@ } }, { - "pk": 167, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52077483825168, - "CE_NZ": 1.46195173698957, - "CG_CD_CE": 112.056834259311, - "CB_CG": 1.5558592055495, - "CA_CB_CG": 112.448829755892, - "CD_CE_NZ": 111.34524122104, - "CB_CG_CD": 111.279686172289, - "CG_CD": 1.52568859682746 - } -}, -{ - "pk": 168, + "pk": 96, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5455678912853, @@ -36113,35 +29683,7 @@ } }, { - "pk": 169, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54455550100361, - "CE_NZ": 1.49735409353286, - "CG_CD_CE": 111.471245296803, - "CB_CG": 1.52413703870446, - "CA_CB_CG": 114.881092453959, - "CD_CE_NZ": 113.207540113685, - "CB_CG_CD": 111.934525323812, - "CG_CD": 1.51420084319853 - } -}, -{ - "pk": 170, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.53476441880477, - "CE_NZ": 1.49431256337674, - "CG_CD_CE": 110.466011996728, - "CB_CG": 1.51789491971067, - "CA_CB_CG": 114.646220297973, - "CD_CE_NZ": 112.263214309528, - "CB_CG_CD": 112.247606932218, - "CG_CD": 1.52987840927307 - } -}, -{ - "pk": 171, + "pk": 97, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52859169849756, @@ -36155,35 +29697,7 @@ } }, { - "pk": 172, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.54092169434149, - "CE_NZ": 1.49875059246468, - "CG_CD_CE": 112.21141972131, - "CB_CG": 1.52038241371377, - "CA_CB_CG": 114.59277068397, - "CD_CE_NZ": 114.740750019226, - "CB_CG_CD": 111.163827170205, - "CG_CD": 1.5621316817398 - } -}, -{ - "pk": 173, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.55702708753529, - "CE_NZ": 1.53517800610785, - "CG_CD_CE": 111.548953996131, - "CB_CG": 1.52137072881231, - "CA_CB_CG": 112.525762131882, - "CD_CE_NZ": 110.905964492938, - "CB_CG_CD": 112.994672420499, - "CG_CD": 1.55528811961895 - } -}, -{ - "pk": 174, + "pk": 98, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52520020451227, @@ -36197,21 +29711,7 @@ } }, { - "pk": 175, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.52128953656772, - "CE_NZ": 1.47799849982848, - "CG_CD_CE": 111.358053484839, - "CB_CG": 1.51444645297171, - "CA_CB_CG": 115.309718572155, - "CD_CE_NZ": 110.71448184399, - "CB_CG_CD": 111.84385475503, - "CG_CD": 1.52605452333408 - } -}, -{ - "pk": 176, + "pk": 99, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53094090611906, @@ -36225,21 +29725,7 @@ } }, { - "pk": 177, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.50676873210974, - "CE_NZ": 1.50082471109672, - "CG_CD_CE": 110.671720269716, - "CB_CG": 1.51655823592057, - "CA_CB_CG": 113.121876877172, - "CD_CE_NZ": 111.751247595153, - "CB_CG_CD": 110.648196516981, - "CG_CD": 1.53468701743704 - } -}, -{ - "pk": 178, + "pk": 100, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53290196011364, @@ -36253,7 +29739,7 @@ } }, { - "pk": 179, + "pk": 101, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52811603510145, @@ -36267,7 +29753,7 @@ } }, { - "pk": 180, + "pk": 102, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53509394999527, @@ -36281,21 +29767,7 @@ } }, { - "pk": 181, - "model": "pgd_core.sidechain_lys", - "fields": { - "CD_CE": 1.51462663322601, - "CE_NZ": 1.50416117443748, - "CG_CD_CE": 112.358323590027, - "CB_CG": 1.54627218817766, - "CA_CB_CG": 112.752264815183, - "CD_CE_NZ": 113.022014714297, - "CB_CG_CD": 111.975931058172, - "CG_CD": 1.53123800983331 - } -}, -{ - "pk": 182, + "pk": 103, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52333785024978, @@ -36309,7 +29781,7 @@ } }, { - "pk": 183, + "pk": 104, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51921416531204, @@ -36323,7 +29795,7 @@ } }, { - "pk": 184, + "pk": 105, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52557332665945, @@ -36337,7 +29809,7 @@ } }, { - "pk": 185, + "pk": 106, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52151592498373, @@ -36351,7 +29823,7 @@ } }, { - "pk": 186, + "pk": 107, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5221149956015, @@ -36365,7 +29837,7 @@ } }, { - "pk": 187, + "pk": 108, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52313969040352, @@ -36379,7 +29851,7 @@ } }, { - "pk": 188, + "pk": 109, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52271937409863, @@ -36393,7 +29865,7 @@ } }, { - "pk": 189, + "pk": 110, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.54738563480994, @@ -36407,7 +29879,7 @@ } }, { - "pk": 190, + "pk": 111, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53881106005355, @@ -36421,7 +29893,7 @@ } }, { - "pk": 191, + "pk": 112, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51481699876041, @@ -36435,7 +29907,7 @@ } }, { - "pk": 192, + "pk": 113, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53341759177615, @@ -36449,7 +29921,7 @@ } }, { - "pk": 193, + "pk": 114, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53683772888616, @@ -36463,7 +29935,7 @@ } }, { - "pk": 194, + "pk": 115, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52077318783237, @@ -36477,7 +29949,7 @@ } }, { - "pk": 195, + "pk": 116, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50750329547608, @@ -36491,7 +29963,7 @@ } }, { - "pk": 196, + "pk": 117, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52258006166025, @@ -36505,7 +29977,7 @@ } }, { - "pk": 197, + "pk": 118, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52035670993668, @@ -36519,7 +29991,7 @@ } }, { - "pk": 198, + "pk": 119, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53343085007539, @@ -36533,7 +30005,7 @@ } }, { - "pk": 199, + "pk": 120, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53429407301108, @@ -36547,7 +30019,7 @@ } }, { - "pk": 200, + "pk": 121, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51762658111975, @@ -36561,7 +30033,7 @@ } }, { - "pk": 201, + "pk": 122, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51882538433463, @@ -36575,7 +30047,7 @@ } }, { - "pk": 202, + "pk": 123, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52973033777208, @@ -36589,7 +30061,7 @@ } }, { - "pk": 203, + "pk": 124, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5184930382809, @@ -36603,7 +30075,7 @@ } }, { - "pk": 204, + "pk": 125, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51325016583419, @@ -36617,7 +30089,7 @@ } }, { - "pk": 205, + "pk": 126, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53405745524074, @@ -36631,7 +30103,7 @@ } }, { - "pk": 206, + "pk": 127, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5145960118205, @@ -36645,7 +30117,7 @@ } }, { - "pk": 207, + "pk": 128, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52041012902363, @@ -36659,7 +30131,7 @@ } }, { - "pk": 208, + "pk": 129, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52943383933006, @@ -36673,7 +30145,7 @@ } }, { - "pk": 209, + "pk": 130, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52762216257736, @@ -36687,7 +30159,7 @@ } }, { - "pk": 210, + "pk": 131, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53056528241529, @@ -36701,7 +30173,7 @@ } }, { - "pk": 211, + "pk": 132, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52809610911777, @@ -36715,7 +30187,7 @@ } }, { - "pk": 212, + "pk": 133, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5125306666089, @@ -36729,7 +30201,7 @@ } }, { - "pk": 213, + "pk": 134, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51737374328831, @@ -36743,7 +30215,7 @@ } }, { - "pk": 214, + "pk": 135, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51570740216579, @@ -36757,7 +30229,7 @@ } }, { - "pk": 215, + "pk": 136, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52809453171764, @@ -36771,7 +30243,7 @@ } }, { - "pk": 216, + "pk": 137, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50575088829162, @@ -36785,7 +30257,7 @@ } }, { - "pk": 217, + "pk": 138, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50800491162924, @@ -36799,7 +30271,7 @@ } }, { - "pk": 218, + "pk": 139, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52968813135115, @@ -36813,7 +30285,7 @@ } }, { - "pk": 219, + "pk": 140, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52964265903701, @@ -36827,7 +30299,7 @@ } }, { - "pk": 220, + "pk": 141, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52134603695156, @@ -36841,7 +30313,7 @@ } }, { - "pk": 221, + "pk": 142, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51762556445583, @@ -36855,7 +30327,7 @@ } }, { - "pk": 222, + "pk": 143, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5056761389614, @@ -36869,7 +30341,7 @@ } }, { - "pk": 223, + "pk": 144, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.54030498131579, @@ -36883,7 +30355,7 @@ } }, { - "pk": 224, + "pk": 145, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52418351731382, @@ -36897,7 +30369,7 @@ } }, { - "pk": 225, + "pk": 146, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52609573420142, @@ -36911,7 +30383,7 @@ } }, { - "pk": 226, + "pk": 147, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5244523284785, @@ -36925,7 +30397,7 @@ } }, { - "pk": 227, + "pk": 148, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52098126307577, @@ -36939,7 +30411,7 @@ } }, { - "pk": 228, + "pk": 149, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53085447632193, @@ -36953,7 +30425,7 @@ } }, { - "pk": 229, + "pk": 150, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53602315829807, @@ -36967,7 +30439,7 @@ } }, { - "pk": 230, + "pk": 151, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53168536246635, @@ -36981,7 +30453,7 @@ } }, { - "pk": 231, + "pk": 152, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52408301813709, @@ -36995,7 +30467,7 @@ } }, { - "pk": 232, + "pk": 153, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52607220648937, @@ -37009,7 +30481,7 @@ } }, { - "pk": 233, + "pk": 154, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.541882639993, @@ -37023,7 +30495,7 @@ } }, { - "pk": 234, + "pk": 155, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52916263591334, @@ -37037,7 +30509,7 @@ } }, { - "pk": 235, + "pk": 156, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52147052482597, @@ -37051,7 +30523,7 @@ } }, { - "pk": 236, + "pk": 157, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51818515919281, @@ -37065,7 +30537,7 @@ } }, { - "pk": 237, + "pk": 158, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51732151350838, @@ -37079,7 +30551,7 @@ } }, { - "pk": 238, + "pk": 159, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52517276731919, @@ -37093,7 +30565,7 @@ } }, { - "pk": 239, + "pk": 160, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52405806840678, @@ -37107,7 +30579,7 @@ } }, { - "pk": 240, + "pk": 161, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52244726506406, @@ -37121,7 +30593,7 @@ } }, { - "pk": 241, + "pk": 162, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51463087128081, @@ -37135,7 +30607,7 @@ } }, { - "pk": 242, + "pk": 163, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53116869744943, @@ -37149,7 +30621,7 @@ } }, { - "pk": 243, + "pk": 164, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53274500121308, @@ -37163,7 +30635,7 @@ } }, { - "pk": 244, + "pk": 165, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52270182684948, @@ -37177,7 +30649,7 @@ } }, { - "pk": 245, + "pk": 166, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5350015152843, @@ -37191,7 +30663,7 @@ } }, { - "pk": 246, + "pk": 167, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52639572506505, @@ -37205,7 +30677,7 @@ } }, { - "pk": 247, + "pk": 168, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51401658411235, @@ -37219,7 +30691,7 @@ } }, { - "pk": 248, + "pk": 169, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5262108251353, @@ -37233,7 +30705,7 @@ } }, { - "pk": 249, + "pk": 170, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52414521832787, @@ -37247,7 +30719,7 @@ } }, { - "pk": 250, + "pk": 171, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51849495804291, @@ -37261,7 +30733,7 @@ } }, { - "pk": 251, + "pk": 172, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52513111780087, @@ -37275,7 +30747,7 @@ } }, { - "pk": 252, + "pk": 173, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51797398325301, @@ -37289,7 +30761,7 @@ } }, { - "pk": 253, + "pk": 174, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52621450362626, @@ -37303,7 +30775,7 @@ } }, { - "pk": 254, + "pk": 175, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51844849678553, @@ -37317,7 +30789,7 @@ } }, { - "pk": 255, + "pk": 176, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53289626348028, @@ -37331,7 +30803,7 @@ } }, { - "pk": 256, + "pk": 177, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51282588722265, @@ -37345,7 +30817,7 @@ } }, { - "pk": 257, + "pk": 178, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52634488201746, @@ -37359,7 +30831,7 @@ } }, { - "pk": 258, + "pk": 179, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51531563431165, @@ -37373,7 +30845,7 @@ } }, { - "pk": 259, + "pk": 180, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52037590729957, @@ -37387,7 +30859,7 @@ } }, { - "pk": 260, + "pk": 181, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51796351424502, @@ -37401,7 +30873,7 @@ } }, { - "pk": 261, + "pk": 182, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53345602683538, @@ -37415,7 +30887,7 @@ } }, { - "pk": 262, + "pk": 183, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5062552081647, @@ -37429,7 +30901,7 @@ } }, { - "pk": 263, + "pk": 184, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50375688812649, @@ -37443,7 +30915,7 @@ } }, { - "pk": 264, + "pk": 185, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51564661627006, @@ -37457,7 +30929,7 @@ } }, { - "pk": 265, + "pk": 186, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50289108528113, @@ -37471,7 +30943,7 @@ } }, { - "pk": 266, + "pk": 187, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52361171326574, @@ -37485,7 +30957,7 @@ } }, { - "pk": 267, + "pk": 188, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52116337111527, @@ -37499,7 +30971,7 @@ } }, { - "pk": 268, + "pk": 189, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53756121457211, @@ -37513,7 +30985,7 @@ } }, { - "pk": 269, + "pk": 190, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51872910207771, @@ -37527,7 +30999,7 @@ } }, { - "pk": 270, + "pk": 191, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51823287700888, @@ -37541,7 +31013,7 @@ } }, { - "pk": 271, + "pk": 192, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52884266466958, @@ -37555,7 +31027,7 @@ } }, { - "pk": 272, + "pk": 193, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51707282876014, @@ -37569,7 +31041,7 @@ } }, { - "pk": 273, + "pk": 194, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51441329883238, @@ -37583,7 +31055,7 @@ } }, { - "pk": 274, + "pk": 195, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51807155459606, @@ -37597,7 +31069,7 @@ } }, { - "pk": 275, + "pk": 196, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52946796409995, @@ -37611,7 +31083,7 @@ } }, { - "pk": 276, + "pk": 197, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51956650452339, @@ -37625,7 +31097,7 @@ } }, { - "pk": 277, + "pk": 198, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.49673604096078, @@ -37639,7 +31111,7 @@ } }, { - "pk": 278, + "pk": 199, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52997231512407, @@ -37653,7 +31125,7 @@ } }, { - "pk": 279, + "pk": 200, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52611445848517, @@ -37667,7 +31139,7 @@ } }, { - "pk": 280, + "pk": 201, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50738216675561, @@ -37681,7 +31153,7 @@ } }, { - "pk": 281, + "pk": 202, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53284245772114, @@ -37695,7 +31167,7 @@ } }, { - "pk": 282, + "pk": 203, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51220203224618, @@ -37709,7 +31181,7 @@ } }, { - "pk": 283, + "pk": 204, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52585720709154, @@ -37723,7 +31195,7 @@ } }, { - "pk": 284, + "pk": 205, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51491259335377, @@ -37737,7 +31209,7 @@ } }, { - "pk": 285, + "pk": 206, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.533338384761, @@ -37751,7 +31223,7 @@ } }, { - "pk": 286, + "pk": 207, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51672223705097, @@ -37765,7 +31237,7 @@ } }, { - "pk": 287, + "pk": 208, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5272495714492, @@ -37779,7 +31251,7 @@ } }, { - "pk": 288, + "pk": 209, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52111463010829, @@ -37793,7 +31265,7 @@ } }, { - "pk": 289, + "pk": 210, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51862137406009, @@ -37807,7 +31279,7 @@ } }, { - "pk": 290, + "pk": 211, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51898644965855, @@ -37821,7 +31293,7 @@ } }, { - "pk": 291, + "pk": 212, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51910363846644, @@ -37835,7 +31307,7 @@ } }, { - "pk": 292, + "pk": 213, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51518173505588, @@ -37849,7 +31321,7 @@ } }, { - "pk": 293, + "pk": 214, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51166564012171, @@ -37863,7 +31335,7 @@ } }, { - "pk": 294, + "pk": 215, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52218232559385, @@ -37877,7 +31349,7 @@ } }, { - "pk": 295, + "pk": 216, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53047371386407, @@ -37891,7 +31363,7 @@ } }, { - "pk": 296, + "pk": 217, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5183164714738, @@ -37905,7 +31377,7 @@ } }, { - "pk": 297, + "pk": 218, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52858917137522, @@ -37919,7 +31391,7 @@ } }, { - "pk": 298, + "pk": 219, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53166403734468, @@ -37933,7 +31405,7 @@ } }, { - "pk": 299, + "pk": 220, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51523211954508, @@ -37947,7 +31419,7 @@ } }, { - "pk": 300, + "pk": 221, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51875759368807, @@ -37961,7 +31433,7 @@ } }, { - "pk": 301, + "pk": 222, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51379107853834, @@ -37975,7 +31447,7 @@ } }, { - "pk": 302, + "pk": 223, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51925406295251, @@ -37989,7 +31461,7 @@ } }, { - "pk": 303, + "pk": 224, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52073425937513, @@ -38003,7 +31475,7 @@ } }, { - "pk": 304, + "pk": 225, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51894647754848, @@ -38017,7 +31489,7 @@ } }, { - "pk": 305, + "pk": 226, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51824591495816, @@ -38031,7 +31503,7 @@ } }, { - "pk": 306, + "pk": 227, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51305891178712, @@ -38045,7 +31517,7 @@ } }, { - "pk": 307, + "pk": 228, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52861061002828, @@ -38059,7 +31531,7 @@ } }, { - "pk": 308, + "pk": 229, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5333791437097, @@ -38073,7 +31545,7 @@ } }, { - "pk": 309, + "pk": 230, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52792219035983, @@ -38087,7 +31559,7 @@ } }, { - "pk": 310, + "pk": 231, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52181602646207, @@ -38101,7 +31573,7 @@ } }, { - "pk": 311, + "pk": 232, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.50573881112106, @@ -38115,7 +31587,7 @@ } }, { - "pk": 312, + "pk": 233, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.53069109730966, @@ -38129,7 +31601,7 @@ } }, { - "pk": 313, + "pk": 234, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52628998783816, @@ -38143,7 +31615,7 @@ } }, { - "pk": 314, + "pk": 235, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52611627241809, @@ -38157,7 +31629,7 @@ } }, { - "pk": 315, + "pk": 236, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52289464870839, @@ -38171,7 +31643,7 @@ } }, { - "pk": 316, + "pk": 237, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.51726678233767, @@ -38185,7 +31657,7 @@ } }, { - "pk": 317, + "pk": 238, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52778188560786, @@ -38199,7 +31671,7 @@ } }, { - "pk": 318, + "pk": 239, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52029109807297, @@ -38213,7 +31685,7 @@ } }, { - "pk": 319, + "pk": 240, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52463388080741, @@ -38227,7 +31699,7 @@ } }, { - "pk": 320, + "pk": 241, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5181428355499, @@ -38241,7 +31713,7 @@ } }, { - "pk": 321, + "pk": 242, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5268210779638, @@ -38255,7 +31727,7 @@ } }, { - "pk": 322, + "pk": 243, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52149243275263, @@ -38269,7 +31741,7 @@ } }, { - "pk": 323, + "pk": 244, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52184254493254, @@ -38283,7 +31755,7 @@ } }, { - "pk": 324, + "pk": 245, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.52589720606559, @@ -38297,7 +31769,7 @@ } }, { - "pk": 325, + "pk": 246, "model": "pgd_core.sidechain_lys", "fields": { "CD_CE": 1.5266917321117, @@ -38325,6 +31797,18 @@ { "pk": 2, "model": "pgd_core.sidechain_met", + "fields": { + "CG_SD": 1.81998566538696, + "CB_CG": 1.52073545342156, + "CB_CG_SD": 113.303613216617, + "SD_CE": 1.78673040215193, + "CA_CB_CG": 115.15590162088, + "CG_SD_CE": 99.9178436720185 + } +}, +{ + "pk": 3, + "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.88783304004947, "CB_CG": 1.53692804449931, @@ -38335,7 +31819,7 @@ } }, { - "pk": 3, + "pk": 4, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80158360973671, @@ -38347,7 +31831,7 @@ } }, { - "pk": 4, + "pk": 5, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82437824027997, @@ -38358,33 +31842,9 @@ "CG_SD_CE": 97.4143249176205 } }, -{ - "pk": 5, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.82191529098239, - "CB_CG": 1.49823868372809, - "CB_CG_SD": 111.147214601317, - "SD_CE": 1.78454880126268, - "CA_CB_CG": 115.424916466506, - "CG_SD_CE": 100.410649702973 - } -}, { "pk": 6, "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.81998566538696, - "CB_CG": 1.52073545342156, - "CB_CG_SD": 113.303613216617, - "SD_CE": 1.78673040215193, - "CA_CB_CG": 115.15590162088, - "CG_SD_CE": 99.9178436720185 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81583483609557, "CB_CG": 1.50708320941985, @@ -38395,7 +31855,7 @@ } }, { - "pk": 8, + "pk": 7, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.83972437525921, @@ -38406,6 +31866,18 @@ "CG_SD_CE": 105.318034678859 } }, +{ + "pk": 8, + "model": "pgd_core.sidechain_met", + "fields": { + "CG_SD": 1.82191529098239, + "CB_CG": 1.49823868372809, + "CB_CG_SD": 111.147214601317, + "SD_CE": 1.78454880126268, + "CA_CB_CG": 115.424916466506, + "CG_SD_CE": 100.410649702973 + } +}, { "pk": 9, "model": "pgd_core.sidechain_met", @@ -38446,101 +31918,89 @@ "pk": 12, "model": "pgd_core.sidechain_met", "fields": { - "CG_SD": 1.77649465842826, - "CB_CG": 1.50054967097354, - "CB_CG_SD": 110.369465102458, - "SD_CE": 1.82504797700761, - "CA_CB_CG": 112.878935897937, - "CG_SD_CE": 101.683890593931 + "CG_SD": 1.85537496101002, + "CB_CG": 1.54639919304451, + "CB_CG_SD": 113.762465234941, + "SD_CE": 1.82124026310515, + "CA_CB_CG": 115.532665309742, + "CG_SD_CE": 101.699112675816 } }, { "pk": 13, "model": "pgd_core.sidechain_met", "fields": { - "CG_SD": 1.78251823720382, - "CB_CG": 1.52064613913557, - "CB_CG_SD": 113.933867824277, - "SD_CE": 1.84583327836248, - "CA_CB_CG": 114.275547042973, - "CG_SD_CE": 100.500243172009 + "CG_SD": 1.77325510917628, + "CB_CG": 1.46460431948192, + "CB_CG_SD": 110.640072681748, + "SD_CE": 1.71014605986692, + "CA_CB_CG": 112.103161135373, + "CG_SD_CE": 92.9760215563224 } }, { "pk": 14, "model": "pgd_core.sidechain_met", "fields": { - "CG_SD": 1.8172242735802, - "CB_CG": 1.49640879074799, - "CB_CG_SD": 112.945697977584, - "SD_CE": 1.74030489435727, - "CA_CB_CG": 112.512481766375, - "CG_SD_CE": 98.7090315355943 + "CG_SD": 1.81456309667357, + "CB_CG": 1.54538639685912, + "CB_CG_SD": 112.255424713513, + "SD_CE": 1.79191245670353, + "CA_CB_CG": 114.13991282586, + "CG_SD_CE": 99.7254792764037 } }, { "pk": 15, "model": "pgd_core.sidechain_met", "fields": { - "CG_SD": 1.76146671100642, - "CB_CG": 1.49653857201956, - "CB_CG_SD": 111.776408458986, - "SD_CE": 1.75357568460378, - "CA_CB_CG": 110.982478529972, - "CG_SD_CE": 99.0371834287663 + "CG_SD": 1.83186285553844, + "CB_CG": 1.52670902986938, + "CB_CG_SD": 117.12419153773, + "SD_CE": 1.76592618042793, + "CA_CB_CG": 115.146549011386, + "CG_SD_CE": 102.96795364408 } }, { "pk": 16, "model": "pgd_core.sidechain_met", "fields": { - "CG_SD": 1.81087884748699, - "CB_CG": 1.5266102219482, - "CB_CG_SD": 112.817894838993, - "SD_CE": 1.82607458318285, - "CA_CB_CG": 110.703917050286, - "CG_SD_CE": 101.04835430285 + "CG_SD": 1.81083095731864, + "CB_CG": 1.51816756571406, + "CB_CG_SD": 112.836764671635, + "SD_CE": 1.86312103220716, + "CA_CB_CG": 116.16747522755, + "CG_SD_CE": 101.579203808355 } }, { "pk": 17, "model": "pgd_core.sidechain_met", "fields": { - "CG_SD": 1.79759237612423, - "CB_CG": 1.49548234307346, - "CB_CG_SD": 108.508949606897, - "SD_CE": 1.82658926544909, - "CA_CB_CG": 115.122628929796, - "CG_SD_CE": 99.7491988388932 + "CG_SD": 1.84159120950419, + "CB_CG": 1.52872297137803, + "CB_CG_SD": 114.341783259936, + "SD_CE": 1.79051620954625, + "CA_CB_CG": 113.615775487111, + "CG_SD_CE": 99.5427570709486 } }, { "pk": 18, "model": "pgd_core.sidechain_met", "fields": { - "CG_SD": 1.81723420509262, - "CB_CG": 1.54346560120043, - "CB_CG_SD": 115.208829899988, - "SD_CE": 1.7225783491591, - "CA_CB_CG": 115.995591542198, - "CG_SD_CE": 100.848605571691 + "CG_SD": 1.81016304419446, + "CB_CG": 1.52029333401281, + "CB_CG_SD": 111.91814658126, + "SD_CE": 1.70786989959266, + "CA_CB_CG": 113.550069599988, + "CG_SD_CE": 101.286476721625 } }, { "pk": 19, "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.81276286178162, - "CB_CG": 1.54854830515413, - "CB_CG_SD": 114.535184135453, - "SD_CE": 1.76613656702538, - "CA_CB_CG": 113.740607073661, - "CG_SD_CE": 101.966678346418 - } -}, -{ - "pk": 20, - "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80244439643678, "CB_CG": 1.52009350566636, @@ -38551,7 +32011,7 @@ } }, { - "pk": 21, + "pk": 20, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81237784263107, @@ -38563,19 +32023,7 @@ } }, { - "pk": 22, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.77575070733142, - "CB_CG": 1.52055554021338, - "CB_CG_SD": 113.449719756502, - "SD_CE": 1.7384001702057, - "CA_CB_CG": 112.996549414213, - "CG_SD_CE": 100.025014940214 - } -}, -{ - "pk": 23, + "pk": 21, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78603298429053, @@ -38587,7 +32035,7 @@ } }, { - "pk": 24, + "pk": 22, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78263060118945, @@ -38599,31 +32047,7 @@ } }, { - "pk": 25, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.79417069988592, - "CB_CG": 1.50530141445789, - "CB_CG_SD": 111.876349177229, - "SD_CE": 1.85732291689989, - "CA_CB_CG": 112.412617122947, - "CG_SD_CE": 101.59926135287 - } -}, -{ - "pk": 26, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.78931699904051, - "CB_CG": 1.48837964588843, - "CB_CG_SD": 102.270170914629, - "SD_CE": 1.77096709957031, - "CA_CB_CG": 115.733626511659, - "CG_SD_CE": 98.540297505822 - } -}, -{ - "pk": 27, + "pk": 23, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79906951314547, @@ -38635,31 +32059,7 @@ } }, { - "pk": 28, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.83762580753222, - "CB_CG": 1.49404765203717, - "CB_CG_SD": 114.926167214055, - "SD_CE": 1.79820412512779, - "CA_CB_CG": 115.710703265305, - "CG_SD_CE": 97.4915260004812 - } -}, -{ - "pk": 29, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.7981429922634, - "CB_CG": 1.51367509433515, - "CB_CG_SD": 112.842151898523, - "SD_CE": 1.8564446339097, - "CA_CB_CG": 114.348723817566, - "CG_SD_CE": 98.7824479837075 - } -}, -{ - "pk": 30, + "pk": 24, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.76855344704578, @@ -38671,31 +32071,7 @@ } }, { - "pk": 31, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.70198873052952, - "CB_CG": 1.49856190375776, - "CB_CG_SD": 117.586978218412, - "SD_CE": 1.69765400298182, - "CA_CB_CG": 107.930746521762, - "CG_SD_CE": 105.215092485057 - } -}, -{ - "pk": 32, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.80593976822346, - "CB_CG": 1.53659176380145, - "CB_CG_SD": 111.959625384361, - "SD_CE": 1.8345666223983, - "CA_CB_CG": 114.653821039221, - "CG_SD_CE": 97.8635067504574 - } -}, -{ - "pk": 33, + "pk": 25, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80070857067721, @@ -38707,31 +32083,7 @@ } }, { - "pk": 34, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.83264314408464, - "CB_CG": 1.51221940521631, - "CB_CG_SD": 111.779310720595, - "SD_CE": 1.61326078835022, - "CA_CB_CG": 112.92994312355, - "CG_SD_CE": 99.5637154317916 - } -}, -{ - "pk": 35, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.80780292062429, - "CB_CG": 1.50824789392851, - "CB_CG_SD": 114.965467219981, - "SD_CE": 1.78642058192345, - "CA_CB_CG": 114.401747512901, - "CG_SD_CE": 100.850991076573 - } -}, -{ - "pk": 36, + "pk": 26, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80844097289613, @@ -38743,19 +32095,7 @@ } }, { - "pk": 37, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.81630696660977, - "CB_CG": 1.51982858437517, - "CB_CG_SD": 109.111528709884, - "SD_CE": 1.75727938363262, - "CA_CB_CG": 114.005074073154, - "CG_SD_CE": 99.3073140595241 - } -}, -{ - "pk": 38, + "pk": 27, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.84011832997975, @@ -38767,7 +32107,7 @@ } }, { - "pk": 39, + "pk": 28, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80122138770156, @@ -38779,7 +32119,7 @@ } }, { - "pk": 40, + "pk": 29, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.77649242555101, @@ -38791,7 +32131,7 @@ } }, { - "pk": 41, + "pk": 30, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79628965496583, @@ -38803,7 +32143,7 @@ } }, { - "pk": 42, + "pk": 31, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.77735347930995, @@ -38815,31 +32155,7 @@ } }, { - "pk": 43, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.81020329050284, - "CB_CG": 1.51430815902888, - "CB_CG_SD": 109.410919835911, - "SD_CE": 1.88724896704395, - "CA_CB_CG": 111.249041343189, - "CG_SD_CE": 99.293666012874 - } -}, -{ - "pk": 44, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.7974171151737, - "CB_CG": 1.53350888445652, - "CB_CG_SD": 113.445310401357, - "SD_CE": 1.83488645472506, - "CA_CB_CG": 114.658309255563, - "CG_SD_CE": 100.416568780946 - } -}, -{ - "pk": 45, + "pk": 32, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81888567132714, @@ -38851,7 +32167,7 @@ } }, { - "pk": 46, + "pk": 33, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.77558095450278, @@ -38863,19 +32179,7 @@ } }, { - "pk": 47, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.79340963291615, - "CB_CG": 1.52151544371172, - "CB_CG_SD": 115.481563845879, - "SD_CE": 1.6616935456774, - "CA_CB_CG": 114.719702584627, - "CG_SD_CE": 100.622464632992 - } -}, -{ - "pk": 48, + "pk": 34, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82431614062803, @@ -38887,55 +32191,7 @@ } }, { - "pk": 49, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.80437095206893, - "CB_CG": 1.51600553309269, - "CB_CG_SD": 107.949795650336, - "SD_CE": 1.83677312064589, - "CA_CB_CG": 115.053012477879, - "CG_SD_CE": 99.3873341221989 - } -}, -{ - "pk": 50, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.76729693965944, - "CB_CG": 1.52699123133732, - "CB_CG_SD": 114.727758515214, - "SD_CE": 1.75024795751965, - "CA_CB_CG": 112.982138172876, - "CG_SD_CE": 101.744724898457 - } -}, -{ - "pk": 51, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.73658139955531, - "CB_CG": 1.46986070186571, - "CB_CG_SD": 112.89780983868, - "SD_CE": 1.78132548558589, - "CA_CB_CG": 115.033540376736, - "CG_SD_CE": 104.786757078469 - } -}, -{ - "pk": 52, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.83688449808833, - "CB_CG": 1.53497893863316, - "CB_CG_SD": 116.344461572261, - "SD_CE": 1.7998514122007, - "CA_CB_CG": 113.520718419297, - "CG_SD_CE": 100.986254215275 - } -}, -{ - "pk": 53, + "pk": 35, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81673308262988, @@ -38947,7 +32203,7 @@ } }, { - "pk": 54, + "pk": 36, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78816426738815, @@ -38959,19 +32215,7 @@ } }, { - "pk": 55, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.85886947553433, - "CB_CG": 1.53378739048679, - "CB_CG_SD": 115.205249505735, - "SD_CE": 1.84070235559639, - "CA_CB_CG": 115.015459752424, - "CG_SD_CE": 98.4183232924918 - } -}, -{ - "pk": 56, + "pk": 37, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79580312264251, @@ -38983,7 +32227,7 @@ } }, { - "pk": 57, + "pk": 38, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79044277556224, @@ -38995,7 +32239,7 @@ } }, { - "pk": 58, + "pk": 39, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80036754965896, @@ -39007,19 +32251,7 @@ } }, { - "pk": 59, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.80969644043284, - "CB_CG": 1.53773215201567, - "CB_CG_SD": 111.490391581832, - "SD_CE": 1.74327168943098, - "CA_CB_CG": 113.684115868456, - "CG_SD_CE": 100.350897574423 - } -}, -{ - "pk": 60, + "pk": 40, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.86727333006015, @@ -39031,31 +32263,7 @@ } }, { - "pk": 61, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.85537496101002, - "CB_CG": 1.54639919304451, - "CB_CG_SD": 113.762465234941, - "SD_CE": 1.82124026310515, - "CA_CB_CG": 115.532665309742, - "CG_SD_CE": 101.699112675816 - } -}, -{ - "pk": 62, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.77325510917628, - "CB_CG": 1.46460431948192, - "CB_CG_SD": 110.640072681748, - "SD_CE": 1.71014605986692, - "CA_CB_CG": 112.103161135373, - "CG_SD_CE": 92.9760215563224 - } -}, -{ - "pk": 63, + "pk": 41, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82418986538998, @@ -39067,7 +32275,7 @@ } }, { - "pk": 64, + "pk": 42, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78925512930391, @@ -39079,67 +32287,7 @@ } }, { - "pk": 65, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.81456309667357, - "CB_CG": 1.54538639685912, - "CB_CG_SD": 112.255424713513, - "SD_CE": 1.79191245670353, - "CA_CB_CG": 114.13991282586, - "CG_SD_CE": 99.7254792764037 - } -}, -{ - "pk": 66, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.83186285553844, - "CB_CG": 1.52670902986938, - "CB_CG_SD": 117.12419153773, - "SD_CE": 1.76592618042793, - "CA_CB_CG": 115.146549011386, - "CG_SD_CE": 102.96795364408 - } -}, -{ - "pk": 67, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.81083095731864, - "CB_CG": 1.51816756571406, - "CB_CG_SD": 112.836764671635, - "SD_CE": 1.86312103220716, - "CA_CB_CG": 116.16747522755, - "CG_SD_CE": 101.579203808355 - } -}, -{ - "pk": 68, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.84159120950419, - "CB_CG": 1.52872297137803, - "CB_CG_SD": 114.341783259936, - "SD_CE": 1.79051620954625, - "CA_CB_CG": 113.615775487111, - "CG_SD_CE": 99.5427570709486 - } -}, -{ - "pk": 69, - "model": "pgd_core.sidechain_met", - "fields": { - "CG_SD": 1.81016304419446, - "CB_CG": 1.52029333401281, - "CB_CG_SD": 111.91814658126, - "SD_CE": 1.70786989959266, - "CA_CB_CG": 113.550069599988, - "CG_SD_CE": 101.286476721625 - } -}, -{ - "pk": 70, + "pk": 43, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.83354664431589, @@ -39151,7 +32299,7 @@ } }, { - "pk": 71, + "pk": 44, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80410142320245, @@ -39163,7 +32311,7 @@ } }, { - "pk": 72, + "pk": 45, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.77189146716863, @@ -39175,7 +32323,7 @@ } }, { - "pk": 73, + "pk": 46, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80495766237976, @@ -39187,7 +32335,7 @@ } }, { - "pk": 74, + "pk": 47, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.7764742168712, @@ -39199,7 +32347,7 @@ } }, { - "pk": 75, + "pk": 48, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81247974844206, @@ -39211,7 +32359,7 @@ } }, { - "pk": 76, + "pk": 49, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78792234214797, @@ -39223,7 +32371,7 @@ } }, { - "pk": 77, + "pk": 50, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80648244977271, @@ -39235,7 +32383,7 @@ } }, { - "pk": 78, + "pk": 51, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81859052524278, @@ -39247,7 +32395,7 @@ } }, { - "pk": 79, + "pk": 52, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.8184339292949, @@ -39259,7 +32407,7 @@ } }, { - "pk": 80, + "pk": 53, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78666859342672, @@ -39271,7 +32419,7 @@ } }, { - "pk": 81, + "pk": 54, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81625138594863, @@ -39283,7 +32431,7 @@ } }, { - "pk": 82, + "pk": 55, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.77846092084457, @@ -39295,7 +32443,7 @@ } }, { - "pk": 83, + "pk": 56, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81810941008264, @@ -39307,7 +32455,7 @@ } }, { - "pk": 84, + "pk": 57, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.84142710107238, @@ -39319,7 +32467,7 @@ } }, { - "pk": 85, + "pk": 58, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78199184992234, @@ -39331,7 +32479,7 @@ } }, { - "pk": 86, + "pk": 59, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79472970881899, @@ -39343,7 +32491,7 @@ } }, { - "pk": 87, + "pk": 60, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.7977134857123, @@ -39355,7 +32503,7 @@ } }, { - "pk": 88, + "pk": 61, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79606833391352, @@ -39367,7 +32515,7 @@ } }, { - "pk": 89, + "pk": 62, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79480462392513, @@ -39379,7 +32527,7 @@ } }, { - "pk": 90, + "pk": 63, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.7856985149718, @@ -39391,7 +32539,7 @@ } }, { - "pk": 91, + "pk": 64, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.8043115060678, @@ -39403,7 +32551,7 @@ } }, { - "pk": 92, + "pk": 65, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82684138398036, @@ -39415,7 +32563,7 @@ } }, { - "pk": 93, + "pk": 66, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79046471794247, @@ -39427,7 +32575,7 @@ } }, { - "pk": 94, + "pk": 67, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81526523429046, @@ -39439,7 +32587,7 @@ } }, { - "pk": 95, + "pk": 68, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78666022723638, @@ -39451,7 +32599,7 @@ } }, { - "pk": 96, + "pk": 69, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79657548431732, @@ -39463,7 +32611,7 @@ } }, { - "pk": 97, + "pk": 70, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81509340451082, @@ -39475,7 +32623,7 @@ } }, { - "pk": 98, + "pk": 71, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79511832885307, @@ -39487,7 +32635,7 @@ } }, { - "pk": 99, + "pk": 72, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.83661471993273, @@ -39499,7 +32647,7 @@ } }, { - "pk": 100, + "pk": 73, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.84344500347671, @@ -39511,7 +32659,7 @@ } }, { - "pk": 101, + "pk": 74, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80059747916386, @@ -39523,7 +32671,7 @@ } }, { - "pk": 102, + "pk": 75, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79710931774709, @@ -39535,7 +32683,7 @@ } }, { - "pk": 103, + "pk": 76, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.77873254606164, @@ -39547,7 +32695,7 @@ } }, { - "pk": 104, + "pk": 77, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78343587661405, @@ -39559,7 +32707,7 @@ } }, { - "pk": 105, + "pk": 78, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80148105235422, @@ -39571,7 +32719,7 @@ } }, { - "pk": 106, + "pk": 79, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82989706350063, @@ -39583,7 +32731,7 @@ } }, { - "pk": 107, + "pk": 80, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.78073984814015, @@ -39595,7 +32743,7 @@ } }, { - "pk": 108, + "pk": 81, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82929086484063, @@ -39607,7 +32755,7 @@ } }, { - "pk": 109, + "pk": 82, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81775349170395, @@ -39619,7 +32767,7 @@ } }, { - "pk": 110, + "pk": 83, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81471508262122, @@ -39631,7 +32779,7 @@ } }, { - "pk": 111, + "pk": 84, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80966127999023, @@ -39643,7 +32791,7 @@ } }, { - "pk": 112, + "pk": 85, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80815270076284, @@ -39655,7 +32803,7 @@ } }, { - "pk": 113, + "pk": 86, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.76175137590287, @@ -39667,7 +32815,7 @@ } }, { - "pk": 114, + "pk": 87, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80909648587766, @@ -39679,7 +32827,7 @@ } }, { - "pk": 115, + "pk": 88, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79918217363319, @@ -39691,7 +32839,7 @@ } }, { - "pk": 116, + "pk": 89, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81532583386235, @@ -39703,7 +32851,7 @@ } }, { - "pk": 117, + "pk": 90, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80448328642432, @@ -39715,7 +32863,7 @@ } }, { - "pk": 118, + "pk": 91, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.7824191916646, @@ -39727,7 +32875,7 @@ } }, { - "pk": 119, + "pk": 92, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80549443303078, @@ -39739,7 +32887,7 @@ } }, { - "pk": 120, + "pk": 93, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81097457932989, @@ -39751,7 +32899,7 @@ } }, { - "pk": 121, + "pk": 94, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80322374975199, @@ -39763,7 +32911,7 @@ } }, { - "pk": 122, + "pk": 95, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.7723011879688, @@ -39775,7 +32923,7 @@ } }, { - "pk": 123, + "pk": 96, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.83440745730745, @@ -39787,7 +32935,7 @@ } }, { - "pk": 124, + "pk": 97, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82016931193236, @@ -39799,7 +32947,7 @@ } }, { - "pk": 125, + "pk": 98, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.7825960772779, @@ -39811,7 +32959,7 @@ } }, { - "pk": 126, + "pk": 99, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.8179362516579, @@ -39823,7 +32971,7 @@ } }, { - "pk": 127, + "pk": 100, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79551054382274, @@ -39835,7 +32983,7 @@ } }, { - "pk": 128, + "pk": 101, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.83196305420595, @@ -39847,7 +32995,7 @@ } }, { - "pk": 129, + "pk": 102, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80366198913526, @@ -39859,7 +33007,7 @@ } }, { - "pk": 130, + "pk": 103, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79083116133872, @@ -39871,7 +33019,7 @@ } }, { - "pk": 131, + "pk": 104, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.82553515735767, @@ -39883,7 +33031,7 @@ } }, { - "pk": 132, + "pk": 105, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80268643303687, @@ -39895,7 +33043,7 @@ } }, { - "pk": 133, + "pk": 106, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.75955558413001, @@ -39907,7 +33055,7 @@ } }, { - "pk": 134, + "pk": 107, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79400083625918, @@ -39919,7 +33067,7 @@ } }, { - "pk": 135, + "pk": 108, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81112917793087, @@ -39931,7 +33079,7 @@ } }, { - "pk": 136, + "pk": 109, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.80643428152915, @@ -39943,7 +33091,7 @@ } }, { - "pk": 137, + "pk": 110, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.79021836738192, @@ -39955,7 +33103,7 @@ } }, { - "pk": 138, + "pk": 111, "model": "pgd_core.sidechain_met", "fields": { "CG_SD": 1.81002808139461, @@ -39991,94 +33139,6 @@ { "pk": 2, "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39867729326169, - "CD1_CG_CD2": 117.936163271634, - "CG_CD1": 1.39778454145985, - "CB_CG": 1.5321363232993, - "CB_CG_CD2": 121.592427620238, - "CB_CG_CD1": 120.415742315438, - "CG_CD2_CE2": 121.073265017105, - "CD2_CE2": 1.38569019578552, - "CZ_CE2_CD2": 119.125246103789, - "CZ_CE1": 1.36163147301724, - "CZ_CE2": 1.37490954737897, - "CE1_CZ_CE2": 120.834670142416, - "CG_CD1_CE1": 120.261886070635, - "CD1_CE1": 1.37760872120993, - "CZ_CE1_CD1": 120.703360675485, - "CA_CB_CG": 111.732843663252 - } -}, -{ - "pk": 3, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.3829181188175, - "CD1_CG_CD2": 117.693719215094, - "CG_CD1": 1.40452328832886, - "CB_CG": 1.51510075253652, - "CB_CG_CD2": 121.674253029323, - "CB_CG_CD1": 120.602058351687, - "CG_CD2_CE2": 121.39713421298, - "CD2_CE2": 1.40407343442833, - "CZ_CE2_CD2": 119.63232238515, - "CZ_CE1": 1.36906886820481, - "CZ_CE2": 1.37419681700574, - "CE1_CZ_CE2": 119.812867389477, - "CG_CD1_CE1": 120.384791134846, - "CD1_CE1": 1.38982697791001, - "CZ_CE1_CD1": 120.974404566934, - "CA_CB_CG": 114.021934947012 - } -}, -{ - "pk": 4, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.36298728754159, - "CD1_CG_CD2": 117.739020488662, - "CG_CD1": 1.38815335789024, - "CB_CG": 1.52883622095077, - "CB_CG_CD2": 121.546894884007, - "CB_CG_CD1": 120.711253238238, - "CG_CD2_CE2": 122.125754131443, - "CD2_CE2": 1.38049911901605, - "CZ_CE2_CD2": 119.598713147387, - "CZ_CE1": 1.36118987760302, - "CZ_CE2": 1.37496653862622, - "CE1_CZ_CE2": 118.948219732115, - "CG_CD1_CE1": 120.18306777853, - "CD1_CE1": 1.37877094711693, - "CZ_CE1_CD1": 121.331157846549, - "CA_CB_CG": 113.761906520688 - } -}, -{ - "pk": 5, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39334976537029, - "CD1_CG_CD2": 118.189396384064, - "CG_CD1": 1.37116337864631, - "CB_CG": 1.51852872557441, - "CB_CG_CD2": 120.063558567506, - "CB_CG_CD1": 121.73885388523, - "CG_CD2_CE2": 119.328698714356, - "CD2_CE2": 1.39756216541088, - "CZ_CE2_CD2": 121.583392244259, - "CZ_CE1": 1.38041281673893, - "CZ_CE2": 1.38090695269764, - "CE1_CZ_CE2": 118.469440378777, - "CG_CD1_CE1": 122.517769016262, - "CD1_CE1": 1.38228168352032, - "CZ_CE1_CD1": 119.716072694024, - "CA_CB_CG": 114.994803999069 - } -}, -{ - "pk": 6, - "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39882546919086, "CD1_CG_CD2": 118.625456255494, @@ -40099,7 +33159,7 @@ } }, { - "pk": 7, + "pk": 3, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.40592026999189, @@ -40121,7 +33181,7 @@ } }, { - "pk": 8, + "pk": 4, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.40202518503108, @@ -40143,7 +33203,7 @@ } }, { - "pk": 9, + "pk": 5, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38812182797655, @@ -40165,51 +33225,29 @@ } }, { - "pk": 10, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39676902875085, - "CD1_CG_CD2": 118.717419137521, - "CG_CD1": 1.37954981857683, - "CB_CG": 1.52471203782192, - "CB_CG_CD2": 120.164783086454, - "CB_CG_CD1": 121.021315651489, - "CG_CD2_CE2": 121.408088197958, - "CD2_CE2": 1.40979688932443, - "CZ_CE2_CD2": 119.719732638361, - "CZ_CE1": 1.39500631904725, - "CZ_CE2": 1.377353129476, - "CE1_CZ_CE2": 120.328111043194, - "CG_CD1_CE1": 120.532017396955, - "CD1_CE1": 1.43699381478912, - "CZ_CE1_CD1": 119.29269771363, - "CA_CB_CG": 115.084313179817 - } -}, -{ - "pk": 11, + "pk": 6, "model": "pgd_core.sidechain_phe", "fields": { - "CG_CD2": 1.38610721524674, - "CD1_CG_CD2": 118.749042545289, - "CG_CD1": 1.40724420273384, - "CB_CG": 1.50673757930214, - "CB_CG_CD2": 121.106711681448, - "CB_CG_CD1": 120.115897688197, - "CG_CD2_CE2": 120.29953820906, - "CD2_CE2": 1.40739872435549, - "CZ_CE2_CD2": 119.930866809941, - "CZ_CE1": 1.42225297346212, - "CZ_CE2": 1.36889571875754, - "CE1_CZ_CE2": 119.94873773549, - "CG_CD1_CE1": 121.49794012588, - "CD1_CE1": 1.35234387034861, - "CZ_CE1_CD1": 119.572870262463, - "CA_CB_CG": 114.459490332153 + "CG_CD2": 1.39867729326169, + "CD1_CG_CD2": 117.936163271634, + "CG_CD1": 1.39778454145985, + "CB_CG": 1.5321363232993, + "CB_CG_CD2": 121.592427620238, + "CB_CG_CD1": 120.415742315438, + "CG_CD2_CE2": 121.073265017105, + "CD2_CE2": 1.38569019578552, + "CZ_CE2_CD2": 119.125246103789, + "CZ_CE1": 1.36163147301724, + "CZ_CE2": 1.37490954737897, + "CE1_CZ_CE2": 120.834670142416, + "CG_CD1_CE1": 120.261886070635, + "CD1_CE1": 1.37760872120993, + "CZ_CE1_CD1": 120.703360675485, + "CA_CB_CG": 111.732843663252 } }, { - "pk": 12, + "pk": 7, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.40839943709073, @@ -40231,7 +33269,29 @@ } }, { - "pk": 13, + "pk": 8, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.3829181188175, + "CD1_CG_CD2": 117.693719215094, + "CG_CD1": 1.40452328832886, + "CB_CG": 1.51510075253652, + "CB_CG_CD2": 121.674253029323, + "CB_CG_CD1": 120.602058351687, + "CG_CD2_CE2": 121.39713421298, + "CD2_CE2": 1.40407343442833, + "CZ_CE2_CD2": 119.63232238515, + "CZ_CE1": 1.36906886820481, + "CZ_CE2": 1.37419681700574, + "CE1_CZ_CE2": 119.812867389477, + "CG_CD1_CE1": 120.384791134846, + "CD1_CE1": 1.38982697791001, + "CZ_CE1_CD1": 120.974404566934, + "CA_CB_CG": 114.021934947012 + } +}, +{ + "pk": 9, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38399723028709, @@ -40253,7 +33313,51 @@ } }, { - "pk": 14, + "pk": 10, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.39676902875085, + "CD1_CG_CD2": 118.717419137521, + "CG_CD1": 1.37954981857683, + "CB_CG": 1.52471203782192, + "CB_CG_CD2": 120.164783086454, + "CB_CG_CD1": 121.021315651489, + "CG_CD2_CE2": 121.408088197958, + "CD2_CE2": 1.40979688932443, + "CZ_CE2_CD2": 119.719732638361, + "CZ_CE1": 1.39500631904725, + "CZ_CE2": 1.377353129476, + "CE1_CZ_CE2": 120.328111043194, + "CG_CD1_CE1": 120.532017396955, + "CD1_CE1": 1.43699381478912, + "CZ_CE1_CD1": 119.29269771363, + "CA_CB_CG": 115.084313179817 + } +}, +{ + "pk": 11, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.36298728754159, + "CD1_CG_CD2": 117.739020488662, + "CG_CD1": 1.38815335789024, + "CB_CG": 1.52883622095077, + "CB_CG_CD2": 121.546894884007, + "CB_CG_CD1": 120.711253238238, + "CG_CD2_CE2": 122.125754131443, + "CD2_CE2": 1.38049911901605, + "CZ_CE2_CD2": 119.598713147387, + "CZ_CE1": 1.36118987760302, + "CZ_CE2": 1.37496653862622, + "CE1_CZ_CE2": 118.948219732115, + "CG_CD1_CE1": 120.18306777853, + "CD1_CE1": 1.37877094711693, + "CZ_CE1_CD1": 121.331157846549, + "CA_CB_CG": 113.761906520688 + } +}, +{ + "pk": 12, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39749998502044, @@ -40274,6 +33378,50 @@ "CA_CB_CG": 113.883783642384 } }, +{ + "pk": 13, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.39334976537029, + "CD1_CG_CD2": 118.189396384064, + "CG_CD1": 1.37116337864631, + "CB_CG": 1.51852872557441, + "CB_CG_CD2": 120.063558567506, + "CB_CG_CD1": 121.73885388523, + "CG_CD2_CE2": 119.328698714356, + "CD2_CE2": 1.39756216541088, + "CZ_CE2_CD2": 121.583392244259, + "CZ_CE1": 1.38041281673893, + "CZ_CE2": 1.38090695269764, + "CE1_CZ_CE2": 118.469440378777, + "CG_CD1_CE1": 122.517769016262, + "CD1_CE1": 1.38228168352032, + "CZ_CE1_CD1": 119.716072694024, + "CA_CB_CG": 114.994803999069 + } +}, +{ + "pk": 14, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.38610721524674, + "CD1_CG_CD2": 118.749042545289, + "CG_CD1": 1.40724420273384, + "CB_CG": 1.50673757930214, + "CB_CG_CD2": 121.106711681448, + "CB_CG_CD1": 120.115897688197, + "CG_CD2_CE2": 120.29953820906, + "CD2_CE2": 1.40739872435549, + "CZ_CE2_CD2": 119.930866809941, + "CZ_CE1": 1.42225297346212, + "CZ_CE2": 1.36889571875754, + "CE1_CZ_CE2": 119.94873773549, + "CG_CD1_CE1": 121.49794012588, + "CD1_CE1": 1.35234387034861, + "CZ_CE1_CD1": 119.572870262463, + "CA_CB_CG": 114.459490332153 + } +}, { "pk": 15, "model": "pgd_core.sidechain_phe", @@ -40432,93 +33580,225 @@ "pk": 22, "model": "pgd_core.sidechain_phe", "fields": { - "CG_CD2": 1.37993711600088, - "CD1_CG_CD2": 118.509990175944, - "CG_CD1": 1.38927998438969, - "CB_CG": 1.50538314868102, - "CB_CG_CD2": 120.487985577823, - "CB_CG_CD1": 120.99941600055, - "CG_CD2_CE2": 120.689805163222, - "CD2_CE2": 1.38740766806996, - "CZ_CE2_CD2": 120.188599414274, - "CZ_CE1": 1.36149451209299, - "CZ_CE2": 1.39774397614884, - "CE1_CZ_CE2": 119.599700630048, - "CG_CD1_CE1": 120.987822920409, - "CD1_CE1": 1.39892851815634, - "CZ_CE1_CD1": 119.996204158436, - "CA_CB_CG": 113.808943966641 + "CG_CD2": 1.41044349662194, + "CD1_CG_CD2": 118.227014448079, + "CG_CD1": 1.3837085523401, + "CB_CG": 1.52029672067604, + "CB_CG_CD2": 120.412448615765, + "CB_CG_CD1": 121.186641090416, + "CG_CD2_CE2": 121.485155144092, + "CD2_CE2": 1.39998359366538, + "CZ_CE2_CD2": 119.810425329673, + "CZ_CE1": 1.38135482575372, + "CZ_CE2": 1.40373959722297, + "CE1_CZ_CE2": 119.145780192564, + "CG_CD1_CE1": 120.405472252428, + "CD1_CE1": 1.42508658220711, + "CZ_CE1_CD1": 120.886279164273, + "CA_CB_CG": 116.299642181141 } }, { "pk": 23, "model": "pgd_core.sidechain_phe", "fields": { - "CG_CD2": 1.39438609414938, - "CD1_CG_CD2": 118.431398856266, - "CG_CD1": 1.39220755548581, - "CB_CG": 1.51969471469633, - "CB_CG_CD2": 120.48005173717, - "CB_CG_CD1": 121.088401880661, - "CG_CD2_CE2": 121.334818314252, - "CD2_CE2": 1.39396290488314, - "CZ_CE2_CD2": 119.987406981703, - "CZ_CE1": 1.38862509526158, - "CZ_CE2": 1.41154385543839, - "CE1_CZ_CE2": 118.946673724701, - "CG_CD1_CE1": 120.937958332543, - "CD1_CE1": 1.40854771294016, - "CZ_CE1_CD1": 120.288705991447, - "CA_CB_CG": 113.699223868568 + "CG_CD2": 1.3840742868714, + "CD1_CG_CD2": 118.538865291771, + "CG_CD1": 1.38817647298019, + "CB_CG": 1.51223434199007, + "CB_CG_CD2": 120.845652144804, + "CB_CG_CD1": 120.578367075308, + "CG_CD2_CE2": 120.763455130164, + "CD2_CE2": 1.39925797939703, + "CZ_CE2_CD2": 119.922280491952, + "CZ_CE1": 1.36745725091935, + "CZ_CE2": 1.4014345243351, + "CE1_CZ_CE2": 119.756278358105, + "CG_CD1_CE1": 121.164484710815, + "CD1_CE1": 1.40768498414519, + "CZ_CE1_CD1": 119.827594007879, + "CA_CB_CG": 113.181156232017 } }, { "pk": 24, "model": "pgd_core.sidechain_phe", "fields": { - "CG_CD2": 1.3957431444086, - "CD1_CG_CD2": 118.608602479041, - "CG_CD1": 1.38154410614588, - "CB_CG": 1.50427777245152, - "CB_CG_CD2": 120.437512390265, - "CB_CG_CD1": 120.760307859252, - "CG_CD2_CE2": 120.613879210319, - "CD2_CE2": 1.38201664554872, - "CZ_CE2_CD2": 119.922220704977, - "CZ_CE1": 1.37103552407129, - "CZ_CE2": 1.38927477426868, - "CE1_CZ_CE2": 119.767978344368, - "CG_CD1_CE1": 120.723327428265, - "CD1_CE1": 1.38806655798416, - "CZ_CE1_CD1": 120.323976294291, - "CA_CB_CG": 112.288242128449 + "CG_CD2": 1.38736240324187, + "CD1_CG_CD2": 119.200966883343, + "CG_CD1": 1.37792268200679, + "CB_CG": 1.48361699911236, + "CB_CG_CD2": 120.773796580541, + "CB_CG_CD1": 119.962116705222, + "CG_CD2_CE2": 120.139439264102, + "CD2_CE2": 1.38784599478811, + "CZ_CE2_CD2": 119.436687183621, + "CZ_CE1": 1.3836602864949, + "CZ_CE2": 1.37443775024146, + "CE1_CZ_CE2": 120.155556613918, + "CG_CD1_CE1": 120.865856171544, + "CD1_CE1": 1.35722225266692, + "CZ_CE1_CD1": 120.18717787078, + "CA_CB_CG": 112.770615998118 } }, { "pk": 25, "model": "pgd_core.sidechain_phe", "fields": { - "CG_CD2": 1.38638973696096, - "CD1_CG_CD2": 119.089275494152, - "CG_CD1": 1.38107158845734, - "CB_CG": 1.48918579210857, - "CB_CG_CD2": 120.107833700197, - "CB_CG_CD1": 120.793518797384, - "CG_CD2_CE2": 120.68558671072, - "CD2_CE2": 1.37614193263697, - "CZ_CE2_CD2": 120.279453596999, - "CZ_CE1": 1.38217968357666, - "CZ_CE2": 1.38783068352456, - "CE1_CZ_CE2": 119.927841999308, - "CG_CD1_CE1": 120.71391245669, - "CD1_CE1": 1.40215359790892, - "CZ_CE1_CD1": 119.267641934299, - "CA_CB_CG": 113.732795076752 + "CG_CD2": 1.38026442186691, + "CD1_CG_CD2": 118.617607184984, + "CG_CD1": 1.38294958633839, + "CB_CG": 1.49426290389473, + "CB_CG_CD2": 120.409037310325, + "CB_CG_CD1": 120.857680957, + "CG_CD2_CE2": 120.876053262019, + "CD2_CE2": 1.38668576982064, + "CZ_CE2_CD2": 119.835284370188, + "CZ_CE1": 1.35499753973208, + "CZ_CE2": 1.40968340977531, + "CE1_CZ_CE2": 119.401526002459, + "CG_CD1_CE1": 120.930451345097, + "CD1_CE1": 1.40206507945232, + "CZ_CE1_CD1": 120.279465496084, + "CA_CB_CG": 114.595889903289 } }, { "pk": 26, "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.38773209997642, + "CD1_CG_CD2": 118.647206654555, + "CG_CD1": 1.39809374811867, + "CB_CG": 1.50755463657861, + "CB_CG_CD2": 120.272371439056, + "CB_CG_CD1": 121.079267911924, + "CG_CD2_CE2": 121.472244932677, + "CD2_CE2": 1.38144785322835, + "CZ_CE2_CD2": 119.24344442224, + "CZ_CE1": 1.38686410564728, + "CZ_CE2": 1.39845384468599, + "CE1_CZ_CE2": 120.023721505131, + "CG_CD1_CE1": 120.555894171005, + "CD1_CE1": 1.38438482725533, + "CZ_CE1_CD1": 120.029741367182, + "CA_CB_CG": 114.548059732946 + } +}, +{ + "pk": 27, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.38765541455642, + "CD1_CG_CD2": 118.159737614245, + "CG_CD1": 1.37987744441815, + "CB_CG": 1.51382493027821, + "CB_CG_CD2": 120.974455249399, + "CB_CG_CD1": 120.864096126484, + "CG_CD2_CE2": 121.07631760764, + "CD2_CE2": 1.39034509857217, + "CZ_CE2_CD2": 120.266658118108, + "CZ_CE1": 1.38102254117784, + "CZ_CE2": 1.37868224250206, + "CE1_CZ_CE2": 118.975408780894, + "CG_CD1_CE1": 120.893937805862, + "CD1_CE1": 1.39046177656399, + "CZ_CE1_CD1": 120.578433068953, + "CA_CB_CG": 114.102909640409 + } +}, +{ + "pk": 28, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.37493007205278, + "CD1_CG_CD2": 118.622032096711, + "CG_CD1": 1.39497282062399, + "CB_CG": 1.48973742560865, + "CB_CG_CD2": 120.663748603538, + "CB_CG_CD1": 120.648966312226, + "CG_CD2_CE2": 120.663558943654, + "CD2_CE2": 1.39532415163276, + "CZ_CE2_CD2": 120.903357988773, + "CZ_CE1": 1.37363434107023, + "CZ_CE2": 1.38442915399614, + "CE1_CZ_CE2": 119.662194427301, + "CG_CD1_CE1": 120.762294068348, + "CD1_CE1": 1.42120039535859, + "CZ_CE1_CD1": 119.342102457664, + "CA_CB_CG": 114.53480839143 + } +}, +{ + "pk": 29, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.38551423125234, + "CD1_CG_CD2": 118.767171572224, + "CG_CD1": 1.37473939833345, + "CB_CG": 1.50226634237398, + "CB_CG_CD2": 119.791673340056, + "CB_CG_CD1": 121.380153724688, + "CG_CD2_CE2": 121.203286592345, + "CD2_CE2": 1.37521670351569, + "CZ_CE2_CD2": 119.858172957751, + "CZ_CE1": 1.40096374833502, + "CZ_CE2": 1.36115360717824, + "CE1_CZ_CE2": 119.323458443835, + "CG_CD1_CE1": 120.378874016573, + "CD1_CE1": 1.36498585798895, + "CZ_CE1_CD1": 120.468536423226, + "CA_CB_CG": 114.778959834241 + } +}, +{ + "pk": 30, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.38725410358277, + "CD1_CG_CD2": 118.247161290099, + "CG_CD1": 1.38433712124662, + "CB_CG": 1.507531010086, + "CB_CG_CD2": 120.930417344038, + "CB_CG_CD1": 120.808712559498, + "CG_CD2_CE2": 120.654543706657, + "CD2_CE2": 1.38289355267636, + "CZ_CE2_CD2": 120.390962057148, + "CZ_CE1": 1.37439805580237, + "CZ_CE2": 1.37618868760646, + "CE1_CZ_CE2": 119.779328937894, + "CG_CD1_CE1": 121.119270492629, + "CD1_CE1": 1.38794616504163, + "CZ_CE1_CD1": 119.798191058924, + "CA_CB_CG": 114.287749584993 + } +}, +{ + "pk": 31, + "model": "pgd_core.sidechain_phe", + "fields": { + "CG_CD2": 1.39949642769173, + "CD1_CG_CD2": 119.120830819899, + "CG_CD1": 1.38006609084554, + "CB_CG": 1.49071053916701, + "CB_CG_CD2": 120.69541007869, + "CB_CG_CD1": 120.095589528082, + "CG_CD2_CE2": 120.892569861498, + "CD2_CE2": 1.37454034629942, + "CZ_CE2_CD2": 118.961004147155, + "CZ_CE1": 1.39206632437496, + "CZ_CE2": 1.38269054807761, + "CE1_CZ_CE2": 120.208840210249, + "CG_CD1_CE1": 120.350592489555, + "CD1_CE1": 1.36019535239173, + "CZ_CE1_CD1": 120.426510942039, + "CA_CB_CG": 114.752240785592 + } +}, +{ + "pk": 32, + "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39619870174837, "CD1_CG_CD2": 118.736101473959, @@ -40539,7 +33819,7 @@ } }, { - "pk": 27, + "pk": 33, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38947990398136, @@ -40561,29 +33841,7 @@ } }, { - "pk": 28, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38363937507518, - "CD1_CG_CD2": 118.668401840713, - "CG_CD1": 1.39620000607231, - "CB_CG": 1.49738569762492, - "CB_CG_CD2": 117.99556623644, - "CB_CG_CD1": 123.333932440055, - "CG_CD2_CE2": 122.191300361775, - "CD2_CE2": 1.37844835913431, - "CZ_CE2_CD2": 119.609067574187, - "CZ_CE1": 1.4028128554993, - "CZ_CE2": 1.38551249868786, - "CE1_CZ_CE2": 119.529479067505, - "CG_CD1_CE1": 119.882634158682, - "CD1_CE1": 1.40107502143992, - "CZ_CE1_CD1": 120.107567091649, - "CA_CB_CG": 116.024196239657 - } -}, -{ - "pk": 29, + "pk": 34, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39088172438422, @@ -40604,116 +33862,6 @@ "CA_CB_CG": 113.994162450687 } }, -{ - "pk": 30, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37781076303628, - "CD1_CG_CD2": 119.623169513511, - "CG_CD1": 1.38907526226869, - "CB_CG": 1.47212051836969, - "CB_CG_CD2": 119.881927881668, - "CB_CG_CD1": 120.466414885162, - "CG_CD2_CE2": 120.484148599598, - "CD2_CE2": 1.37678890966157, - "CZ_CE2_CD2": 119.274607891505, - "CZ_CE1": 1.38907574852891, - "CZ_CE2": 1.37019774779925, - "CE1_CZ_CE2": 120.6720451623, - "CG_CD1_CE1": 120.12131256459, - "CD1_CE1": 1.35862250539565, - "CZ_CE1_CD1": 119.796987476649, - "CA_CB_CG": 114.158448139873 - } -}, -{ - "pk": 31, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37981094588467, - "CD1_CG_CD2": 118.615538785595, - "CG_CD1": 1.38397763296959, - "CB_CG": 1.50238924347035, - "CB_CG_CD2": 120.300012559639, - "CB_CG_CD1": 120.927604662286, - "CG_CD2_CE2": 120.823708330636, - "CD2_CE2": 1.37790892926053, - "CZ_CE2_CD2": 119.946520582319, - "CZ_CE1": 1.36772767772309, - "CZ_CE2": 1.37600750694281, - "CE1_CZ_CE2": 120.28310395431, - "CG_CD1_CE1": 120.590656923028, - "CD1_CE1": 1.39071199960773, - "CZ_CE1_CD1": 119.646302986773, - "CA_CB_CG": 112.902660976558 - } -}, -{ - "pk": 32, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39178481300985, - "CD1_CG_CD2": 118.829830457898, - "CG_CD1": 1.38771855765308, - "CB_CG": 1.4930127556232, - "CB_CG_CD2": 120.371080688033, - "CB_CG_CD1": 120.788154294506, - "CG_CD2_CE2": 120.583954789191, - "CD2_CE2": 1.38651197225805, - "CZ_CE2_CD2": 119.681262121148, - "CZ_CE1": 1.38461689866022, - "CZ_CE2": 1.39035148356971, - "CE1_CZ_CE2": 119.738691558399, - "CG_CD1_CE1": 120.883482125542, - "CD1_CE1": 1.3726629096992, - "CZ_CE1_CD1": 120.280672728862, - "CA_CB_CG": 113.569302307258 - } -}, -{ - "pk": 33, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38877271374308, - "CD1_CG_CD2": 119.159691229384, - "CG_CD1": 1.38723531928529, - "CB_CG": 1.48288252889375, - "CB_CG_CD2": 120.590059345725, - "CB_CG_CD1": 120.180808343909, - "CG_CD2_CE2": 120.065533626441, - "CD2_CE2": 1.39729444605743, - "CZ_CE2_CD2": 119.642887219062, - "CZ_CE1": 1.38915392850727, - "CZ_CE2": 1.38095510396133, - "CE1_CZ_CE2": 120.15928468536, - "CG_CD1_CE1": 121.033712479283, - "CD1_CE1": 1.36843172737087, - "CZ_CE1_CD1": 119.895050251017, - "CA_CB_CG": 113.025350397919 - } -}, -{ - "pk": 34, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37965690069399, - "CD1_CG_CD2": 118.99478264183, - "CG_CD1": 1.38490537035424, - "CB_CG": 1.48759867499395, - "CB_CG_CD2": 120.668230267912, - "CB_CG_CD1": 120.336801196677, - "CG_CD2_CE2": 120.736107572533, - "CD2_CE2": 1.3775452631314, - "CZ_CE2_CD2": 119.865480614271, - "CZ_CE1": 1.36861406146964, - "CZ_CE2": 1.39129567822114, - "CE1_CZ_CE2": 120.136307902529, - "CG_CD1_CE1": 120.672645566193, - "CD1_CE1": 1.39347311928422, - "CZ_CE1_CD1": 119.584111813462, - "CA_CB_CG": 113.433139546944 - } -}, { "pk": 35, "model": "pgd_core.sidechain_phe", @@ -40761,28 +33909,6 @@ { "pk": 37, "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37011028671159, - "CD1_CG_CD2": 119.445747667037, - "CG_CD1": 1.36805874462299, - "CB_CG": 1.46256649497342, - "CB_CG_CD2": 120.733914416513, - "CB_CG_CD1": 119.710996252349, - "CG_CD2_CE2": 120.362117077288, - "CD2_CE2": 1.3653433410339, - "CZ_CE2_CD2": 119.504244127388, - "CZ_CE1": 1.37081031090315, - "CZ_CE2": 1.35786655393017, - "CE1_CZ_CE2": 120.421876225959, - "CG_CD1_CE1": 120.288398681487, - "CD1_CE1": 1.35269812971567, - "CZ_CE1_CD1": 119.93048797064, - "CA_CB_CG": 112.720972115208 - } -}, -{ - "pk": 38, - "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38976494195784, "CD1_CG_CD2": 118.477438664704, @@ -40803,7 +33929,7 @@ } }, { - "pk": 39, + "pk": 38, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39157894916105, @@ -40825,7 +33951,7 @@ } }, { - "pk": 40, + "pk": 39, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39179108797773, @@ -40847,7 +33973,7 @@ } }, { - "pk": 41, + "pk": 40, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39110972131149, @@ -40869,7 +33995,7 @@ } }, { - "pk": 42, + "pk": 41, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39403320980706, @@ -40891,29 +34017,7 @@ } }, { - "pk": 43, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38313722303796, - "CD1_CG_CD2": 118.88564482376, - "CG_CD1": 1.39082444921607, - "CB_CG": 1.49536207494686, - "CB_CG_CD2": 120.968608717121, - "CB_CG_CD1": 120.145239682161, - "CG_CD2_CE2": 121.19613490531, - "CD2_CE2": 1.40715551292263, - "CZ_CE2_CD2": 119.920481087118, - "CZ_CE1": 1.40386170341179, - "CZ_CE2": 1.38826382955323, - "CE1_CZ_CE2": 119.09578074056, - "CG_CD1_CE1": 120.658679300839, - "CD1_CE1": 1.39982103245311, - "CZ_CE1_CD1": 120.238875076154, - "CA_CB_CG": 113.337160043788 - } -}, -{ - "pk": 44, + "pk": 42, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39405697202372, @@ -40935,29 +34039,7 @@ } }, { - "pk": 45, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39261825269936, - "CD1_CG_CD2": 118.66587872555, - "CG_CD1": 1.37959105501771, - "CB_CG": 1.51109270469294, - "CB_CG_CD2": 120.209113762851, - "CB_CG_CD1": 121.118042838441, - "CG_CD2_CE2": 121.110698631081, - "CD2_CE2": 1.38368787564588, - "CZ_CE2_CD2": 119.240707878663, - "CZ_CE1": 1.37838491435432, - "CZ_CE2": 1.38616323957224, - "CE1_CZ_CE2": 120.267114842052, - "CG_CD1_CE1": 120.748547967588, - "CD1_CE1": 1.38692489989497, - "CZ_CE1_CD1": 119.949653466579, - "CA_CB_CG": 113.756328572251 - } -}, -{ - "pk": 46, + "pk": 43, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39330469374299, @@ -40979,7 +34061,7 @@ } }, { - "pk": 47, + "pk": 44, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39362328579504, @@ -41001,95 +34083,7 @@ } }, { - "pk": 48, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38120181477902, - "CD1_CG_CD2": 118.568160413596, - "CG_CD1": 1.39025421962287, - "CB_CG": 1.51066079727009, - "CB_CG_CD2": 120.561734070598, - "CB_CG_CD1": 120.794153700322, - "CG_CD2_CE2": 121.089147161174, - "CD2_CE2": 1.37303810837963, - "CZ_CE2_CD2": 120.337181651909, - "CZ_CE1": 1.39735221989485, - "CZ_CE2": 1.36486930188683, - "CE1_CZ_CE2": 119.689888467932, - "CG_CD1_CE1": 120.568058246833, - "CD1_CE1": 1.37568578783388, - "CZ_CE1_CD1": 119.72446733583, - "CA_CB_CG": 112.962783666155 - } -}, -{ - "pk": 49, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.40613091951422, - "CD1_CG_CD2": 118.408829000797, - "CG_CD1": 1.38797257989691, - "CB_CG": 1.50184850972883, - "CB_CG_CD2": 120.817589018764, - "CB_CG_CD1": 120.760636824471, - "CG_CD2_CE2": 120.752303961413, - "CD2_CE2": 1.39249039926581, - "CZ_CE2_CD2": 119.536873578423, - "CZ_CE1": 1.37933766652546, - "CZ_CE2": 1.39463969195723, - "CE1_CZ_CE2": 120.167537147219, - "CG_CD1_CE1": 121.009551716071, - "CD1_CE1": 1.39178305308951, - "CZ_CE1_CD1": 120.119489134006, - "CA_CB_CG": 113.802039810702 - } -}, -{ - "pk": 50, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37897349806741, - "CD1_CG_CD2": 118.471949743779, - "CG_CD1": 1.37898251397613, - "CB_CG": 1.52471255397975, - "CB_CG_CD2": 120.052086430822, - "CB_CG_CD1": 121.338328956917, - "CG_CD2_CE2": 121.156994443672, - "CD2_CE2": 1.41152035679311, - "CZ_CE2_CD2": 119.458623071891, - "CZ_CE1": 1.39870323527657, - "CZ_CE2": 1.37374725615173, - "CE1_CZ_CE2": 119.39721909723, - "CG_CD1_CE1": 121.328872669143, - "CD1_CE1": 1.38083735614837, - "CZ_CE1_CD1": 120.157354159622, - "CA_CB_CG": 115.385625764147 - } -}, -{ - "pk": 51, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.36673671365793, - "CD1_CG_CD2": 119.314194199164, - "CG_CD1": 1.38432634139889, - "CB_CG": 1.4772771877104, - "CB_CG_CD2": 119.858296315357, - "CB_CG_CD1": 120.796853594727, - "CG_CD2_CE2": 120.449941573891, - "CD2_CE2": 1.38745519002774, - "CZ_CE2_CD2": 120.072540210768, - "CZ_CE1": 1.37645443131684, - "CZ_CE2": 1.36665837381601, - "CE1_CZ_CE2": 120.038929868111, - "CG_CD1_CE1": 120.310983672486, - "CD1_CE1": 1.38208148704342, - "CZ_CE1_CD1": 119.80782198446, - "CA_CB_CG": 113.187871148783 - } -}, -{ - "pk": 52, + "pk": 45, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39019605103424, @@ -41111,51 +34105,7 @@ } }, { - "pk": 53, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38867274761001, - "CD1_CG_CD2": 118.523659557729, - "CG_CD1": 1.39339298773646, - "CB_CG": 1.49303229494249, - "CB_CG_CD2": 121.244878910236, - "CB_CG_CD1": 120.194165068095, - "CG_CD2_CE2": 120.512733908165, - "CD2_CE2": 1.4017789686089, - "CZ_CE2_CD2": 119.940752464362, - "CZ_CE1": 1.38053690472493, - "CZ_CE2": 1.36540395256071, - "CE1_CZ_CE2": 120.182516681659, - "CG_CD1_CE1": 120.482953084733, - "CD1_CE1": 1.38452210970468, - "CZ_CE1_CD1": 120.326422094458, - "CA_CB_CG": 114.052858224734 - } -}, -{ - "pk": 54, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39612600916503, - "CD1_CG_CD2": 118.843048767176, - "CG_CD1": 1.38614179433919, - "CB_CG": 1.51886769916165, - "CB_CG_CD2": 120.244043469188, - "CB_CG_CD1": 120.896151033348, - "CG_CD2_CE2": 121.412715492662, - "CD2_CE2": 1.37263923407474, - "CZ_CE2_CD2": 119.73369434608, - "CZ_CE1": 1.39536946366438, - "CZ_CE2": 1.38577471049621, - "CE1_CZ_CE2": 120.022501222518, - "CG_CD1_CE1": 120.284524819486, - "CD1_CE1": 1.39771596817002, - "CZ_CE1_CD1": 119.679412722065, - "CA_CB_CG": 113.73452799586 - } -}, -{ - "pk": 55, + "pk": 46, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38968442743789, @@ -41177,73 +34127,7 @@ } }, { - "pk": 56, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39305615516005, - "CD1_CG_CD2": 118.592735108289, - "CG_CD1": 1.38963195424665, - "CB_CG": 1.50779727276313, - "CB_CG_CD2": 120.518946261625, - "CB_CG_CD1": 120.875501996492, - "CG_CD2_CE2": 120.623713365275, - "CD2_CE2": 1.42116486274084, - "CZ_CE2_CD2": 119.813789277805, - "CZ_CE1": 1.39353551833088, - "CZ_CE2": 1.36322319546769, - "CE1_CZ_CE2": 120.07937952132, - "CG_CD1_CE1": 120.590059021996, - "CD1_CE1": 1.39886978407014, - "CZ_CE1_CD1": 120.273409285189, - "CA_CB_CG": 113.75266382166 - } -}, -{ - "pk": 57, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37974896834129, - "CD1_CG_CD2": 119.119375194306, - "CG_CD1": 1.38802356207857, - "CB_CG": 1.48357225950463, - "CB_CG_CD2": 120.467916003169, - "CB_CG_CD1": 120.271864780209, - "CG_CD2_CE2": 120.151194717608, - "CD2_CE2": 1.38332630052472, - "CZ_CE2_CD2": 120.096183544643, - "CZ_CE1": 1.40246292349893, - "CZ_CE2": 1.38065760119789, - "CE1_CZ_CE2": 119.617531227938, - "CG_CD1_CE1": 121.504616762074, - "CD1_CE1": 1.3529280213582, - "CZ_CE1_CD1": 119.452147116089, - "CA_CB_CG": 112.308634852893 - } -}, -{ - "pk": 58, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.40442748512971, - "CD1_CG_CD2": 118.618010579895, - "CG_CD1": 1.40721665140685, - "CB_CG": 1.48814190912343, - "CB_CG_CD2": 120.496923172109, - "CB_CG_CD1": 120.823988249169, - "CG_CD2_CE2": 121.224085873603, - "CD2_CE2": 1.4028822872496, - "CZ_CE2_CD2": 119.655993136595, - "CZ_CE1": 1.41009253762698, - "CZ_CE2": 1.38740263619285, - "CE1_CZ_CE2": 119.836242272486, - "CG_CD1_CE1": 120.269756377527, - "CD1_CE1": 1.39546242967377, - "CZ_CE1_CD1": 120.365888311837, - "CA_CB_CG": 115.374748274852 - } -}, -{ - "pk": 59, + "pk": 47, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3984346449731, @@ -41265,73 +34149,7 @@ } }, { - "pk": 60, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37698826145413, - "CD1_CG_CD2": 118.888059802889, - "CG_CD1": 1.38201483420264, - "CB_CG": 1.50680530621492, - "CB_CG_CD2": 120.429614306956, - "CB_CG_CD1": 120.670700703598, - "CG_CD2_CE2": 121.332759878414, - "CD2_CE2": 1.36947415367635, - "CZ_CE2_CD2": 119.744911266202, - "CZ_CE1": 1.37682704367457, - "CZ_CE2": 1.40929671855087, - "CE1_CZ_CE2": 119.61161962095, - "CG_CD1_CE1": 121.107306889123, - "CD1_CE1": 1.39797236893182, - "CZ_CE1_CD1": 119.276832996869, - "CA_CB_CG": 113.552765531481 - } -}, -{ - "pk": 61, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39384000257986, - "CD1_CG_CD2": 118.978156008993, - "CG_CD1": 1.39572107425712, - "CB_CG": 1.52021459604951, - "CB_CG_CD2": 121.017027881709, - "CB_CG_CD1": 119.943504920473, - "CG_CD2_CE2": 120.644220877276, - "CD2_CE2": 1.41664979387114, - "CZ_CE2_CD2": 119.614014891977, - "CZ_CE1": 1.41161113695845, - "CZ_CE2": 1.3957480818751, - "CE1_CZ_CE2": 119.480285057917, - "CG_CD1_CE1": 121.24421577128, - "CD1_CE1": 1.38636952439414, - "CZ_CE1_CD1": 120.024011224102, - "CA_CB_CG": 114.323675963283 - } -}, -{ - "pk": 62, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39073083729226, - "CD1_CG_CD2": 118.868036442396, - "CG_CD1": 1.37978792825607, - "CB_CG": 1.49602165882948, - "CB_CG_CD2": 120.003720829699, - "CB_CG_CD1": 121.023974278581, - "CG_CD2_CE2": 120.702857382441, - "CD2_CE2": 1.39228389324183, - "CZ_CE2_CD2": 120.104984331277, - "CZ_CE1": 1.38741666529269, - "CZ_CE2": 1.37564004188453, - "CE1_CZ_CE2": 119.547457046273, - "CG_CD1_CE1": 120.46131181686, - "CD1_CE1": 1.39350456186761, - "CZ_CE1_CD1": 120.261790056279, - "CA_CB_CG": 114.743456043923 - } -}, -{ - "pk": 63, + "pk": 48, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.37762296215688, @@ -41353,7 +34171,7 @@ } }, { - "pk": 64, + "pk": 49, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.40382921755195, @@ -41375,7 +34193,7 @@ } }, { - "pk": 65, + "pk": 50, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38724305446272, @@ -41397,29 +34215,7 @@ } }, { - "pk": 66, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39489214331655, - "CD1_CG_CD2": 118.688480078432, - "CG_CD1": 1.38453278913775, - "CB_CG": 1.50800011950995, - "CB_CG_CD2": 119.740915854305, - "CB_CG_CD1": 121.366586403191, - "CG_CD2_CE2": 121.143207450025, - "CD2_CE2": 1.40096746907124, - "CZ_CE2_CD2": 119.413886165809, - "CZ_CE1": 1.38940624186572, - "CZ_CE2": 1.40420290255726, - "CE1_CZ_CE2": 119.675233100465, - "CG_CD1_CE1": 121.130166651094, - "CD1_CE1": 1.40409208431343, - "CZ_CE1_CD1": 119.882500066267, - "CA_CB_CG": 112.437230833725 - } -}, -{ - "pk": 67, + "pk": 51, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39195315455714, @@ -41441,7 +34237,7 @@ } }, { - "pk": 68, + "pk": 52, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39666316886584, @@ -41463,73 +34259,7 @@ } }, { - "pk": 69, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.36607147655919, - "CD1_CG_CD2": 119.123732616551, - "CG_CD1": 1.39309584648777, - "CB_CG": 1.49133974814244, - "CB_CG_CD2": 120.509974494301, - "CB_CG_CD1": 120.313132667656, - "CG_CD2_CE2": 120.742766895974, - "CD2_CE2": 1.386512260178, - "CZ_CE2_CD2": 119.756334660969, - "CZ_CE1": 1.38653386991641, - "CZ_CE2": 1.3778500581217, - "CE1_CZ_CE2": 119.98608940772, - "CG_CD1_CE1": 120.734093709242, - "CD1_CE1": 1.37167094737939, - "CZ_CE1_CD1": 119.626251699881, - "CA_CB_CG": 112.198826439837 - } -}, -{ - "pk": 70, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38264005305633, - "CD1_CG_CD2": 118.685323559076, - "CG_CD1": 1.38681983778325, - "CB_CG": 1.50634416457905, - "CB_CG_CD2": 120.825926941759, - "CB_CG_CD1": 120.485084366906, - "CG_CD2_CE2": 120.883691891609, - "CD2_CE2": 1.38571583363625, - "CZ_CE2_CD2": 119.594217639082, - "CZ_CE1": 1.38366901949623, - "CZ_CE2": 1.39215708167709, - "CE1_CZ_CE2": 119.593098783566, - "CG_CD1_CE1": 121.121212354032, - "CD1_CE1": 1.37190163457562, - "CZ_CE1_CD1": 120.120322859742, - "CA_CB_CG": 114.208503269033 - } -}, -{ - "pk": 71, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37695121293831, - "CD1_CG_CD2": 118.720485831357, - "CG_CD1": 1.39086308459615, - "CB_CG": 1.48557692512624, - "CB_CG_CD2": 119.848415482833, - "CB_CG_CD1": 121.427745446938, - "CG_CD2_CE2": 121.08827362144, - "CD2_CE2": 1.36699248828303, - "CZ_CE2_CD2": 120.12349648679, - "CZ_CE1": 1.37801240360957, - "CZ_CE2": 1.39368320721522, - "CE1_CZ_CE2": 119.503433735236, - "CG_CD1_CE1": 120.724068508904, - "CD1_CE1": 1.38135887482649, - "CZ_CE1_CD1": 119.83479018309, - "CA_CB_CG": 114.142943252294 - } -}, -{ - "pk": 72, + "pk": 53, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39816659597767, @@ -41551,7 +34281,7 @@ } }, { - "pk": 73, + "pk": 54, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39744028835749, @@ -41573,7 +34303,7 @@ } }, { - "pk": 74, + "pk": 55, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39500117402521, @@ -41595,29 +34325,7 @@ } }, { - "pk": 75, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38908060674801, - "CD1_CG_CD2": 118.340391305525, - "CG_CD1": 1.38088603224167, - "CB_CG": 1.51522361692992, - "CB_CG_CD2": 120.817905636467, - "CB_CG_CD1": 120.839785922365, - "CG_CD2_CE2": 120.482078070876, - "CD2_CE2": 1.38039051544432, - "CZ_CE2_CD2": 120.989370856933, - "CZ_CE1": 1.37286305769273, - "CZ_CE2": 1.40988641367428, - "CE1_CZ_CE2": 118.81235583584, - "CG_CD1_CE1": 121.851779117693, - "CD1_CE1": 1.40608495404081, - "CZ_CE1_CD1": 119.505465265725, - "CA_CB_CG": 114.82721077357 - } -}, -{ - "pk": 76, + "pk": 56, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39609265125386, @@ -41639,29 +34347,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38632006104165, - "CD1_CG_CD2": 118.552571635273, - "CG_CD1": 1.38597097346927, - "CB_CG": 1.50988658422024, - "CB_CG_CD2": 120.599887547198, - "CB_CG_CD1": 120.836514823289, - "CG_CD2_CE2": 121.218743061282, - "CD2_CE2": 1.38032279205628, - "CZ_CE2_CD2": 120.070487837803, - "CZ_CE1": 1.38461485909322, - "CZ_CE2": 1.38516471508921, - "CE1_CZ_CE2": 119.560037240728, - "CG_CD1_CE1": 120.649163920435, - "CD1_CE1": 1.39520406264756, - "CZ_CE1_CD1": 119.947439011918, - "CA_CB_CG": 113.345976721904 - } -}, -{ - "pk": 78, + "pk": 57, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39419824026525, @@ -41683,29 +34369,7 @@ } }, { - "pk": 79, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39285266709969, - "CD1_CG_CD2": 119.073564676234, - "CG_CD1": 1.37954733593413, - "CB_CG": 1.49337942841685, - "CB_CG_CD2": 120.839166808037, - "CB_CG_CD1": 120.053304178492, - "CG_CD2_CE2": 120.758492215689, - "CD2_CE2": 1.3777633964932, - "CZ_CE2_CD2": 119.827921638785, - "CZ_CE1": 1.37390912743216, - "CZ_CE2": 1.40521789661275, - "CE1_CZ_CE2": 119.820455157255, - "CG_CD1_CE1": 120.781368499453, - "CD1_CE1": 1.40178349780676, - "CZ_CE1_CD1": 119.732763621182, - "CA_CB_CG": 113.468141878543 - } -}, -{ - "pk": 80, + "pk": 58, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39856045754065, @@ -41727,51 +34391,7 @@ } }, { - "pk": 81, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38348454615416, - "CD1_CG_CD2": 119.232119773327, - "CG_CD1": 1.37970211846624, - "CB_CG": 1.48088372532335, - "CB_CG_CD2": 120.312663855772, - "CB_CG_CD1": 120.406956373161, - "CG_CD2_CE2": 120.219510816821, - "CD2_CE2": 1.36013773241312, - "CZ_CE2_CD2": 119.990887415826, - "CZ_CE1": 1.34437510416593, - "CZ_CE2": 1.38733549704092, - "CE1_CZ_CE2": 120.379398610908, - "CG_CD1_CE1": 119.9853369113, - "CD1_CE1": 1.38416263052592, - "CZ_CE1_CD1": 120.187056340449, - "CA_CB_CG": 113.461531655792 - } -}, -{ - "pk": 82, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.41044349662194, - "CD1_CG_CD2": 118.227014448079, - "CG_CD1": 1.3837085523401, - "CB_CG": 1.52029672067604, - "CB_CG_CD2": 120.412448615765, - "CB_CG_CD1": 121.186641090416, - "CG_CD2_CE2": 121.485155144092, - "CD2_CE2": 1.39998359366538, - "CZ_CE2_CD2": 119.810425329673, - "CZ_CE1": 1.38135482575372, - "CZ_CE2": 1.40373959722297, - "CE1_CZ_CE2": 119.145780192564, - "CG_CD1_CE1": 120.405472252428, - "CD1_CE1": 1.42508658220711, - "CZ_CE1_CD1": 120.886279164273, - "CA_CB_CG": 116.299642181141 - } -}, -{ - "pk": 83, + "pk": 59, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3895059176131, @@ -41793,29 +34413,7 @@ } }, { - "pk": 84, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.3840742868714, - "CD1_CG_CD2": 118.538865291771, - "CG_CD1": 1.38817647298019, - "CB_CG": 1.51223434199007, - "CB_CG_CD2": 120.845652144804, - "CB_CG_CD1": 120.578367075308, - "CG_CD2_CE2": 120.763455130164, - "CD2_CE2": 1.39925797939703, - "CZ_CE2_CD2": 119.922280491952, - "CZ_CE1": 1.36745725091935, - "CZ_CE2": 1.4014345243351, - "CE1_CZ_CE2": 119.756278358105, - "CG_CD1_CE1": 121.164484710815, - "CD1_CE1": 1.40768498414519, - "CZ_CE1_CD1": 119.827594007879, - "CA_CB_CG": 113.181156232017 - } -}, -{ - "pk": 85, + "pk": 60, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38008699876274, @@ -41837,7 +34435,7 @@ } }, { - "pk": 86, + "pk": 61, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39591994737672, @@ -41859,7 +34457,7 @@ } }, { - "pk": 87, + "pk": 62, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39004788780268, @@ -41881,73 +34479,7 @@ } }, { - "pk": 88, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38736240324187, - "CD1_CG_CD2": 119.200966883343, - "CG_CD1": 1.37792268200679, - "CB_CG": 1.48361699911236, - "CB_CG_CD2": 120.773796580541, - "CB_CG_CD1": 119.962116705222, - "CG_CD2_CE2": 120.139439264102, - "CD2_CE2": 1.38784599478811, - "CZ_CE2_CD2": 119.436687183621, - "CZ_CE1": 1.3836602864949, - "CZ_CE2": 1.37443775024146, - "CE1_CZ_CE2": 120.155556613918, - "CG_CD1_CE1": 120.865856171544, - "CD1_CE1": 1.35722225266692, - "CZ_CE1_CD1": 120.18717787078, - "CA_CB_CG": 112.770615998118 - } -}, -{ - "pk": 89, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38026442186691, - "CD1_CG_CD2": 118.617607184984, - "CG_CD1": 1.38294958633839, - "CB_CG": 1.49426290389473, - "CB_CG_CD2": 120.409037310325, - "CB_CG_CD1": 120.857680957, - "CG_CD2_CE2": 120.876053262019, - "CD2_CE2": 1.38668576982064, - "CZ_CE2_CD2": 119.835284370188, - "CZ_CE1": 1.35499753973208, - "CZ_CE2": 1.40968340977531, - "CE1_CZ_CE2": 119.401526002459, - "CG_CD1_CE1": 120.930451345097, - "CD1_CE1": 1.40206507945232, - "CZ_CE1_CD1": 120.279465496084, - "CA_CB_CG": 114.595889903289 - } -}, -{ - "pk": 90, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38773209997642, - "CD1_CG_CD2": 118.647206654555, - "CG_CD1": 1.39809374811867, - "CB_CG": 1.50755463657861, - "CB_CG_CD2": 120.272371439056, - "CB_CG_CD1": 121.079267911924, - "CG_CD2_CE2": 121.472244932677, - "CD2_CE2": 1.38144785322835, - "CZ_CE2_CD2": 119.24344442224, - "CZ_CE1": 1.38686410564728, - "CZ_CE2": 1.39845384468599, - "CE1_CZ_CE2": 120.023721505131, - "CG_CD1_CE1": 120.555894171005, - "CD1_CE1": 1.38438482725533, - "CZ_CE1_CD1": 120.029741367182, - "CA_CB_CG": 114.548059732946 - } -}, -{ - "pk": 91, + "pk": 63, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39172523255534, @@ -41969,7 +34501,7 @@ } }, { - "pk": 92, + "pk": 64, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38524183679785, @@ -41991,7 +34523,7 @@ } }, { - "pk": 93, + "pk": 65, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38803550545039, @@ -42013,73 +34545,7 @@ } }, { - "pk": 94, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38765541455642, - "CD1_CG_CD2": 118.159737614245, - "CG_CD1": 1.37987744441815, - "CB_CG": 1.51382493027821, - "CB_CG_CD2": 120.974455249399, - "CB_CG_CD1": 120.864096126484, - "CG_CD2_CE2": 121.07631760764, - "CD2_CE2": 1.39034509857217, - "CZ_CE2_CD2": 120.266658118108, - "CZ_CE1": 1.38102254117784, - "CZ_CE2": 1.37868224250206, - "CE1_CZ_CE2": 118.975408780894, - "CG_CD1_CE1": 120.893937805862, - "CD1_CE1": 1.39046177656399, - "CZ_CE1_CD1": 120.578433068953, - "CA_CB_CG": 114.102909640409 - } -}, -{ - "pk": 95, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.37493007205278, - "CD1_CG_CD2": 118.622032096711, - "CG_CD1": 1.39497282062399, - "CB_CG": 1.48973742560865, - "CB_CG_CD2": 120.663748603538, - "CB_CG_CD1": 120.648966312226, - "CG_CD2_CE2": 120.663558943654, - "CD2_CE2": 1.39532415163276, - "CZ_CE2_CD2": 120.903357988773, - "CZ_CE1": 1.37363434107023, - "CZ_CE2": 1.38442915399614, - "CE1_CZ_CE2": 119.662194427301, - "CG_CD1_CE1": 120.762294068348, - "CD1_CE1": 1.42120039535859, - "CZ_CE1_CD1": 119.342102457664, - "CA_CB_CG": 114.53480839143 - } -}, -{ - "pk": 96, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38551423125234, - "CD1_CG_CD2": 118.767171572224, - "CG_CD1": 1.37473939833345, - "CB_CG": 1.50226634237398, - "CB_CG_CD2": 119.791673340056, - "CB_CG_CD1": 121.380153724688, - "CG_CD2_CE2": 121.203286592345, - "CD2_CE2": 1.37521670351569, - "CZ_CE2_CD2": 119.858172957751, - "CZ_CE1": 1.40096374833502, - "CZ_CE2": 1.36115360717824, - "CE1_CZ_CE2": 119.323458443835, - "CG_CD1_CE1": 120.378874016573, - "CD1_CE1": 1.36498585798895, - "CZ_CE1_CD1": 120.468536423226, - "CA_CB_CG": 114.778959834241 - } -}, -{ - "pk": 97, + "pk": 66, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39322976673537, @@ -42101,7 +34567,7 @@ } }, { - "pk": 98, + "pk": 67, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3957686627185, @@ -42123,51 +34589,7 @@ } }, { - "pk": 99, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.38725410358277, - "CD1_CG_CD2": 118.247161290099, - "CG_CD1": 1.38433712124662, - "CB_CG": 1.507531010086, - "CB_CG_CD2": 120.930417344038, - "CB_CG_CD1": 120.808712559498, - "CG_CD2_CE2": 120.654543706657, - "CD2_CE2": 1.38289355267636, - "CZ_CE2_CD2": 120.390962057148, - "CZ_CE1": 1.37439805580237, - "CZ_CE2": 1.37618868760646, - "CE1_CZ_CE2": 119.779328937894, - "CG_CD1_CE1": 121.119270492629, - "CD1_CE1": 1.38794616504163, - "CZ_CE1_CD1": 119.798191058924, - "CA_CB_CG": 114.287749584993 - } -}, -{ - "pk": 100, - "model": "pgd_core.sidechain_phe", - "fields": { - "CG_CD2": 1.39949642769173, - "CD1_CG_CD2": 119.120830819899, - "CG_CD1": 1.38006609084554, - "CB_CG": 1.49071053916701, - "CB_CG_CD2": 120.69541007869, - "CB_CG_CD1": 120.095589528082, - "CG_CD2_CE2": 120.892569861498, - "CD2_CE2": 1.37454034629942, - "CZ_CE2_CD2": 118.961004147155, - "CZ_CE1": 1.39206632437496, - "CZ_CE2": 1.38269054807761, - "CE1_CZ_CE2": 120.208840210249, - "CG_CD1_CE1": 120.350592489555, - "CD1_CE1": 1.36019535239173, - "CZ_CE1_CD1": 120.426510942039, - "CA_CB_CG": 114.752240785592 - } -}, -{ - "pk": 101, + "pk": 68, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39542166434066, @@ -42189,7 +34611,7 @@ } }, { - "pk": 102, + "pk": 69, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38924450270482, @@ -42211,7 +34633,7 @@ } }, { - "pk": 103, + "pk": 70, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38937112906553, @@ -42233,7 +34655,7 @@ } }, { - "pk": 104, + "pk": 71, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38240816520603, @@ -42255,7 +34677,7 @@ } }, { - "pk": 105, + "pk": 72, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39775673638065, @@ -42277,7 +34699,7 @@ } }, { - "pk": 106, + "pk": 73, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38840487843106, @@ -42299,7 +34721,7 @@ } }, { - "pk": 107, + "pk": 74, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39135966372662, @@ -42321,7 +34743,7 @@ } }, { - "pk": 108, + "pk": 75, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38869464169188, @@ -42343,7 +34765,7 @@ } }, { - "pk": 109, + "pk": 76, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39215537798609, @@ -42365,7 +34787,7 @@ } }, { - "pk": 110, + "pk": 77, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3908065951296, @@ -42387,7 +34809,7 @@ } }, { - "pk": 111, + "pk": 78, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39217771687687, @@ -42409,7 +34831,7 @@ } }, { - "pk": 112, + "pk": 79, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39210396365496, @@ -42431,7 +34853,7 @@ } }, { - "pk": 113, + "pk": 80, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38758409947689, @@ -42453,7 +34875,7 @@ } }, { - "pk": 114, + "pk": 81, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39388708437346, @@ -42475,7 +34897,7 @@ } }, { - "pk": 115, + "pk": 82, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3940514480173, @@ -42497,7 +34919,7 @@ } }, { - "pk": 116, + "pk": 83, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39235884719772, @@ -42519,7 +34941,7 @@ } }, { - "pk": 117, + "pk": 84, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38852635800955, @@ -42541,7 +34963,7 @@ } }, { - "pk": 118, + "pk": 85, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39014725723123, @@ -42563,7 +34985,7 @@ } }, { - "pk": 119, + "pk": 86, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39453454724846, @@ -42585,7 +35007,7 @@ } }, { - "pk": 120, + "pk": 87, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38624353766417, @@ -42607,7 +35029,7 @@ } }, { - "pk": 121, + "pk": 88, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38878142428981, @@ -42629,7 +35051,7 @@ } }, { - "pk": 122, + "pk": 89, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39185158582787, @@ -42651,7 +35073,7 @@ } }, { - "pk": 123, + "pk": 90, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38890160387247, @@ -42673,7 +35095,7 @@ } }, { - "pk": 124, + "pk": 91, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38658826115818, @@ -42695,7 +35117,7 @@ } }, { - "pk": 125, + "pk": 92, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38955668010366, @@ -42717,7 +35139,7 @@ } }, { - "pk": 126, + "pk": 93, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39181727990866, @@ -42739,7 +35161,7 @@ } }, { - "pk": 127, + "pk": 94, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38985647970971, @@ -42761,7 +35183,7 @@ } }, { - "pk": 128, + "pk": 95, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38933052628212, @@ -42783,7 +35205,7 @@ } }, { - "pk": 129, + "pk": 96, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38941082907084, @@ -42805,7 +35227,7 @@ } }, { - "pk": 130, + "pk": 97, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3873051757843, @@ -42827,7 +35249,7 @@ } }, { - "pk": 131, + "pk": 98, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39699012666241, @@ -42849,7 +35271,7 @@ } }, { - "pk": 132, + "pk": 99, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39243592310716, @@ -42871,7 +35293,7 @@ } }, { - "pk": 133, + "pk": 100, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39650851722427, @@ -42893,7 +35315,7 @@ } }, { - "pk": 134, + "pk": 101, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39028549319459, @@ -42915,7 +35337,7 @@ } }, { - "pk": 135, + "pk": 102, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38731399293489, @@ -42937,7 +35359,7 @@ } }, { - "pk": 136, + "pk": 103, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3945101793113, @@ -42959,7 +35381,7 @@ } }, { - "pk": 137, + "pk": 104, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38582973155871, @@ -42981,7 +35403,7 @@ } }, { - "pk": 138, + "pk": 105, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39134900812029, @@ -43003,7 +35425,7 @@ } }, { - "pk": 139, + "pk": 106, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39489120743154, @@ -43025,7 +35447,7 @@ } }, { - "pk": 140, + "pk": 107, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38279935745653, @@ -43047,7 +35469,7 @@ } }, { - "pk": 141, + "pk": 108, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38284938973708, @@ -43069,7 +35491,7 @@ } }, { - "pk": 142, + "pk": 109, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39176668141942, @@ -43091,7 +35513,7 @@ } }, { - "pk": 143, + "pk": 110, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39047657307139, @@ -43113,7 +35535,7 @@ } }, { - "pk": 144, + "pk": 111, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39047003744544, @@ -43135,7 +35557,7 @@ } }, { - "pk": 145, + "pk": 112, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39506913622968, @@ -43157,7 +35579,7 @@ } }, { - "pk": 146, + "pk": 113, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38816583661575, @@ -43179,7 +35601,7 @@ } }, { - "pk": 147, + "pk": 114, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38529393435328, @@ -43201,7 +35623,7 @@ } }, { - "pk": 148, + "pk": 115, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38637200137884, @@ -43223,7 +35645,7 @@ } }, { - "pk": 149, + "pk": 116, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39116021225526, @@ -43245,7 +35667,7 @@ } }, { - "pk": 150, + "pk": 117, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38988379114448, @@ -43267,7 +35689,7 @@ } }, { - "pk": 151, + "pk": 118, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38780771835676, @@ -43289,7 +35711,7 @@ } }, { - "pk": 152, + "pk": 119, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39059285909267, @@ -43311,7 +35733,7 @@ } }, { - "pk": 153, + "pk": 120, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38500489836083, @@ -43333,7 +35755,7 @@ } }, { - "pk": 154, + "pk": 121, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39381399440337, @@ -43355,7 +35777,7 @@ } }, { - "pk": 155, + "pk": 122, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.389609199322, @@ -43377,7 +35799,7 @@ } }, { - "pk": 156, + "pk": 123, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39191214787415, @@ -43399,7 +35821,7 @@ } }, { - "pk": 157, + "pk": 124, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38706979772156, @@ -43421,7 +35843,7 @@ } }, { - "pk": 158, + "pk": 125, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39994943861182, @@ -43443,7 +35865,7 @@ } }, { - "pk": 159, + "pk": 126, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39170386905204, @@ -43465,7 +35887,7 @@ } }, { - "pk": 160, + "pk": 127, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38745364565434, @@ -43487,7 +35909,7 @@ } }, { - "pk": 161, + "pk": 128, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3859921074064, @@ -43509,7 +35931,7 @@ } }, { - "pk": 162, + "pk": 129, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38916666833549, @@ -43531,7 +35953,7 @@ } }, { - "pk": 163, + "pk": 130, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39341030837149, @@ -43553,7 +35975,7 @@ } }, { - "pk": 164, + "pk": 131, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38194098381871, @@ -43575,7 +35997,7 @@ } }, { - "pk": 165, + "pk": 132, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39088024356484, @@ -43597,7 +36019,7 @@ } }, { - "pk": 166, + "pk": 133, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39190037713252, @@ -43619,7 +36041,7 @@ } }, { - "pk": 167, + "pk": 134, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39125841363717, @@ -43641,7 +36063,7 @@ } }, { - "pk": 168, + "pk": 135, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39030460834843, @@ -43663,7 +36085,7 @@ } }, { - "pk": 169, + "pk": 136, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39297284899607, @@ -43685,7 +36107,7 @@ } }, { - "pk": 170, + "pk": 137, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39054486846022, @@ -43707,7 +36129,7 @@ } }, { - "pk": 171, + "pk": 138, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38811821164376, @@ -43729,7 +36151,7 @@ } }, { - "pk": 172, + "pk": 139, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3910101861044, @@ -43751,7 +36173,7 @@ } }, { - "pk": 173, + "pk": 140, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39026245489424, @@ -43773,7 +36195,7 @@ } }, { - "pk": 174, + "pk": 141, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39164164654598, @@ -43795,7 +36217,7 @@ } }, { - "pk": 175, + "pk": 142, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39207017508702, @@ -43817,7 +36239,7 @@ } }, { - "pk": 176, + "pk": 143, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3870473433764, @@ -43839,7 +36261,7 @@ } }, { - "pk": 177, + "pk": 144, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39143572187738, @@ -43861,7 +36283,7 @@ } }, { - "pk": 178, + "pk": 145, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39066190579514, @@ -43883,7 +36305,7 @@ } }, { - "pk": 179, + "pk": 146, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39094091231906, @@ -43905,7 +36327,7 @@ } }, { - "pk": 180, + "pk": 147, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39002032594237, @@ -43927,7 +36349,7 @@ } }, { - "pk": 181, + "pk": 148, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.3905563295052, @@ -43949,7 +36371,7 @@ } }, { - "pk": 182, + "pk": 149, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38724717484848, @@ -43971,7 +36393,7 @@ } }, { - "pk": 183, + "pk": 150, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39272764678159, @@ -43993,7 +36415,7 @@ } }, { - "pk": 184, + "pk": 151, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38875875510587, @@ -44015,7 +36437,7 @@ } }, { - "pk": 185, + "pk": 152, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39084346565852, @@ -44037,7 +36459,7 @@ } }, { - "pk": 186, + "pk": 153, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39399887416616, @@ -44059,7 +36481,7 @@ } }, { - "pk": 187, + "pk": 154, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39259215111177, @@ -44081,7 +36503,7 @@ } }, { - "pk": 188, + "pk": 155, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39049074142381, @@ -44103,7 +36525,7 @@ } }, { - "pk": 189, + "pk": 156, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39494496351787, @@ -44125,7 +36547,7 @@ } }, { - "pk": 190, + "pk": 157, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38763976594671, @@ -44147,7 +36569,7 @@ } }, { - "pk": 191, + "pk": 158, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38745195633321, @@ -44169,7 +36591,7 @@ } }, { - "pk": 192, + "pk": 159, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39213231767427, @@ -44191,7 +36613,7 @@ } }, { - "pk": 193, + "pk": 160, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.39226774730821, @@ -44213,7 +36635,7 @@ } }, { - "pk": 194, + "pk": 161, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38486537367912, @@ -44235,7 +36657,7 @@ } }, { - "pk": 195, + "pk": 162, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38559491438617, @@ -44257,7 +36679,7 @@ } }, { - "pk": 196, + "pk": 163, "model": "pgd_core.sidechain_phe", "fields": { "CG_CD2": 1.38861111156215, @@ -44295,6 +36717,34 @@ { "pk": 2, "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 127.823765045383, + "CD_N": 1.4767823083544, + "CG_CD_N": 102.250376837197, + "CB_CG": 1.54253086121794, + "CD_N_CA": 110.811158446311, + "CG_CD": 1.51043840600965, + "CB_CG_CD": 100.277459375008, + "CA_CB_CG": 103.472263410361 + } +}, +{ + "pk": 3, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 120.649772751528, + "CD_N": 1.47433540190437, + "CG_CD_N": 102.737949577591, + "CB_CG": 1.48019398599595, + "CD_N_CA": 110.227718462428, + "CG_CD": 1.51304511651758, + "CB_CG_CD": 102.305282846962, + "CA_CB_CG": 102.619979395967 + } +}, +{ + "pk": 4, + "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.257834783588, "CD_N": 1.48502192047084, @@ -44307,7 +36757,7 @@ } }, { - "pk": 3, + "pk": 5, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.000701647827, @@ -44320,79 +36770,9 @@ "CA_CB_CG": 105.020033201224 } }, -{ - "pk": 4, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.554454957634, - "CD_N": 1.46554521958616, - "CG_CD_N": 103.252175407909, - "CB_CG": 1.49704514750813, - "CD_N_CA": 111.406650735535, - "CG_CD": 1.517977121757, - "CB_CG_CD": 104.018577515564, - "CA_CB_CG": 102.858189877441 - } -}, -{ - "pk": 5, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.664358163003, - "CD_N": 1.49292506683288, - "CG_CD_N": 104.496942775583, - "CB_CG": 1.49476091122379, - "CD_N_CA": 110.289979929718, - "CG_CD": 1.49171873525601, - "CB_CG_CD": 103.570105848672, - "CA_CB_CG": 105.898193343063 - } -}, { "pk": 6, "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 128.371333082317, - "CD_N": 1.4691631742368, - "CG_CD_N": 102.305068821147, - "CB_CG": 1.48751161719406, - "CD_N_CA": 111.331723431484, - "CG_CD": 1.51638046762036, - "CB_CG_CD": 102.393548688345, - "CA_CB_CG": 105.700675515844 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.823765045383, - "CD_N": 1.4767823083544, - "CG_CD_N": 102.250376837197, - "CB_CG": 1.54253086121794, - "CD_N_CA": 110.811158446311, - "CG_CD": 1.51043840600965, - "CB_CG_CD": 100.277459375008, - "CA_CB_CG": 103.472263410361 - } -}, -{ - "pk": 8, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 120.649772751528, - "CD_N": 1.47433540190437, - "CG_CD_N": 102.737949577591, - "CB_CG": 1.48019398599595, - "CD_N_CA": 110.227718462428, - "CG_CD": 1.51304511651758, - "CB_CG_CD": 102.305282846962, - "CA_CB_CG": 102.619979395967 - } -}, -{ - "pk": 9, - "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.33980376452, "CD_N": 1.46402527032212, @@ -44405,21 +36785,7 @@ } }, { - "pk": 10, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.639456264863, - "CD_N": 1.47509564091004, - "CG_CD_N": 102.53203967562, - "CB_CG": 1.54342956369452, - "CD_N_CA": 111.840764604179, - "CG_CD": 1.46567615410473, - "CB_CG_CD": 103.217308963162, - "CA_CB_CG": 102.661822141642 - } -}, -{ - "pk": 11, + "pk": 7, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.261673447308, @@ -44433,7 +36799,21 @@ } }, { - "pk": 12, + "pk": 8, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 127.554454957634, + "CD_N": 1.46554521958616, + "CG_CD_N": 103.252175407909, + "CB_CG": 1.49704514750813, + "CD_N_CA": 111.406650735535, + "CG_CD": 1.517977121757, + "CB_CG_CD": 104.018577515564, + "CA_CB_CG": 102.858189877441 + } +}, +{ + "pk": 9, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.653831731589, @@ -44447,7 +36827,7 @@ } }, { - "pk": 13, + "pk": 10, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 122.432818423699, @@ -44461,7 +36841,7 @@ } }, { - "pk": 14, + "pk": 11, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.305139643962, @@ -44475,7 +36855,21 @@ } }, { - "pk": 15, + "pk": 12, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 127.664358163003, + "CD_N": 1.49292506683288, + "CG_CD_N": 104.496942775583, + "CB_CG": 1.49476091122379, + "CD_N_CA": 110.289979929718, + "CG_CD": 1.49171873525601, + "CB_CG_CD": 103.570105848672, + "CA_CB_CG": 105.898193343063 + } +}, +{ + "pk": 13, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.524147210729, @@ -44489,7 +36883,7 @@ } }, { - "pk": 16, + "pk": 14, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.271848715891, @@ -44503,7 +36897,7 @@ } }, { - "pk": 17, + "pk": 15, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.370862194378, @@ -44517,7 +36911,21 @@ } }, { - "pk": 18, + "pk": 16, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 128.371333082317, + "CD_N": 1.4691631742368, + "CG_CD_N": 102.305068821147, + "CB_CG": 1.48751161719406, + "CD_N_CA": 111.331723431484, + "CG_CD": 1.51638046762036, + "CB_CG_CD": 102.393548688345, + "CA_CB_CG": 105.700675515844 + } +}, +{ + "pk": 17, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.812899811931, @@ -44531,7 +36939,7 @@ } }, { - "pk": 19, + "pk": 18, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.777245593664, @@ -44544,6 +36952,20 @@ "CA_CB_CG": 105.563216601199 } }, +{ + "pk": 19, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 125.639456264863, + "CD_N": 1.47509564091004, + "CG_CD_N": 102.53203967562, + "CB_CG": 1.54342956369452, + "CD_N_CA": 111.840764604179, + "CG_CD": 1.46567615410473, + "CB_CG_CD": 103.217308963162, + "CA_CB_CG": 102.661822141642 + } +}, { "pk": 20, "model": "pgd_core.sidechain_pro", @@ -44688,131 +37110,201 @@ "pk": 30, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 126.314056777327, - "CD_N": 1.46779821225225, - "CG_CD_N": 99.3906691848361, - "CB_CG": 1.49008806246535, - "CD_N_CA": 112.400505592368, - "CG_CD": 1.54655366829175, - "CB_CG_CD": 103.35598647046, - "CA_CB_CG": 103.597766234012 + "CD_N_C_1": 126.54285580253, + "CD_N": 1.47970672956521, + "CG_CD_N": 101.345551355942, + "CB_CG": 1.51866738431359, + "CD_N_CA": 112.281346177365, + "CG_CD": 1.5305826282338, + "CB_CG_CD": 102.883094443541, + "CA_CB_CG": 102.361529474727 } }, { "pk": 31, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 126.31036624248, - "CD_N": 1.47645134211463, - "CG_CD_N": 101.007434819513, - "CB_CG": 1.49403147368424, - "CD_N_CA": 112.170599635523, - "CG_CD": 1.52225705680657, - "CB_CG_CD": 104.979958698212, - "CA_CB_CG": 102.707299244565 + "CD_N_C_1": 125.66270790694, + "CD_N": 1.47780500356981, + "CG_CD_N": 103.531267187502, + "CB_CG": 1.55121457909787, + "CD_N_CA": 112.912176117902, + "CG_CD": 1.50290432879445, + "CB_CG_CD": 105.907020022209, + "CA_CB_CG": 105.066871267728 } }, { "pk": 32, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 127.804091103917, - "CD_N": 1.47859363499908, - "CG_CD_N": 102.363108067385, - "CB_CG": 1.52912989892538, - "CD_N_CA": 112.087773160927, - "CG_CD": 1.53256664799824, - "CB_CG_CD": 102.851944666513, - "CA_CB_CG": 103.578744477067 + "CD_N_C_1": 122.401623216723, + "CD_N": 1.47432539486209, + "CG_CD_N": 104.148544117994, + "CB_CG": 1.49856906169205, + "CD_N_CA": 112.466768499507, + "CG_CD": 1.48820638664561, + "CB_CG_CD": 107.411549603881, + "CA_CB_CG": 107.226544575316 } }, { "pk": 33, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 126.623783730068, - "CD_N": 1.47478801305186, - "CG_CD_N": 103.56584586951, - "CB_CG": 1.50674002303109, - "CD_N_CA": 112.272184228812, - "CG_CD": 1.49229721067699, - "CB_CG_CD": 106.593879377656, - "CA_CB_CG": 104.587655026464 + "CD_N_C_1": 124.522793458938, + "CD_N": 1.46814493291877, + "CG_CD_N": 101.591067474481, + "CB_CG": 1.42847122794176, + "CD_N_CA": 112.739006867884, + "CG_CD": 1.50935459033411, + "CB_CG_CD": 109.617339665751, + "CA_CB_CG": 105.98227964813 } }, { "pk": 34, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 127.806656188222, - "CD_N": 1.47419039459476, - "CG_CD_N": 102.889533574491, - "CB_CG": 1.49201993142694, - "CD_N_CA": 112.069706298907, - "CG_CD": 1.51509919811357, - "CB_CG_CD": 104.832167503808, - "CA_CB_CG": 104.297950134726 + "CD_N_C_1": 125.382840872903, + "CD_N": 1.46488003229027, + "CG_CD_N": 103.2322095313, + "CB_CG": 1.46003951680067, + "CD_N_CA": 112.59965518634, + "CG_CD": 1.52566928900322, + "CB_CG_CD": 110.292006414916, + "CA_CB_CG": 106.991493803873 } }, { "pk": 35, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 127.172042392859, - "CD_N": 1.47837561706199, - "CG_CD_N": 101.609079482095, - "CB_CG": 1.47113739982266, - "CD_N_CA": 111.188435210856, - "CG_CD": 1.51215825860227, - "CB_CG_CD": 104.617694778195, - "CA_CB_CG": 104.601072989424 + "CD_N_C_1": 125.291695531147, + "CD_N": 1.48461162801472, + "CG_CD_N": 103.02566530382, + "CB_CG": 1.49532898266732, + "CD_N_CA": 112.599327250081, + "CG_CD": 1.50059797268361, + "CB_CG_CD": 106.51603319373, + "CA_CB_CG": 105.005986286524 } }, { "pk": 36, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 125.807661916076, - "CD_N": 1.47704396415537, - "CG_CD_N": 103.866418167688, - "CB_CG": 1.53633171115377, - "CD_N_CA": 112.359682047863, - "CG_CD": 1.51709082760807, - "CB_CG_CD": 103.23446264485, - "CA_CB_CG": 104.252128258925 + "CD_N_C_1": 126.10894657401, + "CD_N": 1.47708352052344, + "CG_CD_N": 103.816722416197, + "CB_CG": 1.4596050983199, + "CD_N_CA": 112.918694321307, + "CG_CD": 1.49485609939519, + "CB_CG_CD": 110.472998723121, + "CA_CB_CG": 106.886147948659 } }, { "pk": 37, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 124.63837863889, - "CD_N": 1.47348551041957, - "CG_CD_N": 104.099135290111, - "CB_CG": 1.47099518161349, - "CD_N_CA": 113.094377824725, - "CG_CD": 1.4768654059878, - "CB_CG_CD": 110.45776646065, - "CA_CB_CG": 106.708422252825 + "CD_N_C_1": 126.881795918416, + "CD_N": 1.47676886264979, + "CG_CD_N": 100.80677816047, + "CB_CG": 1.51146633582687, + "CD_N_CA": 112.343198929374, + "CG_CD": 1.5263100469978, + "CB_CG_CD": 103.339216422919, + "CA_CB_CG": 103.054492692749 } }, { "pk": 38, "model": "pgd_core.sidechain_pro", "fields": { - "CD_N_C_1": 125.867756335203, - "CD_N": 1.47671351443638, - "CG_CD_N": 104.656585417206, - "CB_CG": 1.53572701377804, - "CD_N_CA": 113.854751545789, - "CG_CD": 1.50797322489822, - "CB_CG_CD": 107.043788890317, - "CA_CB_CG": 106.793340534673 + "CD_N_C_1": 125.818429336621, + "CD_N": 1.46915767034408, + "CG_CD_N": 101.942572343255, + "CB_CG": 1.49434306369896, + "CD_N_CA": 112.602306989758, + "CG_CD": 1.4896286827549, + "CB_CG_CD": 106.022526909346, + "CA_CB_CG": 105.000532117776 } }, { "pk": 39, "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 125.983474370812, + "CD_N": 1.47595596149444, + "CG_CD_N": 105.169868992527, + "CB_CG": 1.46883829247428, + "CD_N_CA": 112.229185670963, + "CG_CD": 1.48217455618729, + "CB_CG_CD": 110.060160925388, + "CA_CB_CG": 107.878201946001 + } +}, +{ + "pk": 40, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 127.232729887916, + "CD_N": 1.47673652990265, + "CG_CD_N": 101.841836578796, + "CB_CG": 1.52228212357546, + "CD_N_CA": 112.215421150432, + "CG_CD": 1.52091405053609, + "CB_CG_CD": 103.627465476148, + "CA_CB_CG": 102.322618065685 + } +}, +{ + "pk": 41, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 127.955993079324, + "CD_N": 1.47035007326577, + "CG_CD_N": 102.765907855444, + "CB_CG": 1.46115868009464, + "CD_N_CA": 112.423611716038, + "CG_CD": 1.50421967017844, + "CB_CG_CD": 107.8072397432, + "CA_CB_CG": 104.486022009649 + } +}, +{ + "pk": 42, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 127.317353955859, + "CD_N": 1.47669345119371, + "CG_CD_N": 100.74671559199, + "CB_CG": 1.50283503612043, + "CD_N_CA": 111.782093044078, + "CG_CD": 1.51571213249282, + "CB_CG_CD": 103.664717428339, + "CA_CB_CG": 104.076628007696 + } +}, +{ + "pk": 43, + "model": "pgd_core.sidechain_pro", + "fields": { + "CD_N_C_1": 124.163517905185, + "CD_N": 1.47751738754001, + "CG_CD_N": 103.644195492337, + "CB_CG": 1.47338398762473, + "CD_N_CA": 111.364895329986, + "CG_CD": 1.53759898868509, + "CB_CG_CD": 105.77454554694, + "CA_CB_CG": 104.399641884934 + } +}, +{ + "pk": 44, + "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.820097805109, "CD_N": 1.47215815959675, @@ -44825,7 +37317,7 @@ } }, { - "pk": 40, + "pk": 45, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.897434818099, @@ -44839,7 +37331,7 @@ } }, { - "pk": 41, + "pk": 46, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.641902732965, @@ -44853,7 +37345,7 @@ } }, { - "pk": 42, + "pk": 47, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.007046290716, @@ -44867,7 +37359,7 @@ } }, { - "pk": 43, + "pk": 48, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.114554912126, @@ -44881,21 +37373,7 @@ } }, { - "pk": 44, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.345210500296, - "CD_N": 1.46751937617401, - "CG_CD_N": 103.42720854265, - "CB_CG": 1.476037263696, - "CD_N_CA": 111.946776571606, - "CG_CD": 1.50445676658552, - "CB_CG_CD": 105.631633451765, - "CA_CB_CG": 104.185830949322 - } -}, -{ - "pk": 45, + "pk": 49, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.150830781767, @@ -44909,49 +37387,7 @@ } }, { - "pk": 46, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.70453532685, - "CD_N": 1.47731586275862, - "CG_CD_N": 100.969047942704, - "CB_CG": 1.49750824773246, - "CD_N_CA": 111.555771102682, - "CG_CD": 1.53412639329961, - "CB_CG_CD": 102.946430085282, - "CA_CB_CG": 103.539873016781 - } -}, -{ - "pk": 47, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.431951067284, - "CD_N": 1.47269905063217, - "CG_CD_N": 102.562195792739, - "CB_CG": 1.46933657188269, - "CD_N_CA": 112.957291707559, - "CG_CD": 1.51376861325486, - "CB_CG_CD": 108.028398329576, - "CA_CB_CG": 105.833958854544 - } -}, -{ - "pk": 48, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.087727264887, - "CD_N": 1.47899544874839, - "CG_CD_N": 102.864486271703, - "CB_CG": 1.49068624179694, - "CD_N_CA": 112.366183316732, - "CG_CD": 1.52274777912474, - "CB_CG_CD": 104.984479890441, - "CA_CB_CG": 104.9535301958 - } -}, -{ - "pk": 49, + "pk": 50, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.156921592299, @@ -44965,7 +37401,7 @@ } }, { - "pk": 50, + "pk": 51, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.978340407075, @@ -44979,7 +37415,7 @@ } }, { - "pk": 51, + "pk": 52, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.457289258163, @@ -44993,7 +37429,7 @@ } }, { - "pk": 52, + "pk": 53, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.338779805284, @@ -45006,51 +37442,9 @@ "CA_CB_CG": 101.426287375031 } }, -{ - "pk": 53, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.143518675477, - "CD_N": 1.47622597379515, - "CG_CD_N": 101.999093852494, - "CB_CG": 1.48592892395035, - "CD_N_CA": 112.952672508992, - "CG_CD": 1.52207976151059, - "CB_CG_CD": 106.536463785787, - "CA_CB_CG": 103.779589967283 - } -}, { "pk": 54, "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.893959398452, - "CD_N": 1.46679685523672, - "CG_CD_N": 102.547110379367, - "CB_CG": 1.47601434966475, - "CD_N_CA": 112.309865586081, - "CG_CD": 1.46718130952653, - "CB_CG_CD": 110.185319797463, - "CA_CB_CG": 106.103529020628 - } -}, -{ - "pk": 55, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.248504489894, - "CD_N": 1.46802972171531, - "CG_CD_N": 103.849023480223, - "CB_CG": 1.45645554133655, - "CD_N_CA": 112.811246990324, - "CG_CD": 1.46843647681301, - "CB_CG_CD": 111.0824934827, - "CA_CB_CG": 107.31381483864 - } -}, -{ - "pk": 56, - "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.711434488927, "CD_N": 1.4703044568399, @@ -45063,21 +37457,7 @@ } }, { - "pk": 57, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.221161953017, - "CD_N": 1.47468858979512, - "CG_CD_N": 103.422902500218, - "CB_CG": 1.47887079824675, - "CD_N_CA": 112.257200846875, - "CG_CD": 1.51560414247577, - "CB_CG_CD": 107.315895176702, - "CA_CB_CG": 104.80870203897 - } -}, -{ - "pk": 58, + "pk": 55, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.974130531717, @@ -45091,7 +37471,7 @@ } }, { - "pk": 59, + "pk": 56, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.232179433155, @@ -45105,21 +37485,7 @@ } }, { - "pk": 60, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.233117312626, - "CD_N": 1.47756198853484, - "CG_CD_N": 102.44900507506, - "CB_CG": 1.54142854218804, - "CD_N_CA": 112.724352617335, - "CG_CD": 1.5194382382956, - "CB_CG_CD": 104.343091929698, - "CA_CB_CG": 104.626889918017 - } -}, -{ - "pk": 61, + "pk": 57, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.245943928408, @@ -45133,7 +37499,7 @@ } }, { - "pk": 62, + "pk": 58, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.802442730993, @@ -45147,7 +37513,7 @@ } }, { - "pk": 63, + "pk": 59, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 131.670341911092, @@ -45161,7 +37527,7 @@ } }, { - "pk": 64, + "pk": 60, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.016525922081, @@ -45175,35 +37541,7 @@ } }, { - "pk": 65, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.010656660062, - "CD_N": 1.46971513229368, - "CG_CD_N": 103.719267699845, - "CB_CG": 1.4915960391537, - "CD_N_CA": 113.396780168613, - "CG_CD": 1.49432289688388, - "CB_CG_CD": 109.301702507563, - "CA_CB_CG": 105.623434466492 - } -}, -{ - "pk": 66, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.893430223545, - "CD_N": 1.47806706746176, - "CG_CD_N": 103.817503087551, - "CB_CG": 1.52856191697675, - "CD_N_CA": 113.548536370649, - "CG_CD": 1.51944420760641, - "CB_CG_CD": 106.310697557404, - "CA_CB_CG": 105.475356024077 - } -}, -{ - "pk": 67, + "pk": 61, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.068095551816, @@ -45217,21 +37555,7 @@ } }, { - "pk": 68, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.041103974676, - "CD_N": 1.47363146053901, - "CG_CD_N": 101.35772648335, - "CB_CG": 1.50722614347793, - "CD_N_CA": 111.857686615652, - "CG_CD": 1.53969207961943, - "CB_CG_CD": 102.568232866762, - "CA_CB_CG": 104.29392636308 - } -}, -{ - "pk": 69, + "pk": 62, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.673114924459, @@ -45245,7 +37569,7 @@ } }, { - "pk": 70, + "pk": 63, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 121.442132848431, @@ -45259,49 +37583,7 @@ } }, { - "pk": 71, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.234720139989, - "CD_N": 1.46989299035197, - "CG_CD_N": 103.097758400109, - "CB_CG": 1.50666594992904, - "CD_N_CA": 112.470426606971, - "CG_CD": 1.52694629291495, - "CB_CG_CD": 105.074308869486, - "CA_CB_CG": 104.172144015791 - } -}, -{ - "pk": 72, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 128.263042051148, - "CD_N": 1.47893681250448, - "CG_CD_N": 101.249124622692, - "CB_CG": 1.53274374828971, - "CD_N_CA": 112.49702220349, - "CG_CD": 1.51614381025572, - "CB_CG_CD": 102.927873244852, - "CA_CB_CG": 103.151407126048 - } -}, -{ - "pk": 73, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.093616071818, - "CD_N": 1.4674269453923, - "CG_CD_N": 102.919437396382, - "CB_CG": 1.53892648174618, - "CD_N_CA": 112.402384703436, - "CG_CD": 1.50819034254015, - "CB_CG_CD": 103.346158767596, - "CA_CB_CG": 103.986276033384 - } -}, -{ - "pk": 74, + "pk": 64, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.210708413953, @@ -45315,7 +37597,7 @@ } }, { - "pk": 75, + "pk": 65, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.068484080795, @@ -45329,7 +37611,7 @@ } }, { - "pk": 76, + "pk": 66, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.164932797776, @@ -45343,21 +37625,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.662148701694, - "CD_N": 1.47932800866369, - "CG_CD_N": 104.623674424572, - "CB_CG": 1.52597377191125, - "CD_N_CA": 112.635210533845, - "CG_CD": 1.4650507669993, - "CB_CG_CD": 105.940676591105, - "CA_CB_CG": 105.243458316923 - } -}, -{ - "pk": 78, + "pk": 67, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.615666375937, @@ -45371,35 +37639,7 @@ } }, { - "pk": 79, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.474070809983, - "CD_N": 1.47917273114251, - "CG_CD_N": 100.959671779052, - "CB_CG": 1.48378465416346, - "CD_N_CA": 112.280392144624, - "CG_CD": 1.53882883207967, - "CB_CG_CD": 104.707738998879, - "CA_CB_CG": 103.154110003086 - } -}, -{ - "pk": 80, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 123.845240404421, - "CD_N": 1.47025546300237, - "CG_CD_N": 103.208960675468, - "CB_CG": 1.51887540415658, - "CD_N_CA": 114.040761308418, - "CG_CD": 1.49769471677049, - "CB_CG_CD": 107.98117158019, - "CA_CB_CG": 106.128979780203 - } -}, -{ - "pk": 81, + "pk": 68, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.178962039266, @@ -45413,7 +37653,7 @@ } }, { - "pk": 82, + "pk": 69, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 136.208465917621, @@ -45427,49 +37667,7 @@ } }, { - "pk": 83, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.69788536173, - "CD_N": 1.4742206109826, - "CG_CD_N": 100.32780095387, - "CB_CG": 1.47103331324563, - "CD_N_CA": 111.156833675256, - "CG_CD": 1.49736531309508, - "CB_CG_CD": 104.582635761543, - "CA_CB_CG": 102.482272032005 - } -}, -{ - "pk": 84, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 128.981268726182, - "CD_N": 1.47475287851186, - "CG_CD_N": 101.331842189344, - "CB_CG": 1.47484378443688, - "CD_N_CA": 112.549374991081, - "CG_CD": 1.53673808250396, - "CB_CG_CD": 105.838019408279, - "CA_CB_CG": 105.43843670769 - } -}, -{ - "pk": 85, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.699733293426, - "CD_N": 1.47440717148548, - "CG_CD_N": 102.275882618792, - "CB_CG": 1.50499489836323, - "CD_N_CA": 113.297879521535, - "CG_CD": 1.52306691442785, - "CB_CG_CD": 106.351783419689, - "CA_CB_CG": 105.063481850828 - } -}, -{ - "pk": 86, + "pk": 70, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.307230975893, @@ -45483,7 +37681,7 @@ } }, { - "pk": 87, + "pk": 71, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.699041828286, @@ -45497,7 +37695,7 @@ } }, { - "pk": 88, + "pk": 72, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.738934680822, @@ -45511,7 +37709,7 @@ } }, { - "pk": 89, + "pk": 73, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.501588514371, @@ -45525,7 +37723,7 @@ } }, { - "pk": 90, + "pk": 74, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.12587541447, @@ -45539,7 +37737,7 @@ } }, { - "pk": 91, + "pk": 75, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.748505828448, @@ -45553,21 +37751,7 @@ } }, { - "pk": 92, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.301651108103, - "CD_N": 1.46935666822778, - "CG_CD_N": 104.689332435761, - "CB_CG": 1.48778802506271, - "CD_N_CA": 113.182117879158, - "CG_CD": 1.48382049661496, - "CB_CG_CD": 109.728523948087, - "CA_CB_CG": 107.381771904548 - } -}, -{ - "pk": 93, + "pk": 76, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.120703768759, @@ -45581,21 +37765,7 @@ } }, { - "pk": 94, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 123.382822847612, - "CD_N": 1.45975929488094, - "CG_CD_N": 103.257052288648, - "CB_CG": 1.52059694512382, - "CD_N_CA": 112.342761420799, - "CG_CD": 1.50882612369702, - "CB_CG_CD": 109.504035747467, - "CA_CB_CG": 105.433274404964 - } -}, -{ - "pk": 95, + "pk": 77, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.167221035053, @@ -45609,35 +37779,7 @@ } }, { - "pk": 96, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.837350372197, - "CD_N": 1.47182612586422, - "CG_CD_N": 101.637122195925, - "CB_CG": 1.4642102395865, - "CD_N_CA": 111.815999609641, - "CG_CD": 1.52082096960978, - "CB_CG_CD": 105.123634983957, - "CA_CB_CG": 104.078229913272 - } -}, -{ - "pk": 97, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 124.057192075281, - "CD_N": 1.46840195575889, - "CG_CD_N": 104.864771898706, - "CB_CG": 1.48212512992635, - "CD_N_CA": 113.577634415705, - "CG_CD": 1.51895085505909, - "CB_CG_CD": 109.571939938695, - "CA_CB_CG": 107.240405017436 - } -}, -{ - "pk": 98, + "pk": 78, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.627807159079, @@ -45651,21 +37793,7 @@ } }, { - "pk": 99, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.623477940882, - "CD_N": 1.47534593120114, - "CG_CD_N": 101.863812832, - "CB_CG": 1.50823646690682, - "CD_N_CA": 111.801185028369, - "CG_CD": 1.51459800439073, - "CB_CG_CD": 102.964402236485, - "CA_CB_CG": 103.672068131508 - } -}, -{ - "pk": 100, + "pk": 79, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.563664984678, @@ -45679,7 +37807,7 @@ } }, { - "pk": 101, + "pk": 80, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 123.544728132001, @@ -45693,49 +37821,7 @@ } }, { - "pk": 102, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 124.461015347031, - "CD_N": 1.46875606332924, - "CG_CD_N": 103.025676608082, - "CB_CG": 1.5098588712413, - "CD_N_CA": 112.820093167087, - "CG_CD": 1.52382024792464, - "CB_CG_CD": 108.451079021292, - "CA_CB_CG": 105.861114864563 - } -}, -{ - "pk": 103, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.629577314064, - "CD_N": 1.47933497934159, - "CG_CD_N": 102.368508819154, - "CB_CG": 1.50022780551246, - "CD_N_CA": 112.037923727587, - "CG_CD": 1.52484600330821, - "CB_CG_CD": 104.091174063549, - "CA_CB_CG": 103.720763561159 - } -}, -{ - "pk": 104, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.644786885178, - "CD_N": 1.4781815258059, - "CG_CD_N": 101.632413659674, - "CB_CG": 1.49255495455235, - "CD_N_CA": 111.763642706205, - "CG_CD": 1.4961931181927, - "CB_CG_CD": 103.43356452498, - "CA_CB_CG": 102.976787671945 - } -}, -{ - "pk": 105, + "pk": 81, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 136.06105187289, @@ -45749,7 +37835,7 @@ } }, { - "pk": 106, + "pk": 82, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.369254483712, @@ -45763,21 +37849,7 @@ } }, { - "pk": 107, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.714170206069, - "CD_N": 1.47253538898763, - "CG_CD_N": 100.449908749932, - "CB_CG": 1.48581640558056, - "CD_N_CA": 111.31843130396, - "CG_CD": 1.50036020845625, - "CB_CG_CD": 104.366592017977, - "CA_CB_CG": 102.966093341615 - } -}, -{ - "pk": 108, + "pk": 83, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.69244913589, @@ -45791,49 +37863,7 @@ } }, { - "pk": 109, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 123.967398791018, - "CD_N": 1.47265598787135, - "CG_CD_N": 101.67027568378, - "CB_CG": 1.48089269322739, - "CD_N_CA": 111.788884813366, - "CG_CD": 1.4812738003266, - "CB_CG_CD": 104.934456693732, - "CA_CB_CG": 102.454989011465 - } -}, -{ - "pk": 110, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.541662542333, - "CD_N": 1.47350920126698, - "CG_CD_N": 103.428469438772, - "CB_CG": 1.47968180321524, - "CD_N_CA": 112.695558506463, - "CG_CD": 1.51788918452797, - "CB_CG_CD": 107.284160774322, - "CA_CB_CG": 105.490673894652 - } -}, -{ - "pk": 111, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.598955273659, - "CD_N": 1.47268111515307, - "CG_CD_N": 101.801356626175, - "CB_CG": 1.4514559287716, - "CD_N_CA": 112.392743784071, - "CG_CD": 1.5042626923006, - "CB_CG_CD": 108.552954587055, - "CA_CB_CG": 106.631982526624 - } -}, -{ - "pk": 112, + "pk": 84, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.535353991237, @@ -45847,77 +37877,7 @@ } }, { - "pk": 113, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.908983884951, - "CD_N": 1.47577800416456, - "CG_CD_N": 102.091029392856, - "CB_CG": 1.4448504553801, - "CD_N_CA": 111.198422149983, - "CG_CD": 1.51404549560377, - "CB_CG_CD": 104.517603641166, - "CA_CB_CG": 103.348012443852 - } -}, -{ - "pk": 114, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.609523303029, - "CD_N": 1.47591600979532, - "CG_CD_N": 100.400354845775, - "CB_CG": 1.48082500029153, - "CD_N_CA": 111.620058297752, - "CG_CD": 1.49988152360782, - "CB_CG_CD": 103.937244286834, - "CA_CB_CG": 102.634419881622 - } -}, -{ - "pk": 115, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.417679879815, - "CD_N": 1.4785661922912, - "CG_CD_N": 101.98082214964, - "CB_CG": 1.46610817753496, - "CD_N_CA": 111.056321812364, - "CG_CD": 1.54971909082557, - "CB_CG_CD": 105.859755519181, - "CA_CB_CG": 102.512825510568 - } -}, -{ - "pk": 116, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.956421392535, - "CD_N": 1.47937165290143, - "CG_CD_N": 102.212435668094, - "CB_CG": 1.51024906591734, - "CD_N_CA": 112.38226249057, - "CG_CD": 1.53952163921619, - "CB_CG_CD": 104.027557910564, - "CA_CB_CG": 103.667523368237 - } -}, -{ - "pk": 117, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.620723890518, - "CD_N": 1.47558272763994, - "CG_CD_N": 101.825693753234, - "CB_CG": 1.52139063186546, - "CD_N_CA": 112.601401290281, - "CG_CD": 1.49616837491897, - "CB_CG_CD": 106.132849398009, - "CA_CB_CG": 105.283086845172 - } -}, -{ - "pk": 118, + "pk": 85, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.820377477263, @@ -45931,49 +37891,7 @@ } }, { - "pk": 119, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.624004336618, - "CD_N": 1.47071845892719, - "CG_CD_N": 102.685574871574, - "CB_CG": 1.50340448246141, - "CD_N_CA": 111.914874256188, - "CG_CD": 1.51601199390214, - "CB_CG_CD": 105.481074858356, - "CA_CB_CG": 101.854115339243 - } -}, -{ - "pk": 120, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 128.122808663403, - "CD_N": 1.47260203508085, - "CG_CD_N": 103.101809855129, - "CB_CG": 1.48319244182049, - "CD_N_CA": 111.433344962758, - "CG_CD": 1.56412885191721, - "CB_CG_CD": 103.259386892445, - "CA_CB_CG": 103.701427602199 - } -}, -{ - "pk": 121, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.69705130667, - "CD_N": 1.47324565041299, - "CG_CD_N": 101.728549568381, - "CB_CG": 1.5013163831146, - "CD_N_CA": 111.922593334459, - "CG_CD": 1.5407685564971, - "CB_CG_CD": 103.133276575718, - "CA_CB_CG": 101.920096243326 - } -}, -{ - "pk": 122, + "pk": 86, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.60810615886, @@ -45987,91 +37905,7 @@ } }, { - "pk": 123, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.969298191313, - "CD_N": 1.47412303405928, - "CG_CD_N": 103.409070388029, - "CB_CG": 1.4933551132989, - "CD_N_CA": 112.619984117313, - "CG_CD": 1.49160960124281, - "CB_CG_CD": 106.769315664724, - "CA_CB_CG": 106.610072052566 - } -}, -{ - "pk": 124, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.332497631951, - "CD_N": 1.47256902017066, - "CG_CD_N": 102.898878393761, - "CB_CG": 1.4892652805002, - "CD_N_CA": 111.428607547713, - "CG_CD": 1.56185669266775, - "CB_CG_CD": 102.437454018682, - "CA_CB_CG": 103.063989033041 - } -}, -{ - "pk": 125, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 123.917913079367, - "CD_N": 1.47361328828714, - "CG_CD_N": 103.10937489959, - "CB_CG": 1.522981472071, - "CD_N_CA": 112.11715907577, - "CG_CD": 1.55779521279071, - "CB_CG_CD": 102.94222078672, - "CA_CB_CG": 103.185566393785 - } -}, -{ - "pk": 126, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.713953038804, - "CD_N": 1.47979617167096, - "CG_CD_N": 102.306984576854, - "CB_CG": 1.50882774751251, - "CD_N_CA": 111.457570823379, - "CG_CD": 1.52809617080477, - "CB_CG_CD": 108.732871794123, - "CA_CB_CG": 104.730966089856 - } -}, -{ - "pk": 127, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.558661460595, - "CD_N": 1.47778724753168, - "CG_CD_N": 104.284810738684, - "CB_CG": 1.48881008296663, - "CD_N_CA": 112.155151028905, - "CG_CD": 1.4948729642544, - "CB_CG_CD": 106.566394220771, - "CA_CB_CG": 105.264957913131 - } -}, -{ - "pk": 128, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.4642756281, - "CD_N": 1.47848509207381, - "CG_CD_N": 104.537576212323, - "CB_CG": 1.58293216649163, - "CD_N_CA": 113.296255136271, - "CG_CD": 1.50554660733284, - "CB_CG_CD": 106.230351539496, - "CA_CB_CG": 106.462494704056 - } -}, -{ - "pk": 129, + "pk": 87, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.710303746746, @@ -46085,7 +37919,7 @@ } }, { - "pk": 130, + "pk": 88, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.399954860454, @@ -46099,63 +37933,7 @@ } }, { - "pk": 131, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.54285580253, - "CD_N": 1.47970672956521, - "CG_CD_N": 101.345551355942, - "CB_CG": 1.51866738431359, - "CD_N_CA": 112.281346177365, - "CG_CD": 1.5305826282338, - "CB_CG_CD": 102.883094443541, - "CA_CB_CG": 102.361529474727 - } -}, -{ - "pk": 132, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.66270790694, - "CD_N": 1.47780500356981, - "CG_CD_N": 103.531267187502, - "CB_CG": 1.55121457909787, - "CD_N_CA": 112.912176117902, - "CG_CD": 1.50290432879445, - "CB_CG_CD": 105.907020022209, - "CA_CB_CG": 105.066871267728 - } -}, -{ - "pk": 133, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 122.401623216723, - "CD_N": 1.47432539486209, - "CG_CD_N": 104.148544117994, - "CB_CG": 1.49856906169205, - "CD_N_CA": 112.466768499507, - "CG_CD": 1.48820638664561, - "CB_CG_CD": 107.411549603881, - "CA_CB_CG": 107.226544575316 - } -}, -{ - "pk": 134, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 124.522793458938, - "CD_N": 1.46814493291877, - "CG_CD_N": 101.591067474481, - "CB_CG": 1.42847122794176, - "CD_N_CA": 112.739006867884, - "CG_CD": 1.50935459033411, - "CB_CG_CD": 109.617339665751, - "CA_CB_CG": 105.98227964813 - } -}, -{ - "pk": 135, + "pk": 89, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 131.211647707491, @@ -46169,119 +37947,7 @@ } }, { - "pk": 136, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.382840872903, - "CD_N": 1.46488003229027, - "CG_CD_N": 103.2322095313, - "CB_CG": 1.46003951680067, - "CD_N_CA": 112.59965518634, - "CG_CD": 1.52566928900322, - "CB_CG_CD": 110.292006414916, - "CA_CB_CG": 106.991493803873 - } -}, -{ - "pk": 137, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.291695531147, - "CD_N": 1.48461162801472, - "CG_CD_N": 103.02566530382, - "CB_CG": 1.49532898266732, - "CD_N_CA": 112.599327250081, - "CG_CD": 1.50059797268361, - "CB_CG_CD": 106.51603319373, - "CA_CB_CG": 105.005986286524 - } -}, -{ - "pk": 138, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.10894657401, - "CD_N": 1.47708352052344, - "CG_CD_N": 103.816722416197, - "CB_CG": 1.4596050983199, - "CD_N_CA": 112.918694321307, - "CG_CD": 1.49485609939519, - "CB_CG_CD": 110.472998723121, - "CA_CB_CG": 106.886147948659 - } -}, -{ - "pk": 139, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 126.881795918416, - "CD_N": 1.47676886264979, - "CG_CD_N": 100.80677816047, - "CB_CG": 1.51146633582687, - "CD_N_CA": 112.343198929374, - "CG_CD": 1.5263100469978, - "CB_CG_CD": 103.339216422919, - "CA_CB_CG": 103.054492692749 - } -}, -{ - "pk": 140, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.818429336621, - "CD_N": 1.46915767034408, - "CG_CD_N": 101.942572343255, - "CB_CG": 1.49434306369896, - "CD_N_CA": 112.602306989758, - "CG_CD": 1.4896286827549, - "CB_CG_CD": 106.022526909346, - "CA_CB_CG": 105.000532117776 - } -}, -{ - "pk": 141, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 125.983474370812, - "CD_N": 1.47595596149444, - "CG_CD_N": 105.169868992527, - "CB_CG": 1.46883829247428, - "CD_N_CA": 112.229185670963, - "CG_CD": 1.48217455618729, - "CB_CG_CD": 110.060160925388, - "CA_CB_CG": 107.878201946001 - } -}, -{ - "pk": 142, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.232729887916, - "CD_N": 1.47673652990265, - "CG_CD_N": 101.841836578796, - "CB_CG": 1.52228212357546, - "CD_N_CA": 112.215421150432, - "CG_CD": 1.52091405053609, - "CB_CG_CD": 103.627465476148, - "CA_CB_CG": 102.322618065685 - } -}, -{ - "pk": 143, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.955993079324, - "CD_N": 1.47035007326577, - "CG_CD_N": 102.765907855444, - "CB_CG": 1.46115868009464, - "CD_N_CA": 112.423611716038, - "CG_CD": 1.50421967017844, - "CB_CG_CD": 107.8072397432, - "CA_CB_CG": 104.486022009649 - } -}, -{ - "pk": 144, + "pk": 90, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.916466274314, @@ -46295,35 +37961,7 @@ } }, { - "pk": 145, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 127.317353955859, - "CD_N": 1.47669345119371, - "CG_CD_N": 100.74671559199, - "CB_CG": 1.50283503612043, - "CD_N_CA": 111.782093044078, - "CG_CD": 1.51571213249282, - "CB_CG_CD": 103.664717428339, - "CA_CB_CG": 104.076628007696 - } -}, -{ - "pk": 146, - "model": "pgd_core.sidechain_pro", - "fields": { - "CD_N_C_1": 124.163517905185, - "CD_N": 1.47751738754001, - "CG_CD_N": 103.644195492337, - "CB_CG": 1.47338398762473, - "CD_N_CA": 111.364895329986, - "CG_CD": 1.53759898868509, - "CB_CG_CD": 105.77454554694, - "CA_CB_CG": 104.399641884934 - } -}, -{ - "pk": 147, + "pk": 91, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.462196693603, @@ -46337,7 +37975,7 @@ } }, { - "pk": 148, + "pk": 92, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 132.345113771863, @@ -46351,7 +37989,7 @@ } }, { - "pk": 149, + "pk": 93, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.311998153739, @@ -46365,7 +38003,7 @@ } }, { - "pk": 150, + "pk": 94, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.723548356043, @@ -46379,7 +38017,7 @@ } }, { - "pk": 151, + "pk": 95, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.55655664847, @@ -46393,7 +38031,7 @@ } }, { - "pk": 152, + "pk": 96, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.36053386026, @@ -46407,7 +38045,7 @@ } }, { - "pk": 153, + "pk": 97, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.828960976062, @@ -46421,7 +38059,7 @@ } }, { - "pk": 154, + "pk": 98, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.105418181677, @@ -46435,7 +38073,7 @@ } }, { - "pk": 155, + "pk": 99, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 122.080184738077, @@ -46449,7 +38087,7 @@ } }, { - "pk": 156, + "pk": 100, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.014973733384, @@ -46463,7 +38101,7 @@ } }, { - "pk": 157, + "pk": 101, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.737732417468, @@ -46477,7 +38115,7 @@ } }, { - "pk": 158, + "pk": 102, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.848331840349, @@ -46491,7 +38129,7 @@ } }, { - "pk": 159, + "pk": 103, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.918357181563, @@ -46505,7 +38143,7 @@ } }, { - "pk": 160, + "pk": 104, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.231951265763, @@ -46519,7 +38157,7 @@ } }, { - "pk": 161, + "pk": 105, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.739160195318, @@ -46533,7 +38171,7 @@ } }, { - "pk": 162, + "pk": 106, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.425457356645, @@ -46547,7 +38185,7 @@ } }, { - "pk": 163, + "pk": 107, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.088806631069, @@ -46561,7 +38199,7 @@ } }, { - "pk": 164, + "pk": 108, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.487482762863, @@ -46575,7 +38213,7 @@ } }, { - "pk": 165, + "pk": 109, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.559907903358, @@ -46589,7 +38227,7 @@ } }, { - "pk": 166, + "pk": 110, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.4469918072, @@ -46603,7 +38241,7 @@ } }, { - "pk": 167, + "pk": 111, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.280083114227, @@ -46617,7 +38255,7 @@ } }, { - "pk": 168, + "pk": 112, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.925368613127, @@ -46631,7 +38269,7 @@ } }, { - "pk": 169, + "pk": 113, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.959553851628, @@ -46645,7 +38283,7 @@ } }, { - "pk": 170, + "pk": 114, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.862018874123, @@ -46659,7 +38297,7 @@ } }, { - "pk": 171, + "pk": 115, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.515391018254, @@ -46673,7 +38311,7 @@ } }, { - "pk": 172, + "pk": 116, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.259712612963, @@ -46687,7 +38325,7 @@ } }, { - "pk": 173, + "pk": 117, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.636983789393, @@ -46701,7 +38339,7 @@ } }, { - "pk": 174, + "pk": 118, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.446193117132, @@ -46715,7 +38353,7 @@ } }, { - "pk": 175, + "pk": 119, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.828472538535, @@ -46729,7 +38367,7 @@ } }, { - "pk": 176, + "pk": 120, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.204037353497, @@ -46743,7 +38381,7 @@ } }, { - "pk": 177, + "pk": 121, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.550516065052, @@ -46757,7 +38395,7 @@ } }, { - "pk": 178, + "pk": 122, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.834221500088, @@ -46771,7 +38409,7 @@ } }, { - "pk": 179, + "pk": 123, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.164536370431, @@ -46785,7 +38423,7 @@ } }, { - "pk": 180, + "pk": 124, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.56132989077, @@ -46799,7 +38437,7 @@ } }, { - "pk": 181, + "pk": 125, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.818988363329, @@ -46813,7 +38451,7 @@ } }, { - "pk": 182, + "pk": 126, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.748830629977, @@ -46827,7 +38465,7 @@ } }, { - "pk": 183, + "pk": 127, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.731506323477, @@ -46841,7 +38479,7 @@ } }, { - "pk": 184, + "pk": 128, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.7649579804, @@ -46855,7 +38493,7 @@ } }, { - "pk": 185, + "pk": 129, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.717494894375, @@ -46869,7 +38507,7 @@ } }, { - "pk": 186, + "pk": 130, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.992986034131, @@ -46883,7 +38521,7 @@ } }, { - "pk": 187, + "pk": 131, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.22000006531, @@ -46897,7 +38535,7 @@ } }, { - "pk": 188, + "pk": 132, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.338740941194, @@ -46911,7 +38549,7 @@ } }, { - "pk": 189, + "pk": 133, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.791921162966, @@ -46925,7 +38563,7 @@ } }, { - "pk": 190, + "pk": 134, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.475077374069, @@ -46939,7 +38577,7 @@ } }, { - "pk": 191, + "pk": 135, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 131.722298372091, @@ -46953,7 +38591,7 @@ } }, { - "pk": 192, + "pk": 136, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.606870931177, @@ -46967,7 +38605,7 @@ } }, { - "pk": 193, + "pk": 137, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.273103337491, @@ -46981,7 +38619,7 @@ } }, { - "pk": 194, + "pk": 138, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.371899361249, @@ -46995,7 +38633,7 @@ } }, { - "pk": 195, + "pk": 139, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.819153072312, @@ -47009,7 +38647,7 @@ } }, { - "pk": 196, + "pk": 140, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.439101027792, @@ -47023,7 +38661,7 @@ } }, { - "pk": 197, + "pk": 141, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.377123068908, @@ -47037,7 +38675,7 @@ } }, { - "pk": 198, + "pk": 142, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.219076566398, @@ -47051,7 +38689,7 @@ } }, { - "pk": 199, + "pk": 143, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 123.260045366688, @@ -47065,7 +38703,7 @@ } }, { - "pk": 200, + "pk": 144, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.429154976586, @@ -47079,7 +38717,7 @@ } }, { - "pk": 201, + "pk": 145, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.887961337938, @@ -47093,7 +38731,7 @@ } }, { - "pk": 202, + "pk": 146, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.771871227829, @@ -47107,7 +38745,7 @@ } }, { - "pk": 203, + "pk": 147, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.367456238655, @@ -47121,7 +38759,7 @@ } }, { - "pk": 204, + "pk": 148, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.266974132271, @@ -47135,7 +38773,7 @@ } }, { - "pk": 205, + "pk": 149, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.884800225358, @@ -47149,7 +38787,7 @@ } }, { - "pk": 206, + "pk": 150, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.063483932536, @@ -47163,7 +38801,7 @@ } }, { - "pk": 207, + "pk": 151, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.537748579615, @@ -47177,7 +38815,7 @@ } }, { - "pk": 208, + "pk": 152, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.587368785294, @@ -47191,7 +38829,7 @@ } }, { - "pk": 209, + "pk": 153, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.914631299567, @@ -47205,7 +38843,7 @@ } }, { - "pk": 210, + "pk": 154, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.92024067273, @@ -47219,7 +38857,7 @@ } }, { - "pk": 211, + "pk": 155, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.369688382991, @@ -47233,7 +38871,7 @@ } }, { - "pk": 212, + "pk": 156, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.890514351424, @@ -47247,7 +38885,7 @@ } }, { - "pk": 213, + "pk": 157, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.035857503733, @@ -47261,7 +38899,7 @@ } }, { - "pk": 214, + "pk": 158, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.404581960389, @@ -47275,7 +38913,7 @@ } }, { - "pk": 215, + "pk": 159, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.224737698758, @@ -47289,7 +38927,7 @@ } }, { - "pk": 216, + "pk": 160, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.526785481989, @@ -47303,7 +38941,7 @@ } }, { - "pk": 217, + "pk": 161, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.48756768881, @@ -47317,7 +38955,7 @@ } }, { - "pk": 218, + "pk": 162, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.614092669877, @@ -47331,7 +38969,7 @@ } }, { - "pk": 219, + "pk": 163, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.333643469371, @@ -47345,7 +38983,7 @@ } }, { - "pk": 220, + "pk": 164, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.664221082572, @@ -47359,7 +38997,7 @@ } }, { - "pk": 221, + "pk": 165, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.790602193352, @@ -47373,7 +39011,7 @@ } }, { - "pk": 222, + "pk": 166, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.349903078148, @@ -47387,7 +39025,7 @@ } }, { - "pk": 223, + "pk": 167, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 130.47993894448, @@ -47401,7 +39039,7 @@ } }, { - "pk": 224, + "pk": 168, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.954216959241, @@ -47415,7 +39053,7 @@ } }, { - "pk": 225, + "pk": 169, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.595940507656, @@ -47429,7 +39067,7 @@ } }, { - "pk": 226, + "pk": 170, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.129196176577, @@ -47443,7 +39081,7 @@ } }, { - "pk": 227, + "pk": 171, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.107125052575, @@ -47457,7 +39095,7 @@ } }, { - "pk": 228, + "pk": 172, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.111400617416, @@ -47471,7 +39109,7 @@ } }, { - "pk": 229, + "pk": 173, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.256544553654, @@ -47485,7 +39123,7 @@ } }, { - "pk": 230, + "pk": 174, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.145070855603, @@ -47499,7 +39137,7 @@ } }, { - "pk": 231, + "pk": 175, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.465491461483, @@ -47513,7 +39151,7 @@ } }, { - "pk": 232, + "pk": 176, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.851299468741, @@ -47527,7 +39165,7 @@ } }, { - "pk": 233, + "pk": 177, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 123.80321136034, @@ -47541,7 +39179,7 @@ } }, { - "pk": 234, + "pk": 178, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 129.678440485502, @@ -47555,7 +39193,7 @@ } }, { - "pk": 235, + "pk": 179, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 126.168872237665, @@ -47569,7 +39207,7 @@ } }, { - "pk": 236, + "pk": 180, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.648580288085, @@ -47583,7 +39221,7 @@ } }, { - "pk": 237, + "pk": 181, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.750973678526, @@ -47597,7 +39235,7 @@ } }, { - "pk": 238, + "pk": 182, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.322577814177, @@ -47611,7 +39249,7 @@ } }, { - "pk": 239, + "pk": 183, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.428241094878, @@ -47625,7 +39263,7 @@ } }, { - "pk": 240, + "pk": 184, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.47833306609, @@ -47639,7 +39277,7 @@ } }, { - "pk": 241, + "pk": 185, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 127.683579287062, @@ -47653,7 +39291,7 @@ } }, { - "pk": 242, + "pk": 186, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 125.173491764673, @@ -47667,7 +39305,7 @@ } }, { - "pk": 243, + "pk": 187, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 124.377536424131, @@ -47681,7 +39319,7 @@ } }, { - "pk": 244, + "pk": 188, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.946742039011, @@ -47695,7 +39333,7 @@ } }, { - "pk": 245, + "pk": 189, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.971946511442, @@ -47709,7 +39347,7 @@ } }, { - "pk": 246, + "pk": 190, "model": "pgd_core.sidechain_pro", "fields": { "CD_N_C_1": 128.240288171086, @@ -47726,32 +39364,32 @@ "pk": 1, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 111.8954526738, - "CB_OG": 1.40510618928559 + "CA_CB_OG": 111.323211978817, + "CB_OG": 1.42432440284254 } }, { "pk": 2, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 115.446030664036, - "CB_OG": 1.41248014114638 + "CA_CB_OG": 113.640573254425, + "CB_OG": 1.41888490007532 } }, { "pk": 3, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 111.323211978817, - "CB_OG": 1.42432440284254 + "CA_CB_OG": 106.397388631336, + "CB_OG": 1.41236843008243 } }, { "pk": 4, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 113.640573254425, - "CB_OG": 1.41888490007532 + "CA_CB_OG": 111.8954526738, + "CB_OG": 1.40510618928559 } }, { @@ -47766,24 +39404,24 @@ "pk": 6, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 110.526133344578, - "CB_OG": 1.41054305694267 + "CA_CB_OG": 115.446030664036, + "CB_OG": 1.41248014114638 } }, { "pk": 7, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 106.397388631336, - "CB_OG": 1.41236843008243 + "CA_CB_OG": 108.468464502774, + "CB_OG": 1.41692889643806 } }, { "pk": 8, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 108.468464502774, - "CB_OG": 1.41692889643806 + "CA_CB_OG": 110.526133344578, + "CB_OG": 1.41054305694267 } }, { @@ -47870,132 +39508,84 @@ "pk": 19, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 111.375725279983, - "CB_OG": 1.4076377075644 + "CA_CB_OG": 111.445433047594, + "CB_OG": 1.4245565505746 } }, { "pk": 20, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 110.353241505138, - "CB_OG": 1.41928414499977 + "CA_CB_OG": 109.739016475762, + "CB_OG": 1.42053755995084 } }, { "pk": 21, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 110.951537081377, - "CB_OG": 1.40101686706867 + "CA_CB_OG": 111.317865089532, + "CB_OG": 1.42951504777751 } }, { "pk": 22, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 109.460374406642, - "CB_OG": 1.43456550208975 + "CA_CB_OG": 112.240620419953, + "CB_OG": 1.40786902194284 } }, { "pk": 23, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 111.314301240458, - "CB_OG": 1.40774607839912 + "CA_CB_OG": 111.38726729622, + "CB_OG": 1.41391322157522 } }, { "pk": 24, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 110.026408952872, - "CB_OG": 1.40954409445024 + "CA_CB_OG": 108.977436918943, + "CB_OG": 1.43766678175655 } }, { "pk": 25, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 110.35976101321, - "CB_OG": 1.42145654236404 + "CA_CB_OG": 111.462845486966, + "CB_OG": 1.41780779619292 } }, { "pk": 26, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 111.377334016468, - "CB_OG": 1.42875826727492 + "CA_CB_OG": 109.435156863616, + "CB_OG": 1.41413585604818 } }, { "pk": 27, "model": "pgd_core.sidechain_ser", "fields": { - "CA_CB_OG": 111.801718173897, - "CB_OG": 1.42118032391649 + "CA_CB_OG": 111.880679884359, + "CB_OG": 1.4127030068142 } }, { "pk": 28, "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.253397924204, - "CB_OG": 1.42039241158932 - } -}, -{ - "pk": 29, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.260635693709, - "CB_OG": 1.40042394379522 - } -}, -{ - "pk": 30, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.568124827235, - "CB_OG": 1.41869159852908 - } -}, -{ - "pk": 31, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 113.04922079867, - "CB_OG": 1.42101362121426 - } -}, -{ - "pk": 32, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.599445424858, - "CB_OG": 1.42521944139108 - } -}, -{ - "pk": 33, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.852476845829, - "CB_OG": 1.44229405755789 - } -}, -{ - "pk": 34, - "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.380434184866, "CB_OG": 1.41628383257596 } }, { - "pk": 35, + "pk": 29, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.86451758837, @@ -48003,23 +39593,7 @@ } }, { - "pk": 36, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.398723925051, - "CB_OG": 1.41483901091412 - } -}, -{ - "pk": 37, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.190577279198, - "CB_OG": 1.42386949296372 - } -}, -{ - "pk": 38, + "pk": 30, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.147175235635, @@ -48027,7 +39601,7 @@ } }, { - "pk": 39, + "pk": 31, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.410177232566, @@ -48035,15 +39609,7 @@ } }, { - "pk": 40, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.320735674356, - "CB_OG": 1.41197121383062 - } -}, -{ - "pk": 41, + "pk": 32, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.399798997043, @@ -48051,23 +39617,7 @@ } }, { - "pk": 42, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.835419570432, - "CB_OG": 1.40192297283652 - } -}, -{ - "pk": 43, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.361697806945, - "CB_OG": 1.42371162278973 - } -}, -{ - "pk": 44, + "pk": 33, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.750293404729, @@ -48075,7 +39625,7 @@ } }, { - "pk": 45, + "pk": 34, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.446041085278, @@ -48083,15 +39633,7 @@ } }, { - "pk": 46, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.138195381316, - "CB_OG": 1.40505311489842 - } -}, -{ - "pk": 47, + "pk": 35, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.87994978727, @@ -48099,7 +39641,7 @@ } }, { - "pk": 48, + "pk": 36, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.913080747513, @@ -48107,15 +39649,7 @@ } }, { - "pk": 49, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.023662030076, - "CB_OG": 1.43075640775174 - } -}, -{ - "pk": 50, + "pk": 37, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.266013414134, @@ -48123,15 +39657,7 @@ } }, { - "pk": 51, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.090612046197, - "CB_OG": 1.41394849195194 - } -}, -{ - "pk": 52, + "pk": 38, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.014037686765, @@ -48139,7 +39665,7 @@ } }, { - "pk": 53, + "pk": 39, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.04590439566, @@ -48147,15 +39673,7 @@ } }, { - "pk": 54, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.397937019742, - "CB_OG": 1.42772814379881 - } -}, -{ - "pk": 55, + "pk": 40, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.777308999015, @@ -48163,39 +39681,7 @@ } }, { - "pk": 56, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.608331942428, - "CB_OG": 1.42004530927671 - } -}, -{ - "pk": 57, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.835690819703, - "CB_OG": 1.42047548173055 - } -}, -{ - "pk": 58, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.339901171187, - "CB_OG": 1.43132036176849 - } -}, -{ - "pk": 59, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.516766302531, - "CB_OG": 1.42158676272348 - } -}, -{ - "pk": 60, + "pk": 41, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.77119669983, @@ -48203,7 +39689,7 @@ } }, { - "pk": 61, + "pk": 42, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.738310974067, @@ -48211,15 +39697,7 @@ } }, { - "pk": 62, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.433384308223, - "CB_OG": 1.4091667087615 - } -}, -{ - "pk": 63, + "pk": 43, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.928169291842, @@ -48227,7 +39705,7 @@ } }, { - "pk": 64, + "pk": 44, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.244834821619, @@ -48235,15 +39713,7 @@ } }, { - "pk": 65, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.27840550787, - "CB_OG": 1.43015563786223 - } -}, -{ - "pk": 66, + "pk": 45, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.534336428835, @@ -48251,23 +39721,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.619054361006, - "CB_OG": 1.41232016706748 - } -}, -{ - "pk": 68, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.570074417431, - "CB_OG": 1.40783100786221 - } -}, -{ - "pk": 69, + "pk": 46, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.247344908588, @@ -48275,7 +39729,7 @@ } }, { - "pk": 70, + "pk": 47, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.856895375152, @@ -48283,15 +39737,7 @@ } }, { - "pk": 71, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.097025964823, - "CB_OG": 1.413482438089 - } -}, -{ - "pk": 72, + "pk": 48, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.410668966027, @@ -48299,7 +39745,7 @@ } }, { - "pk": 73, + "pk": 49, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 114.81466909576, @@ -48307,31 +39753,7 @@ } }, { - "pk": 74, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 113.626650550758, - "CB_OG": 1.43770230407509 - } -}, -{ - "pk": 75, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.576777849146, - "CB_OG": 1.41601370590705 - } -}, -{ - "pk": 76, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 108.581400969164, - "CB_OG": 1.4140964118635 - } -}, -{ - "pk": 77, + "pk": 50, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.516171282715, @@ -48339,7 +39761,7 @@ } }, { - "pk": 78, + "pk": 51, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.192351936773, @@ -48347,7 +39769,7 @@ } }, { - "pk": 79, + "pk": 52, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.719637731225, @@ -48355,7 +39777,7 @@ } }, { - "pk": 80, + "pk": 53, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.212988142433, @@ -48363,7 +39785,7 @@ } }, { - "pk": 81, + "pk": 54, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.932272706562, @@ -48371,7 +39793,7 @@ } }, { - "pk": 82, + "pk": 55, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.543659919314, @@ -48379,7 +39801,7 @@ } }, { - "pk": 83, + "pk": 56, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.196256551083, @@ -48387,15 +39809,7 @@ } }, { - "pk": 84, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 108.120538780433, - "CB_OG": 1.41182315820391 - } -}, -{ - "pk": 85, + "pk": 57, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.608360746176, @@ -48403,23 +39817,7 @@ } }, { - "pk": 86, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 108.309020125669, - "CB_OG": 1.41700794291155 - } -}, -{ - "pk": 87, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.13325712829, - "CB_OG": 1.42912530015781 - } -}, -{ - "pk": 88, + "pk": 58, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.93508187541, @@ -48427,7 +39825,7 @@ } }, { - "pk": 89, + "pk": 59, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.528141306287, @@ -48435,7 +39833,7 @@ } }, { - "pk": 90, + "pk": 60, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.185402259935, @@ -48443,7 +39841,7 @@ } }, { - "pk": 91, + "pk": 61, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 108.018457415971, @@ -48451,15 +39849,7 @@ } }, { - "pk": 92, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.512838153549, - "CB_OG": 1.43283353974927 - } -}, -{ - "pk": 93, + "pk": 62, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.867407943417, @@ -48467,7 +39857,7 @@ } }, { - "pk": 94, + "pk": 63, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.359349277821, @@ -48475,7 +39865,7 @@ } }, { - "pk": 95, + "pk": 64, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.935570613754, @@ -48483,15 +39873,7 @@ } }, { - "pk": 96, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.902988062426, - "CB_OG": 1.42250713536783 - } -}, -{ - "pk": 97, + "pk": 65, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.378975895513, @@ -48499,7 +39881,7 @@ } }, { - "pk": 98, + "pk": 66, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.574286886766, @@ -48507,15 +39889,7 @@ } }, { - "pk": 99, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.581747666778, - "CB_OG": 1.40559305701312 - } -}, -{ - "pk": 100, + "pk": 67, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 114.244274649923, @@ -48523,23 +39897,7 @@ } }, { - "pk": 101, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.955780149347, - "CB_OG": 1.43016348904166 - } -}, -{ - "pk": 102, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.017848501026, - "CB_OG": 1.41719786880615 - } -}, -{ - "pk": 103, + "pk": 68, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.805581682586, @@ -48547,15 +39905,7 @@ } }, { - "pk": 104, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.990167240281, - "CB_OG": 1.43010157695941 - } -}, -{ - "pk": 105, + "pk": 69, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.217422340127, @@ -48563,15 +39913,7 @@ } }, { - "pk": 106, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 110.686355927425, - "CB_OG": 1.41433734979589 - } -}, -{ - "pk": 107, + "pk": 70, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.347300380912, @@ -48579,7 +39921,7 @@ } }, { - "pk": 108, + "pk": 71, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.323572506209, @@ -48587,7 +39929,7 @@ } }, { - "pk": 109, + "pk": 72, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.686344090305, @@ -48595,15 +39937,7 @@ } }, { - "pk": 110, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.445433047594, - "CB_OG": 1.4245565505746 - } -}, -{ - "pk": 111, + "pk": 73, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.217800342157, @@ -48611,7 +39945,7 @@ } }, { - "pk": 112, + "pk": 74, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.414432846647, @@ -48619,7 +39953,7 @@ } }, { - "pk": 113, + "pk": 75, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.87453056427, @@ -48627,7 +39961,7 @@ } }, { - "pk": 114, + "pk": 76, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.896224510014, @@ -48635,15 +39969,7 @@ } }, { - "pk": 115, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.739016475762, - "CB_OG": 1.42053755995084 - } -}, -{ - "pk": 116, + "pk": 77, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.747797794188, @@ -48651,23 +39977,7 @@ } }, { - "pk": 117, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.317865089532, - "CB_OG": 1.42951504777751 - } -}, -{ - "pk": 118, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 112.240620419953, - "CB_OG": 1.40786902194284 - } -}, -{ - "pk": 119, + "pk": 78, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 108.556727799843, @@ -48675,15 +39985,7 @@ } }, { - "pk": 120, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.38726729622, - "CB_OG": 1.41391322157522 - } -}, -{ - "pk": 121, + "pk": 79, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.809704733821, @@ -48691,23 +39993,7 @@ } }, { - "pk": 122, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 108.977436918943, - "CB_OG": 1.43766678175655 - } -}, -{ - "pk": 123, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.462845486966, - "CB_OG": 1.41780779619292 - } -}, -{ - "pk": 124, + "pk": 80, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.217046505464, @@ -48715,15 +40001,7 @@ } }, { - "pk": 125, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 109.435156863616, - "CB_OG": 1.41413585604818 - } -}, -{ - "pk": 126, + "pk": 81, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.96929663026, @@ -48731,7 +40009,7 @@ } }, { - "pk": 127, + "pk": 82, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.52851837935, @@ -48739,15 +40017,7 @@ } }, { - "pk": 128, - "model": "pgd_core.sidechain_ser", - "fields": { - "CA_CB_OG": 111.880679884359, - "CB_OG": 1.4127030068142 - } -}, -{ - "pk": 129, + "pk": 83, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.381792395441, @@ -48755,7 +40025,7 @@ } }, { - "pk": 130, + "pk": 84, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 113.648773862251, @@ -48763,7 +40033,7 @@ } }, { - "pk": 131, + "pk": 85, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.748357440286, @@ -48771,7 +40041,7 @@ } }, { - "pk": 132, + "pk": 86, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.52766249328, @@ -48779,7 +40049,7 @@ } }, { - "pk": 133, + "pk": 87, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 114.854503526316, @@ -48787,7 +40057,7 @@ } }, { - "pk": 134, + "pk": 88, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.327287774803, @@ -48795,7 +40065,7 @@ } }, { - "pk": 135, + "pk": 89, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.414538773051, @@ -48803,7 +40073,7 @@ } }, { - "pk": 136, + "pk": 90, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.594570873758, @@ -48811,7 +40081,7 @@ } }, { - "pk": 137, + "pk": 91, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.228972647102, @@ -48819,7 +40089,7 @@ } }, { - "pk": 138, + "pk": 92, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.404810863452, @@ -48827,7 +40097,7 @@ } }, { - "pk": 139, + "pk": 93, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.744744253562, @@ -48835,7 +40105,7 @@ } }, { - "pk": 140, + "pk": 94, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.386240588844, @@ -48843,7 +40113,7 @@ } }, { - "pk": 141, + "pk": 95, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.280269130421, @@ -48851,7 +40121,7 @@ } }, { - "pk": 142, + "pk": 96, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.955687267402, @@ -48859,7 +40129,7 @@ } }, { - "pk": 143, + "pk": 97, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.916605709089, @@ -48867,7 +40137,7 @@ } }, { - "pk": 144, + "pk": 98, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.883038414945, @@ -48875,7 +40145,7 @@ } }, { - "pk": 145, + "pk": 99, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.862067482178, @@ -48883,7 +40153,7 @@ } }, { - "pk": 146, + "pk": 100, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.957655716956, @@ -48891,7 +40161,7 @@ } }, { - "pk": 147, + "pk": 101, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.857484009998, @@ -48899,7 +40169,7 @@ } }, { - "pk": 148, + "pk": 102, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.967945300223, @@ -48907,7 +40177,7 @@ } }, { - "pk": 149, + "pk": 103, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.240281509759, @@ -48915,7 +40185,7 @@ } }, { - "pk": 150, + "pk": 104, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.699488891395, @@ -48923,7 +40193,7 @@ } }, { - "pk": 151, + "pk": 105, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.864139686115, @@ -48931,7 +40201,7 @@ } }, { - "pk": 152, + "pk": 106, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.432592790279, @@ -48939,7 +40209,7 @@ } }, { - "pk": 153, + "pk": 107, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.344290243582, @@ -48947,7 +40217,7 @@ } }, { - "pk": 154, + "pk": 108, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.20509916275, @@ -48955,7 +40225,7 @@ } }, { - "pk": 155, + "pk": 109, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.682256596553, @@ -48963,7 +40233,7 @@ } }, { - "pk": 156, + "pk": 110, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.964816673352, @@ -48971,7 +40241,7 @@ } }, { - "pk": 157, + "pk": 111, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.350831081168, @@ -48979,7 +40249,7 @@ } }, { - "pk": 158, + "pk": 112, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.390490773347, @@ -48987,7 +40257,7 @@ } }, { - "pk": 159, + "pk": 113, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.566462966551, @@ -48995,7 +40265,7 @@ } }, { - "pk": 160, + "pk": 114, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.252791171392, @@ -49003,7 +40273,7 @@ } }, { - "pk": 161, + "pk": 115, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.511896266251, @@ -49011,7 +40281,7 @@ } }, { - "pk": 162, + "pk": 116, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.103549230261, @@ -49019,7 +40289,7 @@ } }, { - "pk": 163, + "pk": 117, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.958374508809, @@ -49027,7 +40297,7 @@ } }, { - "pk": 164, + "pk": 118, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.797066562316, @@ -49035,7 +40305,7 @@ } }, { - "pk": 165, + "pk": 119, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.092379006683, @@ -49043,7 +40313,7 @@ } }, { - "pk": 166, + "pk": 120, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.845117193035, @@ -49051,7 +40321,7 @@ } }, { - "pk": 167, + "pk": 121, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.796635149892, @@ -49059,7 +40329,7 @@ } }, { - "pk": 168, + "pk": 122, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.01887087774, @@ -49067,7 +40337,7 @@ } }, { - "pk": 169, + "pk": 123, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.484815120205, @@ -49075,7 +40345,7 @@ } }, { - "pk": 170, + "pk": 124, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.49390035558, @@ -49083,7 +40353,7 @@ } }, { - "pk": 171, + "pk": 125, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.345025457885, @@ -49091,7 +40361,7 @@ } }, { - "pk": 172, + "pk": 126, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.872933563362, @@ -49099,7 +40369,7 @@ } }, { - "pk": 173, + "pk": 127, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 113.404387731404, @@ -49107,7 +40377,7 @@ } }, { - "pk": 174, + "pk": 128, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.893106224425, @@ -49115,7 +40385,7 @@ } }, { - "pk": 175, + "pk": 129, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.422464693811, @@ -49123,7 +40393,7 @@ } }, { - "pk": 176, + "pk": 130, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.354440305429, @@ -49131,7 +40401,7 @@ } }, { - "pk": 177, + "pk": 131, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.064540663928, @@ -49139,7 +40409,7 @@ } }, { - "pk": 178, + "pk": 132, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.738991295555, @@ -49147,7 +40417,7 @@ } }, { - "pk": 179, + "pk": 133, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.664764276565, @@ -49155,7 +40425,7 @@ } }, { - "pk": 180, + "pk": 134, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 113.603835304942, @@ -49163,7 +40433,7 @@ } }, { - "pk": 181, + "pk": 135, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.763537995614, @@ -49171,7 +40441,7 @@ } }, { - "pk": 182, + "pk": 136, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.728538056441, @@ -49179,7 +40449,7 @@ } }, { - "pk": 183, + "pk": 137, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.287492572561, @@ -49187,7 +40457,7 @@ } }, { - "pk": 184, + "pk": 138, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.505627970873, @@ -49195,7 +40465,7 @@ } }, { - "pk": 185, + "pk": 139, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.921379749209, @@ -49203,7 +40473,7 @@ } }, { - "pk": 186, + "pk": 140, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.605456179648, @@ -49211,7 +40481,7 @@ } }, { - "pk": 187, + "pk": 141, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.890891818578, @@ -49219,7 +40489,7 @@ } }, { - "pk": 188, + "pk": 142, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.241838759421, @@ -49227,7 +40497,7 @@ } }, { - "pk": 189, + "pk": 143, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.534971901731, @@ -49235,7 +40505,7 @@ } }, { - "pk": 190, + "pk": 144, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.649867584136, @@ -49243,7 +40513,7 @@ } }, { - "pk": 191, + "pk": 145, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.875669640503, @@ -49251,7 +40521,7 @@ } }, { - "pk": 192, + "pk": 146, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.729092577588, @@ -49259,7 +40529,7 @@ } }, { - "pk": 193, + "pk": 147, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.138211288608, @@ -49267,7 +40537,7 @@ } }, { - "pk": 194, + "pk": 148, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.179204900659, @@ -49275,7 +40545,7 @@ } }, { - "pk": 195, + "pk": 149, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.703890747642, @@ -49283,7 +40553,7 @@ } }, { - "pk": 196, + "pk": 150, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.240098605457, @@ -49291,7 +40561,7 @@ } }, { - "pk": 197, + "pk": 151, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.929361083727, @@ -49299,7 +40569,7 @@ } }, { - "pk": 198, + "pk": 152, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 113.804471924985, @@ -49307,7 +40577,7 @@ } }, { - "pk": 199, + "pk": 153, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.218869956353, @@ -49315,7 +40585,7 @@ } }, { - "pk": 200, + "pk": 154, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.744739267602, @@ -49323,7 +40593,7 @@ } }, { - "pk": 201, + "pk": 155, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.626231633369, @@ -49331,7 +40601,7 @@ } }, { - "pk": 202, + "pk": 156, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.395437525189, @@ -49339,7 +40609,7 @@ } }, { - "pk": 203, + "pk": 157, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.082750319891, @@ -49347,7 +40617,7 @@ } }, { - "pk": 204, + "pk": 158, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.31566892191, @@ -49355,7 +40625,7 @@ } }, { - "pk": 205, + "pk": 159, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.152843484687, @@ -49363,7 +40633,7 @@ } }, { - "pk": 206, + "pk": 160, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.221588483732, @@ -49371,7 +40641,7 @@ } }, { - "pk": 207, + "pk": 161, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 113.00584515005, @@ -49379,7 +40649,7 @@ } }, { - "pk": 208, + "pk": 162, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.358502746734, @@ -49387,7 +40657,7 @@ } }, { - "pk": 209, + "pk": 163, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.623947836368, @@ -49395,7 +40665,7 @@ } }, { - "pk": 210, + "pk": 164, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.659828963843, @@ -49403,7 +40673,7 @@ } }, { - "pk": 211, + "pk": 165, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.05171795492, @@ -49411,7 +40681,7 @@ } }, { - "pk": 212, + "pk": 166, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.604164838911, @@ -49419,7 +40689,7 @@ } }, { - "pk": 213, + "pk": 167, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.894057748343, @@ -49427,7 +40697,7 @@ } }, { - "pk": 214, + "pk": 168, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.547795856262, @@ -49435,7 +40705,7 @@ } }, { - "pk": 215, + "pk": 169, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.873183673837, @@ -49443,7 +40713,7 @@ } }, { - "pk": 216, + "pk": 170, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.871046737404, @@ -49451,7 +40721,7 @@ } }, { - "pk": 217, + "pk": 171, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.685545827941, @@ -49459,7 +40729,7 @@ } }, { - "pk": 218, + "pk": 172, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.163633129922, @@ -49467,7 +40737,7 @@ } }, { - "pk": 219, + "pk": 173, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.113016952517, @@ -49475,7 +40745,7 @@ } }, { - "pk": 220, + "pk": 174, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.121520994208, @@ -49483,7 +40753,7 @@ } }, { - "pk": 221, + "pk": 175, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.914200391771, @@ -49491,7 +40761,7 @@ } }, { - "pk": 222, + "pk": 176, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.478567387705, @@ -49499,7 +40769,7 @@ } }, { - "pk": 223, + "pk": 177, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.508924410069, @@ -49507,7 +40777,7 @@ } }, { - "pk": 224, + "pk": 178, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.775708958849, @@ -49515,7 +40785,7 @@ } }, { - "pk": 225, + "pk": 179, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 115.537265673477, @@ -49523,7 +40793,7 @@ } }, { - "pk": 226, + "pk": 180, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 113.41893792204, @@ -49531,7 +40801,7 @@ } }, { - "pk": 227, + "pk": 181, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 108.981504389028, @@ -49539,7 +40809,7 @@ } }, { - "pk": 228, + "pk": 182, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.596053002888, @@ -49547,7 +40817,7 @@ } }, { - "pk": 229, + "pk": 183, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.92657686272, @@ -49555,7 +40825,7 @@ } }, { - "pk": 230, + "pk": 184, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.043237845522, @@ -49563,7 +40833,7 @@ } }, { - "pk": 231, + "pk": 185, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.431007077663, @@ -49571,7 +40841,7 @@ } }, { - "pk": 232, + "pk": 186, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 109.871381144546, @@ -49579,7 +40849,7 @@ } }, { - "pk": 233, + "pk": 187, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.095011792208, @@ -49587,7 +40857,7 @@ } }, { - "pk": 234, + "pk": 188, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.319998708767, @@ -49595,7 +40865,7 @@ } }, { - "pk": 235, + "pk": 189, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.459396633221, @@ -49603,7 +40873,7 @@ } }, { - "pk": 236, + "pk": 190, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.559504198058, @@ -49611,7 +40881,7 @@ } }, { - "pk": 237, + "pk": 191, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.059587981453, @@ -49619,7 +40889,7 @@ } }, { - "pk": 238, + "pk": 192, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.746716777259, @@ -49627,7 +40897,7 @@ } }, { - "pk": 239, + "pk": 193, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.428402991456, @@ -49635,7 +40905,7 @@ } }, { - "pk": 240, + "pk": 194, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.316521986839, @@ -49643,7 +40913,7 @@ } }, { - "pk": 241, + "pk": 195, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.253440328795, @@ -49651,7 +40921,7 @@ } }, { - "pk": 242, + "pk": 196, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.366485539491, @@ -49659,7 +40929,7 @@ } }, { - "pk": 243, + "pk": 197, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.178504446668, @@ -49667,7 +40937,7 @@ } }, { - "pk": 244, + "pk": 198, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.166301783224, @@ -49675,7 +40945,7 @@ } }, { - "pk": 245, + "pk": 199, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.198114217276, @@ -49683,7 +40953,7 @@ } }, { - "pk": 246, + "pk": 200, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.706863081041, @@ -49691,7 +40961,7 @@ } }, { - "pk": 247, + "pk": 201, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.231901340845, @@ -49699,7 +40969,7 @@ } }, { - "pk": 248, + "pk": 202, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 112.271369781622, @@ -49707,7 +40977,7 @@ } }, { - "pk": 249, + "pk": 203, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.652238717524, @@ -49715,7 +40985,7 @@ } }, { - "pk": 250, + "pk": 204, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.882250497121, @@ -49723,7 +40993,7 @@ } }, { - "pk": 251, + "pk": 205, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.630251478381, @@ -49731,7 +41001,7 @@ } }, { - "pk": 252, + "pk": 206, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.152979985489, @@ -49739,7 +41009,7 @@ } }, { - "pk": 253, + "pk": 207, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.953032321729, @@ -49747,7 +41017,7 @@ } }, { - "pk": 254, + "pk": 208, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.247045848502, @@ -49755,7 +41025,7 @@ } }, { - "pk": 255, + "pk": 209, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.660749477936, @@ -49763,7 +41033,7 @@ } }, { - "pk": 256, + "pk": 210, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.261607023952, @@ -49771,7 +41041,7 @@ } }, { - "pk": 257, + "pk": 211, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.94385847257, @@ -49779,7 +41049,7 @@ } }, { - "pk": 258, + "pk": 212, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.993505607877, @@ -49787,7 +41057,7 @@ } }, { - "pk": 259, + "pk": 213, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.053090967412, @@ -49795,7 +41065,7 @@ } }, { - "pk": 260, + "pk": 214, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.010309080441, @@ -49803,7 +41073,7 @@ } }, { - "pk": 261, + "pk": 215, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.150167987982, @@ -49811,7 +41081,7 @@ } }, { - "pk": 262, + "pk": 216, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.621189578899, @@ -49819,7 +41089,7 @@ } }, { - "pk": 263, + "pk": 217, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.627324968979, @@ -49827,7 +41097,7 @@ } }, { - "pk": 264, + "pk": 218, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.749056116315, @@ -49835,7 +41105,7 @@ } }, { - "pk": 265, + "pk": 219, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.167451521058, @@ -49843,7 +41113,7 @@ } }, { - "pk": 266, + "pk": 220, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 111.060094406989, @@ -49851,7 +41121,7 @@ } }, { - "pk": 267, + "pk": 221, "model": "pgd_core.sidechain_ser", "fields": { "CA_CB_OG": 110.992754845065, @@ -49861,6 +41131,17 @@ { "pk": 1, "model": "pgd_core.sidechain_thr", + "fields": { + "CB_CG2": 1.531688594888, + "OG1_CB_CG2": 107.772605240785, + "CA_CB_OG1": 111.150089006677, + "CA_CB_CG2": 110.45985063879, + "CB_OG1": 1.44168367761823 + } +}, +{ + "pk": 2, + "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52964683211511, "OG1_CB_CG2": 109.290340663595, @@ -49870,7 +41151,29 @@ } }, { - "pk": 2, + "pk": 3, + "model": "pgd_core.sidechain_thr", + "fields": { + "CB_CG2": 1.55736159115494, + "OG1_CB_CG2": 109.965527885018, + "CA_CB_OG1": 107.297796122681, + "CA_CB_CG2": 112.880221342158, + "CB_OG1": 1.43490976646778 + } +}, +{ + "pk": 4, + "model": "pgd_core.sidechain_thr", + "fields": { + "CB_CG2": 1.50018617718942, + "OG1_CB_CG2": 107.960038786943, + "CA_CB_OG1": 108.48742430217, + "CA_CB_CG2": 110.177573530419, + "CB_OG1": 1.42548431234833 + } +}, +{ + "pk": 5, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53179852105078, @@ -49881,7 +41184,7 @@ } }, { - "pk": 3, + "pk": 6, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51950609406614, @@ -49892,7 +41195,7 @@ } }, { - "pk": 4, + "pk": 7, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51096844451334, @@ -49903,18 +41206,7 @@ } }, { - "pk": 5, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.531688594888, - "OG1_CB_CG2": 107.772605240785, - "CA_CB_OG1": 111.150089006677, - "CA_CB_CG2": 110.45985063879, - "CB_OG1": 1.44168367761823 - } -}, -{ - "pk": 6, + "pk": 8, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.56470144027106, @@ -49925,7 +41217,7 @@ } }, { - "pk": 7, + "pk": 9, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.4838742822976, @@ -49936,7 +41228,7 @@ } }, { - "pk": 8, + "pk": 10, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51837426533884, @@ -49946,42 +41238,9 @@ "CB_OG1": 1.43700556358795 } }, -{ - "pk": 9, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.50920403021477, - "OG1_CB_CG2": 110.418687226002, - "CA_CB_OG1": 110.015816480299, - "CA_CB_CG2": 109.747953419432, - "CB_OG1": 1.43031954642675 - } -}, -{ - "pk": 10, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.55736159115494, - "OG1_CB_CG2": 109.965527885018, - "CA_CB_OG1": 107.297796122681, - "CA_CB_CG2": 112.880221342158, - "CB_OG1": 1.43490976646778 - } -}, { "pk": 11, "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.50018617718942, - "OG1_CB_CG2": 107.960038786943, - "CA_CB_OG1": 108.48742430217, - "CA_CB_CG2": 110.177573530419, - "CB_OG1": 1.42548431234833 - } -}, -{ - "pk": 12, - "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53746757102626, "OG1_CB_CG2": 108.127962396358, @@ -49991,7 +41250,7 @@ } }, { - "pk": 13, + "pk": 12, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.56529032753283, @@ -50001,6 +41260,17 @@ "CB_OG1": 1.42444498610629 } }, +{ + "pk": 13, + "model": "pgd_core.sidechain_thr", + "fields": { + "CB_CG2": 1.50920403021477, + "OG1_CB_CG2": 110.418687226002, + "CA_CB_OG1": 110.015816480299, + "CA_CB_CG2": 109.747953419432, + "CB_OG1": 1.43031954642675 + } +}, { "pk": 14, "model": "pgd_core.sidechain_thr", @@ -50060,192 +41330,170 @@ "pk": 19, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.5367526755973, - "OG1_CB_CG2": 104.326690026152, - "CA_CB_OG1": 110.249705003778, - "CA_CB_CG2": 110.719629923627, - "CB_OG1": 1.43876129955218 + "CB_CG2": 1.53161183341089, + "OG1_CB_CG2": 105.409589806284, + "CA_CB_OG1": 109.545540291866, + "CA_CB_CG2": 111.579176068926, + "CB_OG1": 1.43472847536369 } }, { "pk": 20, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.52017507499141, - "OG1_CB_CG2": 103.723987556238, - "CA_CB_OG1": 109.376553367226, - "CA_CB_CG2": 112.322563517351, - "CB_OG1": 1.4374229402136 + "CB_CG2": 1.51851977952621, + "OG1_CB_CG2": 105.831321856767, + "CA_CB_OG1": 110.765381141576, + "CA_CB_CG2": 111.446919034413, + "CB_OG1": 1.44775676921374 } }, { "pk": 21, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.53098912466319, - "OG1_CB_CG2": 105.508081982773, - "CA_CB_OG1": 109.743224442111, - "CA_CB_CG2": 109.858265586239, - "CB_OG1": 1.44404014337219 + "CB_CG2": 1.52323891075849, + "OG1_CB_CG2": 105.635208785166, + "CA_CB_OG1": 108.373376646635, + "CA_CB_CG2": 110.85375451933, + "CB_OG1": 1.43187984888491 } }, { "pk": 22, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.5312407529522, - "OG1_CB_CG2": 105.988211138484, - "CA_CB_OG1": 109.115084166676, - "CA_CB_CG2": 112.371900216718, - "CB_OG1": 1.42423564467798 + "CB_CG2": 1.536829569477, + "OG1_CB_CG2": 106.078186705017, + "CA_CB_OG1": 109.342375172213, + "CA_CB_CG2": 110.495937453539, + "CB_OG1": 1.44185340193584 } }, { "pk": 23, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.52258463248889, - "OG1_CB_CG2": 104.928070285173, - "CA_CB_OG1": 109.486044998119, - "CA_CB_CG2": 111.671948483204, - "CB_OG1": 1.43160279190059 + "CB_CG2": 1.53599732193237, + "OG1_CB_CG2": 105.826999743275, + "CA_CB_OG1": 109.64215093431, + "CA_CB_CG2": 111.691909673932, + "CB_OG1": 1.43087293787974 } }, { "pk": 24, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.51444580726761, - "OG1_CB_CG2": 105.910193363168, - "CA_CB_OG1": 108.518176145628, - "CA_CB_CG2": 111.548401711536, - "CB_OG1": 1.43799386436533 + "CB_CG2": 1.51056856068379, + "OG1_CB_CG2": 104.4421687689, + "CA_CB_OG1": 109.837468453225, + "CA_CB_CG2": 109.320968403286, + "CB_OG1": 1.44984358298301 } }, { "pk": 25, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.5457225314886, - "OG1_CB_CG2": 104.875541740268, - "CA_CB_OG1": 109.226880132864, - "CA_CB_CG2": 112.031401868057, - "CB_OG1": 1.42893311212721 + "CB_CG2": 1.5182429012171, + "OG1_CB_CG2": 106.016813608142, + "CA_CB_OG1": 110.215538586118, + "CA_CB_CG2": 110.679354506259, + "CB_OG1": 1.43730234406393 } }, { "pk": 26, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.50963854867103, - "OG1_CB_CG2": 103.236640035522, - "CA_CB_OG1": 109.747177556867, - "CA_CB_CG2": 109.120833985416, - "CB_OG1": 1.44145412679732 + "CB_CG2": 1.52353419873038, + "OG1_CB_CG2": 105.093622119066, + "CA_CB_OG1": 108.488723299375, + "CA_CB_CG2": 111.150303059584, + "CB_OG1": 1.43550227818449 } }, { "pk": 27, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.50880855335577, - "OG1_CB_CG2": 103.684484885628, - "CA_CB_OG1": 109.411103766549, - "CA_CB_CG2": 109.88014216748, - "CB_OG1": 1.43244492117324 + "CB_CG2": 1.51765380783892, + "OG1_CB_CG2": 102.929009481164, + "CA_CB_OG1": 109.473035307223, + "CA_CB_CG2": 111.004039489163, + "CB_OG1": 1.42513985902029 } }, { "pk": 28, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.51372562819883, - "OG1_CB_CG2": 102.999942632921, - "CA_CB_OG1": 110.060070511004, - "CA_CB_CG2": 110.099456201186, - "CB_OG1": 1.43536671501992 + "CB_CG2": 1.49956661137964, + "OG1_CB_CG2": 102.595478184895, + "CA_CB_OG1": 110.287421837076, + "CA_CB_CG2": 111.733145694221, + "CB_OG1": 1.44713737421006 } }, { "pk": 29, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.53289229585202, - "OG1_CB_CG2": 105.829443455179, - "CA_CB_OG1": 110.822297161851, - "CA_CB_CG2": 109.510384999296, - "CB_OG1": 1.44210099380713 + "CB_CG2": 1.50417926690833, + "OG1_CB_CG2": 105.239415428193, + "CA_CB_OG1": 110.114955949096, + "CA_CB_CG2": 110.916852490549, + "CB_OG1": 1.43456190046215 } }, { "pk": 30, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.57396916913124, - "OG1_CB_CG2": 104.286835353931, - "CA_CB_OG1": 108.164576079607, - "CA_CB_CG2": 112.180715362278, - "CB_OG1": 1.42494467327769 + "CB_CG2": 1.50305021252753, + "OG1_CB_CG2": 103.201628004142, + "CA_CB_OG1": 109.199101695179, + "CA_CB_CG2": 110.598349798933, + "CB_OG1": 1.43457242118267 } }, { "pk": 31, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.54489892904043, - "OG1_CB_CG2": 105.845813876636, - "CA_CB_OG1": 108.853966975184, - "CA_CB_CG2": 109.693716474252, - "CB_OG1": 1.4384095351971 + "CB_CG2": 1.52995689520874, + "OG1_CB_CG2": 102.977323333074, + "CA_CB_OG1": 108.826316201192, + "CA_CB_CG2": 111.773763599357, + "CB_OG1": 1.43929061168412 } }, { "pk": 32, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.52412589486509, - "OG1_CB_CG2": 103.372033137531, - "CA_CB_OG1": 109.954726468443, - "CA_CB_CG2": 110.150027371418, - "CB_OG1": 1.44384437172225 + "CB_CG2": 1.53534187037374, + "OG1_CB_CG2": 103.883342048706, + "CA_CB_OG1": 107.621609070221, + "CA_CB_CG2": 109.715464863651, + "CB_OG1": 1.43396180548596 } }, { "pk": 33, "model": "pgd_core.sidechain_thr", "fields": { - "CB_CG2": 1.56721980516944, - "OG1_CB_CG2": 104.434641406357, - "CA_CB_OG1": 109.103445659565, - "CA_CB_CG2": 111.206778436791, - "CB_OG1": 1.44247361012588 + "CB_CG2": 1.51180260774819, + "OG1_CB_CG2": 106.126642945001, + "CA_CB_OG1": 111.064632024379, + "CA_CB_CG2": 110.322804116823, + "CB_OG1": 1.44243140350622 } }, { "pk": 34, "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.55074471176989, - "OG1_CB_CG2": 104.726174892082, - "CA_CB_OG1": 108.975257708067, - "CA_CB_CG2": 111.636216066376, - "CB_OG1": 1.42878144125747 - } -}, -{ - "pk": 35, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52473544112846, - "OG1_CB_CG2": 105.488851898366, - "CA_CB_OG1": 108.994056375961, - "CA_CB_CG2": 111.43941564193, - "CB_OG1": 1.44063132580731 - } -}, -{ - "pk": 36, - "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5170914813805, "OG1_CB_CG2": 109.521983094892, @@ -50255,18 +41503,7 @@ } }, { - "pk": 37, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52623989924287, - "OG1_CB_CG2": 105.07854024585, - "CA_CB_OG1": 110.165982556875, - "CA_CB_CG2": 110.075490753516, - "CB_OG1": 1.4341531319941 - } -}, -{ - "pk": 38, + "pk": 35, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52436594027557, @@ -50277,18 +41514,7 @@ } }, { - "pk": 39, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53535750498766, - "OG1_CB_CG2": 106.763055705546, - "CA_CB_OG1": 109.326035234813, - "CA_CB_CG2": 111.910913465704, - "CB_OG1": 1.43769948064805 - } -}, -{ - "pk": 40, + "pk": 36, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52497829904629, @@ -50299,7 +41525,7 @@ } }, { - "pk": 41, + "pk": 37, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52245052434967, @@ -50310,18 +41536,7 @@ } }, { - "pk": 42, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.54282012834743, - "OG1_CB_CG2": 104.28237407959, - "CA_CB_OG1": 109.335920170905, - "CA_CB_CG2": 110.608644900658, - "CB_OG1": 1.43790359943359 - } -}, -{ - "pk": 43, + "pk": 38, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52344373657811, @@ -50332,51 +41547,7 @@ } }, { - "pk": 44, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.49659698363855, - "OG1_CB_CG2": 104.212126553622, - "CA_CB_OG1": 109.651749112927, - "CA_CB_CG2": 110.820690857065, - "CB_OG1": 1.43490688372287 - } -}, -{ - "pk": 45, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.55369928502747, - "OG1_CB_CG2": 104.268516846607, - "CA_CB_OG1": 109.960921432467, - "CA_CB_CG2": 111.787520798947, - "CB_OG1": 1.4366241389118 - } -}, -{ - "pk": 46, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52726194611906, - "OG1_CB_CG2": 106.020662924975, - "CA_CB_OG1": 110.143013600182, - "CA_CB_CG2": 112.467568617251, - "CB_OG1": 1.43442023606612 - } -}, -{ - "pk": 47, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.5461025994303, - "OG1_CB_CG2": 103.256435213123, - "CA_CB_OG1": 109.798402100228, - "CA_CB_CG2": 110.194140392597, - "CB_OG1": 1.44079518723292 - } -}, -{ - "pk": 48, + "pk": 39, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52155164262454, @@ -50387,7 +41558,7 @@ } }, { - "pk": 49, + "pk": 40, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52656874463073, @@ -50398,18 +41569,7 @@ } }, { - "pk": 50, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.5018433909387, - "OG1_CB_CG2": 104.369680664509, - "CA_CB_OG1": 108.824087146294, - "CA_CB_CG2": 109.581143815412, - "CB_OG1": 1.43223008745911 - } -}, -{ - "pk": 51, + "pk": 41, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51981712285926, @@ -50420,18 +41580,7 @@ } }, { - "pk": 52, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53957658494088, - "OG1_CB_CG2": 105.849782030787, - "CA_CB_OG1": 110.902722306042, - "CA_CB_CG2": 110.876911810875, - "CB_OG1": 1.44504004116463 - } -}, -{ - "pk": 53, + "pk": 42, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51686673188261, @@ -50442,7 +41591,7 @@ } }, { - "pk": 54, + "pk": 43, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51277501532262, @@ -50453,7 +41602,7 @@ } }, { - "pk": 55, + "pk": 44, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52617273010506, @@ -50464,7 +41613,7 @@ } }, { - "pk": 56, + "pk": 45, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52695961240173, @@ -50475,18 +41624,7 @@ } }, { - "pk": 57, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52870604007934, - "OG1_CB_CG2": 104.987473732587, - "CA_CB_OG1": 109.141723984876, - "CA_CB_CG2": 109.176889582339, - "CB_OG1": 1.44122804315306 - } -}, -{ - "pk": 58, + "pk": 46, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51404468737299, @@ -50497,29 +41635,7 @@ } }, { - "pk": 59, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.54669568514673, - "OG1_CB_CG2": 104.344956385889, - "CA_CB_OG1": 108.751128259984, - "CA_CB_CG2": 110.847343056763, - "CB_OG1": 1.42887604345309 - } -}, -{ - "pk": 60, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.50883391369682, - "OG1_CB_CG2": 104.481243880871, - "CA_CB_OG1": 110.329319012712, - "CA_CB_CG2": 110.647308698985, - "CB_OG1": 1.43840943712189 - } -}, -{ - "pk": 61, + "pk": 47, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51156558801489, @@ -50530,29 +41646,7 @@ } }, { - "pk": 62, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52183480129184, - "OG1_CB_CG2": 104.204458598305, - "CA_CB_OG1": 110.499017871947, - "CA_CB_CG2": 111.732884360918, - "CB_OG1": 1.42876523550418 - } -}, -{ - "pk": 63, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52422832124556, - "OG1_CB_CG2": 105.076665697597, - "CA_CB_OG1": 109.104283433425, - "CA_CB_CG2": 110.04532494578, - "CB_OG1": 1.43375350808052 - } -}, -{ - "pk": 64, + "pk": 48, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51720155083238, @@ -50563,7 +41657,7 @@ } }, { - "pk": 65, + "pk": 49, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.525298724735, @@ -50574,7 +41668,7 @@ } }, { - "pk": 66, + "pk": 50, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52147141655509, @@ -50585,18 +41679,7 @@ } }, { - "pk": 67, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.49797852570396, - "OG1_CB_CG2": 101.659973052473, - "CA_CB_OG1": 108.338700340179, - "CA_CB_CG2": 111.635575224557, - "CB_OG1": 1.42660663903997 - } -}, -{ - "pk": 68, + "pk": 51, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51752775316666, @@ -50607,51 +41690,7 @@ } }, { - "pk": 69, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51306640209295, - "OG1_CB_CG2": 103.488398432443, - "CA_CB_OG1": 109.915571692552, - "CA_CB_CG2": 111.16212762406, - "CB_OG1": 1.43354520645426 - } -}, -{ - "pk": 70, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.5399645696908, - "OG1_CB_CG2": 106.202795071242, - "CA_CB_OG1": 109.408239088897, - "CA_CB_CG2": 112.043244739764, - "CB_OG1": 1.43926545718796 - } -}, -{ - "pk": 71, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.55184660139984, - "OG1_CB_CG2": 103.079963694978, - "CA_CB_OG1": 109.109395700376, - "CA_CB_CG2": 109.871442219376, - "CB_OG1": 1.428685329406 - } -}, -{ - "pk": 72, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52486636418436, - "OG1_CB_CG2": 106.95693279902, - "CA_CB_OG1": 108.284639068551, - "CA_CB_CG2": 110.47746369693, - "CB_OG1": 1.44940718248447 - } -}, -{ - "pk": 73, + "pk": 52, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52496998451795, @@ -50662,7 +41701,7 @@ } }, { - "pk": 74, + "pk": 53, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52050556289314, @@ -50673,7 +41712,7 @@ } }, { - "pk": 75, + "pk": 54, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51907484331299, @@ -50684,7 +41723,7 @@ } }, { - "pk": 76, + "pk": 55, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52158017098646, @@ -50695,7 +41734,7 @@ } }, { - "pk": 77, + "pk": 56, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52239577075627, @@ -50706,51 +41745,7 @@ } }, { - "pk": 78, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52400987960267, - "OG1_CB_CG2": 104.622650691281, - "CA_CB_OG1": 109.017148110319, - "CA_CB_CG2": 109.699159345372, - "CB_OG1": 1.43492796403286 - } -}, -{ - "pk": 79, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52207264391754, - "OG1_CB_CG2": 105.619602108767, - "CA_CB_OG1": 109.1994334082, - "CA_CB_CG2": 112.949913450937, - "CB_OG1": 1.42371044807629 - } -}, -{ - "pk": 80, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53574518311352, - "OG1_CB_CG2": 104.853823802927, - "CA_CB_OG1": 109.500787177189, - "CA_CB_CG2": 109.408343309536, - "CB_OG1": 1.4451231014712 - } -}, -{ - "pk": 81, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51712136880371, - "OG1_CB_CG2": 102.288533302623, - "CA_CB_OG1": 110.003023158305, - "CA_CB_CG2": 110.034814950781, - "CB_OG1": 1.43457038696777 - } -}, -{ - "pk": 82, + "pk": 57, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.48643531515529, @@ -50761,7 +41756,7 @@ } }, { - "pk": 83, + "pk": 58, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51318657077212, @@ -50772,51 +41767,7 @@ } }, { - "pk": 84, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.5409946533757, - "OG1_CB_CG2": 104.949844047136, - "CA_CB_OG1": 110.258255386596, - "CA_CB_CG2": 113.046945381604, - "CB_OG1": 1.44208584951889 - } -}, -{ - "pk": 85, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.55197173685884, - "OG1_CB_CG2": 104.753865839143, - "CA_CB_OG1": 109.730845680904, - "CA_CB_CG2": 111.851183559246, - "CB_OG1": 1.43298142545081 - } -}, -{ - "pk": 86, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.55961745947776, - "OG1_CB_CG2": 106.826604199139, - "CA_CB_OG1": 109.251283817549, - "CA_CB_CG2": 108.730853195436, - "CB_OG1": 1.4316556341963 - } -}, -{ - "pk": 87, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.55017651016898, - "OG1_CB_CG2": 103.664957349495, - "CA_CB_OG1": 108.554204893093, - "CA_CB_CG2": 110.882954540192, - "CB_OG1": 1.43897176386018 - } -}, -{ - "pk": 88, + "pk": 59, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.49726995574508, @@ -50827,40 +41778,7 @@ } }, { - "pk": 89, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.5272135669124, - "OG1_CB_CG2": 103.649761521055, - "CA_CB_OG1": 109.109778583113, - "CA_CB_CG2": 109.654611796809, - "CB_OG1": 1.43154300776734 - } -}, -{ - "pk": 90, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53583479654568, - "OG1_CB_CG2": 106.20001551977, - "CA_CB_OG1": 109.146666849761, - "CA_CB_CG2": 112.341468331582, - "CB_OG1": 1.44294616138154 - } -}, -{ - "pk": 91, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.56333128032036, - "OG1_CB_CG2": 104.544876441852, - "CA_CB_OG1": 112.38905503832, - "CA_CB_CG2": 110.327570222166, - "CB_OG1": 1.46148629750223 - } -}, -{ - "pk": 92, + "pk": 60, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50537957000736, @@ -50871,7 +41789,7 @@ } }, { - "pk": 93, + "pk": 61, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50923224675352, @@ -50882,7 +41800,7 @@ } }, { - "pk": 94, + "pk": 62, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51441829169362, @@ -50893,7 +41811,7 @@ } }, { - "pk": 95, + "pk": 63, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52694895605443, @@ -50904,7 +41822,7 @@ } }, { - "pk": 96, + "pk": 64, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51209605014203, @@ -50915,7 +41833,7 @@ } }, { - "pk": 97, + "pk": 65, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5198326527913, @@ -50926,18 +41844,7 @@ } }, { - "pk": 98, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51645684584134, - "OG1_CB_CG2": 104.703142823287, - "CA_CB_OG1": 108.844725259224, - "CA_CB_CG2": 109.465196657617, - "CB_OG1": 1.43952989848902 - } -}, -{ - "pk": 99, + "pk": 66, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5243565130719, @@ -50948,29 +41855,7 @@ } }, { - "pk": 100, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.54452402545151, - "OG1_CB_CG2": 104.866982078868, - "CA_CB_OG1": 109.351141226894, - "CA_CB_CG2": 110.724565568525, - "CB_OG1": 1.43278187522842 - } -}, -{ - "pk": 101, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52738620476808, - "OG1_CB_CG2": 103.815308413906, - "CA_CB_OG1": 109.323500262532, - "CA_CB_CG2": 110.35614858394, - "CB_OG1": 1.43677676515272 - } -}, -{ - "pk": 102, + "pk": 67, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50415148475827, @@ -50981,62 +41866,7 @@ } }, { - "pk": 103, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.50961706905036, - "OG1_CB_CG2": 105.562275625065, - "CA_CB_OG1": 109.802451136115, - "CA_CB_CG2": 111.210880791858, - "CB_OG1": 1.43568821946904 - } -}, -{ - "pk": 104, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53155408265377, - "OG1_CB_CG2": 105.972932795965, - "CA_CB_OG1": 109.33100228507, - "CA_CB_CG2": 110.056039583719, - "CB_OG1": 1.42736688833368 - } -}, -{ - "pk": 105, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52444906650352, - "OG1_CB_CG2": 108.610469011404, - "CA_CB_OG1": 109.915405361616, - "CA_CB_CG2": 110.912732498964, - "CB_OG1": 1.44359441854737 - } -}, -{ - "pk": 106, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.56234338185557, - "OG1_CB_CG2": 106.196939665608, - "CA_CB_OG1": 109.127077519355, - "CA_CB_CG2": 110.102117781152, - "CB_OG1": 1.45077837914067 - } -}, -{ - "pk": 107, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.5594398841805, - "OG1_CB_CG2": 104.21462087786, - "CA_CB_OG1": 109.213984977218, - "CA_CB_CG2": 110.370875687736, - "CB_OG1": 1.4349577415207 - } -}, -{ - "pk": 108, + "pk": 68, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52966367839738, @@ -51047,7 +41877,7 @@ } }, { - "pk": 109, + "pk": 69, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51768348866137, @@ -51058,7 +41888,7 @@ } }, { - "pk": 110, + "pk": 70, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52804190892882, @@ -51069,7 +41899,7 @@ } }, { - "pk": 111, + "pk": 71, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51980622978404, @@ -51080,18 +41910,7 @@ } }, { - "pk": 112, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53449970278969, - "OG1_CB_CG2": 103.397902574265, - "CA_CB_OG1": 109.199695041975, - "CA_CB_CG2": 110.051207992631, - "CB_OG1": 1.43164865138626 - } -}, -{ - "pk": 113, + "pk": 72, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52073519650109, @@ -51102,7 +41921,7 @@ } }, { - "pk": 114, + "pk": 73, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.54469800679368, @@ -51113,7 +41932,7 @@ } }, { - "pk": 115, + "pk": 74, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51706626019861, @@ -51124,18 +41943,7 @@ } }, { - "pk": 116, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.56890056838929, - "OG1_CB_CG2": 104.631711550071, - "CA_CB_OG1": 109.643494013586, - "CA_CB_CG2": 111.383646323412, - "CB_OG1": 1.42178973135278 - } -}, -{ - "pk": 117, + "pk": 75, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51935732323571, @@ -51146,73 +41954,7 @@ } }, { - "pk": 118, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53647286684951, - "OG1_CB_CG2": 106.664007779693, - "CA_CB_OG1": 109.977181970922, - "CA_CB_CG2": 112.593801033203, - "CB_OG1": 1.4430477555135 - } -}, -{ - "pk": 119, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51147810731715, - "OG1_CB_CG2": 102.546329692566, - "CA_CB_OG1": 109.211806074902, - "CA_CB_CG2": 109.871409672957, - "CB_OG1": 1.43238661293287 - } -}, -{ - "pk": 120, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.50920505742273, - "OG1_CB_CG2": 101.267198111938, - "CA_CB_OG1": 109.223191061043, - "CA_CB_CG2": 110.437553905975, - "CB_OG1": 1.42586064602452 - } -}, -{ - "pk": 121, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51885197471425, - "OG1_CB_CG2": 103.31976695301, - "CA_CB_OG1": 109.180533410512, - "CA_CB_CG2": 111.855991271104, - "CB_OG1": 1.43389608947374 - } -}, -{ - "pk": 122, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53161183341089, - "OG1_CB_CG2": 105.409589806284, - "CA_CB_OG1": 109.545540291866, - "CA_CB_CG2": 111.579176068926, - "CB_OG1": 1.43472847536369 - } -}, -{ - "pk": 123, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51851977952621, - "OG1_CB_CG2": 105.831321856767, - "CA_CB_OG1": 110.765381141576, - "CA_CB_CG2": 111.446919034413, - "CB_OG1": 1.44775676921374 - } -}, -{ - "pk": 124, + "pk": 76, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51426536662458, @@ -51223,51 +41965,7 @@ } }, { - "pk": 125, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52323891075849, - "OG1_CB_CG2": 105.635208785166, - "CA_CB_OG1": 108.373376646635, - "CA_CB_CG2": 110.85375451933, - "CB_OG1": 1.43187984888491 - } -}, -{ - "pk": 126, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.536829569477, - "OG1_CB_CG2": 106.078186705017, - "CA_CB_OG1": 109.342375172213, - "CA_CB_CG2": 110.495937453539, - "CB_OG1": 1.44185340193584 - } -}, -{ - "pk": 127, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53599732193237, - "OG1_CB_CG2": 105.826999743275, - "CA_CB_OG1": 109.64215093431, - "CA_CB_CG2": 111.691909673932, - "CB_OG1": 1.43087293787974 - } -}, -{ - "pk": 128, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51056856068379, - "OG1_CB_CG2": 104.4421687689, - "CA_CB_OG1": 109.837468453225, - "CA_CB_CG2": 109.320968403286, - "CB_OG1": 1.44984358298301 - } -}, -{ - "pk": 129, + "pk": 77, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50341641016226, @@ -51278,18 +41976,7 @@ } }, { - "pk": 130, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.5182429012171, - "OG1_CB_CG2": 106.016813608142, - "CA_CB_OG1": 110.215538586118, - "CA_CB_CG2": 110.679354506259, - "CB_OG1": 1.43730234406393 - } -}, -{ - "pk": 131, + "pk": 78, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52327488687964, @@ -51300,7 +41987,7 @@ } }, { - "pk": 132, + "pk": 79, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51897203688648, @@ -51311,7 +41998,7 @@ } }, { - "pk": 133, + "pk": 80, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52446341302017, @@ -51322,29 +42009,7 @@ } }, { - "pk": 134, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52353419873038, - "OG1_CB_CG2": 105.093622119066, - "CA_CB_OG1": 108.488723299375, - "CA_CB_CG2": 111.150303059584, - "CB_OG1": 1.43550227818449 - } -}, -{ - "pk": 135, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51765380783892, - "OG1_CB_CG2": 102.929009481164, - "CA_CB_OG1": 109.473035307223, - "CA_CB_CG2": 111.004039489163, - "CB_OG1": 1.42513985902029 - } -}, -{ - "pk": 136, + "pk": 81, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5405833805477, @@ -51355,7 +42020,7 @@ } }, { - "pk": 137, + "pk": 82, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51155427815932, @@ -51366,29 +42031,7 @@ } }, { - "pk": 138, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.49956661137964, - "OG1_CB_CG2": 102.595478184895, - "CA_CB_OG1": 110.287421837076, - "CA_CB_CG2": 111.733145694221, - "CB_OG1": 1.44713737421006 - } -}, -{ - "pk": 139, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.50417926690833, - "OG1_CB_CG2": 105.239415428193, - "CA_CB_OG1": 110.114955949096, - "CA_CB_CG2": 110.916852490549, - "CB_OG1": 1.43456190046215 - } -}, -{ - "pk": 140, + "pk": 83, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50817056562601, @@ -51399,40 +42042,7 @@ } }, { - "pk": 141, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.50305021252753, - "OG1_CB_CG2": 103.201628004142, - "CA_CB_OG1": 109.199101695179, - "CA_CB_CG2": 110.598349798933, - "CB_OG1": 1.43457242118267 - } -}, -{ - "pk": 142, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.52995689520874, - "OG1_CB_CG2": 102.977323333074, - "CA_CB_OG1": 108.826316201192, - "CA_CB_CG2": 111.773763599357, - "CB_OG1": 1.43929061168412 - } -}, -{ - "pk": 143, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.53534187037374, - "OG1_CB_CG2": 103.883342048706, - "CA_CB_OG1": 107.621609070221, - "CA_CB_CG2": 109.715464863651, - "CB_OG1": 1.43396180548596 - } -}, -{ - "pk": 144, + "pk": 84, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51699418013254, @@ -51443,7 +42053,7 @@ } }, { - "pk": 145, + "pk": 85, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52160614488402, @@ -51454,18 +42064,7 @@ } }, { - "pk": 146, - "model": "pgd_core.sidechain_thr", - "fields": { - "CB_CG2": 1.51180260774819, - "OG1_CB_CG2": 106.126642945001, - "CA_CB_OG1": 111.064632024379, - "CA_CB_CG2": 110.322804116823, - "CB_OG1": 1.44243140350622 - } -}, -{ - "pk": 147, + "pk": 86, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52033184273068, @@ -51476,7 +42075,7 @@ } }, { - "pk": 148, + "pk": 87, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51746869369646, @@ -51487,7 +42086,7 @@ } }, { - "pk": 149, + "pk": 88, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52924599245439, @@ -51498,7 +42097,7 @@ } }, { - "pk": 150, + "pk": 89, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50611414687637, @@ -51509,7 +42108,7 @@ } }, { - "pk": 151, + "pk": 90, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50586251386545, @@ -51520,7 +42119,7 @@ } }, { - "pk": 152, + "pk": 91, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5171355768586, @@ -51531,7 +42130,7 @@ } }, { - "pk": 153, + "pk": 92, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51450035783583, @@ -51542,7 +42141,7 @@ } }, { - "pk": 154, + "pk": 93, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52352843472662, @@ -51553,7 +42152,7 @@ } }, { - "pk": 155, + "pk": 94, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52293383643628, @@ -51564,7 +42163,7 @@ } }, { - "pk": 156, + "pk": 95, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51528439083462, @@ -51575,7 +42174,7 @@ } }, { - "pk": 157, + "pk": 96, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5029911759129, @@ -51586,7 +42185,7 @@ } }, { - "pk": 158, + "pk": 97, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5191235463113, @@ -51597,7 +42196,7 @@ } }, { - "pk": 159, + "pk": 98, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52144609386092, @@ -51608,7 +42207,7 @@ } }, { - "pk": 160, + "pk": 99, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50380424716838, @@ -51619,7 +42218,7 @@ } }, { - "pk": 161, + "pk": 100, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51856474211028, @@ -51630,7 +42229,7 @@ } }, { - "pk": 162, + "pk": 101, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52149552642675, @@ -51641,7 +42240,7 @@ } }, { - "pk": 163, + "pk": 102, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51737790149666, @@ -51652,7 +42251,7 @@ } }, { - "pk": 164, + "pk": 103, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52455606525048, @@ -51663,7 +42262,7 @@ } }, { - "pk": 165, + "pk": 104, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5235542822715, @@ -51674,7 +42273,7 @@ } }, { - "pk": 166, + "pk": 105, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52882221701524, @@ -51685,7 +42284,7 @@ } }, { - "pk": 167, + "pk": 106, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50402996816886, @@ -51696,7 +42295,7 @@ } }, { - "pk": 168, + "pk": 107, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52755514325638, @@ -51707,7 +42306,7 @@ } }, { - "pk": 169, + "pk": 108, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51563012153581, @@ -51718,7 +42317,7 @@ } }, { - "pk": 170, + "pk": 109, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52838501570469, @@ -51729,7 +42328,7 @@ } }, { - "pk": 171, + "pk": 110, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.49699298164117, @@ -51740,7 +42339,7 @@ } }, { - "pk": 172, + "pk": 111, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50389549771423, @@ -51751,7 +42350,7 @@ } }, { - "pk": 173, + "pk": 112, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53790599461539, @@ -51762,7 +42361,7 @@ } }, { - "pk": 174, + "pk": 113, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52017473309395, @@ -51773,7 +42372,7 @@ } }, { - "pk": 175, + "pk": 114, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51983639420881, @@ -51784,7 +42383,7 @@ } }, { - "pk": 176, + "pk": 115, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5217759818894, @@ -51795,7 +42394,7 @@ } }, { - "pk": 177, + "pk": 116, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50528817592451, @@ -51806,7 +42405,7 @@ } }, { - "pk": 178, + "pk": 117, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51290622963791, @@ -51817,7 +42416,7 @@ } }, { - "pk": 179, + "pk": 118, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52732798153055, @@ -51828,7 +42427,7 @@ } }, { - "pk": 180, + "pk": 119, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52094400978358, @@ -51839,7 +42438,7 @@ } }, { - "pk": 181, + "pk": 120, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50942002551953, @@ -51850,7 +42449,7 @@ } }, { - "pk": 182, + "pk": 121, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51661847317303, @@ -51861,7 +42460,7 @@ } }, { - "pk": 183, + "pk": 122, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5314948122226, @@ -51872,7 +42471,7 @@ } }, { - "pk": 184, + "pk": 123, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51692601242121, @@ -51883,7 +42482,7 @@ } }, { - "pk": 185, + "pk": 124, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51309658027448, @@ -51894,7 +42493,7 @@ } }, { - "pk": 186, + "pk": 125, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50945803990796, @@ -51905,7 +42504,7 @@ } }, { - "pk": 187, + "pk": 126, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51912408486339, @@ -51916,7 +42515,7 @@ } }, { - "pk": 188, + "pk": 127, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52806139453719, @@ -51927,7 +42526,7 @@ } }, { - "pk": 189, + "pk": 128, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52556120690439, @@ -51938,7 +42537,7 @@ } }, { - "pk": 190, + "pk": 129, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51752245864897, @@ -51949,7 +42548,7 @@ } }, { - "pk": 191, + "pk": 130, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50907443331808, @@ -51960,7 +42559,7 @@ } }, { - "pk": 192, + "pk": 131, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52264615086129, @@ -51971,7 +42570,7 @@ } }, { - "pk": 193, + "pk": 132, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52000090932908, @@ -51982,7 +42581,7 @@ } }, { - "pk": 194, + "pk": 133, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51530945524751, @@ -51993,7 +42592,7 @@ } }, { - "pk": 195, + "pk": 134, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50994393630428, @@ -52004,7 +42603,7 @@ } }, { - "pk": 196, + "pk": 135, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52395738406627, @@ -52015,7 +42614,7 @@ } }, { - "pk": 197, + "pk": 136, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51360952419684, @@ -52026,7 +42625,7 @@ } }, { - "pk": 198, + "pk": 137, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52087959415596, @@ -52037,7 +42636,7 @@ } }, { - "pk": 199, + "pk": 138, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51096222475948, @@ -52048,7 +42647,7 @@ } }, { - "pk": 200, + "pk": 139, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50796606842097, @@ -52059,7 +42658,7 @@ } }, { - "pk": 201, + "pk": 140, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51216501672455, @@ -52070,7 +42669,7 @@ } }, { - "pk": 202, + "pk": 141, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50382812719328, @@ -52081,7 +42680,7 @@ } }, { - "pk": 203, + "pk": 142, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52319382764046, @@ -52092,7 +42691,7 @@ } }, { - "pk": 204, + "pk": 143, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5191179373094, @@ -52103,7 +42702,7 @@ } }, { - "pk": 205, + "pk": 144, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51755442038996, @@ -52114,7 +42713,7 @@ } }, { - "pk": 206, + "pk": 145, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52282068112272, @@ -52125,7 +42724,7 @@ } }, { - "pk": 207, + "pk": 146, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.527977766153, @@ -52136,7 +42735,7 @@ } }, { - "pk": 208, + "pk": 147, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51957564520006, @@ -52147,7 +42746,7 @@ } }, { - "pk": 209, + "pk": 148, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51758747835077, @@ -52158,7 +42757,7 @@ } }, { - "pk": 210, + "pk": 149, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53492295436364, @@ -52169,7 +42768,7 @@ } }, { - "pk": 211, + "pk": 150, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53003722947702, @@ -52180,7 +42779,7 @@ } }, { - "pk": 212, + "pk": 151, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51555138259691, @@ -52191,7 +42790,7 @@ } }, { - "pk": 213, + "pk": 152, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5212229479206, @@ -52202,7 +42801,7 @@ } }, { - "pk": 214, + "pk": 153, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53081031771531, @@ -52213,7 +42812,7 @@ } }, { - "pk": 215, + "pk": 154, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5241790407533, @@ -52224,7 +42823,7 @@ } }, { - "pk": 216, + "pk": 155, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51223924901386, @@ -52235,7 +42834,7 @@ } }, { - "pk": 217, + "pk": 156, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52443201326315, @@ -52246,7 +42845,7 @@ } }, { - "pk": 218, + "pk": 157, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51836297606038, @@ -52257,7 +42856,7 @@ } }, { - "pk": 219, + "pk": 158, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51199094248113, @@ -52268,7 +42867,7 @@ } }, { - "pk": 220, + "pk": 159, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5238987631036, @@ -52279,7 +42878,7 @@ } }, { - "pk": 221, + "pk": 160, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51901425869587, @@ -52290,7 +42889,7 @@ } }, { - "pk": 222, + "pk": 161, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52505621806602, @@ -52301,7 +42900,7 @@ } }, { - "pk": 223, + "pk": 162, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53762067956816, @@ -52312,7 +42911,7 @@ } }, { - "pk": 224, + "pk": 163, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52523097956274, @@ -52323,7 +42922,7 @@ } }, { - "pk": 225, + "pk": 164, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50700122591476, @@ -52334,7 +42933,7 @@ } }, { - "pk": 226, + "pk": 165, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51854033448158, @@ -52345,7 +42944,7 @@ } }, { - "pk": 227, + "pk": 166, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51823118427371, @@ -52356,7 +42955,7 @@ } }, { - "pk": 228, + "pk": 167, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53669287285863, @@ -52367,7 +42966,7 @@ } }, { - "pk": 229, + "pk": 168, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52388446865654, @@ -52378,7 +42977,7 @@ } }, { - "pk": 230, + "pk": 169, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53025815741096, @@ -52389,7 +42988,7 @@ } }, { - "pk": 231, + "pk": 170, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51783258617322, @@ -52400,7 +42999,7 @@ } }, { - "pk": 232, + "pk": 171, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52287193365072, @@ -52411,7 +43010,7 @@ } }, { - "pk": 233, + "pk": 172, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52154123041454, @@ -52422,7 +43021,7 @@ } }, { - "pk": 234, + "pk": 173, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52464026463894, @@ -52433,7 +43032,7 @@ } }, { - "pk": 235, + "pk": 174, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52020577493464, @@ -52444,7 +43043,7 @@ } }, { - "pk": 236, + "pk": 175, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51904152488649, @@ -52455,7 +43054,7 @@ } }, { - "pk": 237, + "pk": 176, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51503804388556, @@ -52466,7 +43065,7 @@ } }, { - "pk": 238, + "pk": 177, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52131045489972, @@ -52477,7 +43076,7 @@ } }, { - "pk": 239, + "pk": 178, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51629523854615, @@ -52488,7 +43087,7 @@ } }, { - "pk": 240, + "pk": 179, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52117344594385, @@ -52499,7 +43098,7 @@ } }, { - "pk": 241, + "pk": 180, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50455150590479, @@ -52510,7 +43109,7 @@ } }, { - "pk": 242, + "pk": 181, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51847948821218, @@ -52521,7 +43120,7 @@ } }, { - "pk": 243, + "pk": 182, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51628838839517, @@ -52532,7 +43131,7 @@ } }, { - "pk": 244, + "pk": 183, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52590335559927, @@ -52543,7 +43142,7 @@ } }, { - "pk": 245, + "pk": 184, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50996867984942, @@ -52554,7 +43153,7 @@ } }, { - "pk": 246, + "pk": 185, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50650138844915, @@ -52565,7 +43164,7 @@ } }, { - "pk": 247, + "pk": 186, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.54055412588194, @@ -52576,7 +43175,7 @@ } }, { - "pk": 248, + "pk": 187, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52008434560169, @@ -52587,7 +43186,7 @@ } }, { - "pk": 249, + "pk": 188, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52029211565109, @@ -52598,7 +43197,7 @@ } }, { - "pk": 250, + "pk": 189, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.5220473082902, @@ -52609,7 +43208,7 @@ } }, { - "pk": 251, + "pk": 190, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52811557595571, @@ -52620,7 +43219,7 @@ } }, { - "pk": 252, + "pk": 191, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53646026854216, @@ -52631,7 +43230,7 @@ } }, { - "pk": 253, + "pk": 192, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51756879617439, @@ -52642,7 +43241,7 @@ } }, { - "pk": 254, + "pk": 193, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52566929259115, @@ -52653,7 +43252,7 @@ } }, { - "pk": 255, + "pk": 194, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50699914988201, @@ -52664,7 +43263,7 @@ } }, { - "pk": 256, + "pk": 195, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.46291380082221, @@ -52675,7 +43274,7 @@ } }, { - "pk": 257, + "pk": 196, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50283984338514, @@ -52686,7 +43285,7 @@ } }, { - "pk": 258, + "pk": 197, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53493790243548, @@ -52697,7 +43296,7 @@ } }, { - "pk": 259, + "pk": 198, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52580693703205, @@ -52708,7 +43307,7 @@ } }, { - "pk": 260, + "pk": 199, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51505287231291, @@ -52719,7 +43318,7 @@ } }, { - "pk": 261, + "pk": 200, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51813647286247, @@ -52730,7 +43329,7 @@ } }, { - "pk": 262, + "pk": 201, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52642975005467, @@ -52741,7 +43340,7 @@ } }, { - "pk": 263, + "pk": 202, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52559234077949, @@ -52752,7 +43351,7 @@ } }, { - "pk": 264, + "pk": 203, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51561342688544, @@ -52763,7 +43362,7 @@ } }, { - "pk": 265, + "pk": 204, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52170722925252, @@ -52774,7 +43373,7 @@ } }, { - "pk": 266, + "pk": 205, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51524889961254, @@ -52785,7 +43384,7 @@ } }, { - "pk": 267, + "pk": 206, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51476522130503, @@ -52796,7 +43395,7 @@ } }, { - "pk": 268, + "pk": 207, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50938261162087, @@ -52807,7 +43406,7 @@ } }, { - "pk": 269, + "pk": 208, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.522494750569, @@ -52818,7 +43417,7 @@ } }, { - "pk": 270, + "pk": 209, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52181819589242, @@ -52829,7 +43428,7 @@ } }, { - "pk": 271, + "pk": 210, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52236871726037, @@ -52840,7 +43439,7 @@ } }, { - "pk": 272, + "pk": 211, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52148050344768, @@ -52851,7 +43450,7 @@ } }, { - "pk": 273, + "pk": 212, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52488103667266, @@ -52862,7 +43461,7 @@ } }, { - "pk": 274, + "pk": 213, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51897887261781, @@ -52873,7 +43472,7 @@ } }, { - "pk": 275, + "pk": 214, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52307709595883, @@ -52884,7 +43483,7 @@ } }, { - "pk": 276, + "pk": 215, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52642371488061, @@ -52895,7 +43494,7 @@ } }, { - "pk": 277, + "pk": 216, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52604645385214, @@ -52906,7 +43505,7 @@ } }, { - "pk": 278, + "pk": 217, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52331449936112, @@ -52917,7 +43516,7 @@ } }, { - "pk": 279, + "pk": 218, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53339601276902, @@ -52928,7 +43527,7 @@ } }, { - "pk": 280, + "pk": 219, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52656695697197, @@ -52939,7 +43538,7 @@ } }, { - "pk": 281, + "pk": 220, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52086647823363, @@ -52950,7 +43549,7 @@ } }, { - "pk": 282, + "pk": 221, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.53076698199388, @@ -52961,7 +43560,7 @@ } }, { - "pk": 283, + "pk": 222, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52033456921964, @@ -52972,7 +43571,7 @@ } }, { - "pk": 284, + "pk": 223, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51415574435568, @@ -52983,7 +43582,7 @@ } }, { - "pk": 285, + "pk": 224, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52205752198972, @@ -52994,7 +43593,7 @@ } }, { - "pk": 286, + "pk": 225, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51529777893378, @@ -53005,7 +43604,7 @@ } }, { - "pk": 287, + "pk": 226, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.50199641224222, @@ -53016,7 +43615,7 @@ } }, { - "pk": 288, + "pk": 227, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52929228536709, @@ -53027,7 +43626,7 @@ } }, { - "pk": 289, + "pk": 228, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.52555890702206, @@ -53038,7 +43637,7 @@ } }, { - "pk": 290, + "pk": 229, "model": "pgd_core.sidechain_thr", "fields": { "CB_CG2": 1.51216343630715, @@ -53118,302 +43717,71 @@ "pk": 3, "model": "pgd_core.sidechain_trp", "fields": { - "CD2_CG_CD1": 106.111125272475, - "CG_CD2": 1.42017447112888, - "CE2_CZ2": 1.38212223297146, - "CE3_CZ3_CH2": 121.187320975298, - "CG_CD2_CE3": 133.814399399367, - "CE2_CZ2_CH2": 117.624007128045, - "CA_CB_CG": 113.343747943513, - "CZ2_CH2_CZ3": 121.288838235147, - "CD1_NE1": 1.3758323128414, - "CB_CG": 1.50833243629295, - "CG_CD1": 1.37965454376867, - "CD2_CE3_CZ3": 118.893730701515, - "NE1_CE2_CZ2": 130.055121216927, - "NE1_CE2": 1.36963517321284, - "CD1_NE1_CE2": 108.690339529379, - "CE2_CD2_CE3": 118.617726286098, - "CG_CD1_NE1": 110.083342729305, - "CZ2_CH2": 1.36828914986958, - "NE1_CE2_CD2": 107.534976413416, - "CD2_CE2_CZ2": 122.386763306155, - "CB_CG_CD2": 126.1716728496, - "CB_CG_CD1": 127.711940109331, - "CG_CD2_CE2": 107.56731875772, - "CD2_CE3": 1.39480294119339, - "CD2_CE2": 1.41635780414188, - "CH2_CZ3": 1.40275143309676, - "CZ3_CE3": 1.37480565535949 + "CD2_CG_CD1": 106.35919548924, + "CG_CD2": 1.42379925848459, + "CE2_CZ2": 1.38756389492024, + "CE3_CZ3_CH2": 120.690981477351, + "CG_CD2_CE3": 133.913534947171, + "CE2_CZ2_CH2": 117.498311309545, + "CA_CB_CG": 109.992256052585, + "CZ2_CH2_CZ3": 121.6732248153, + "CD1_NE1": 1.3809422996127, + "CB_CG": 1.51504208372486, + "CG_CD1": 1.35343266583232, + "CD2_CE3_CZ3": 119.048220805123, + "NE1_CE2_CZ2": 130.258195517074, + "NE1_CE2": 1.36508211684504, + "CD1_NE1_CE2": 108.614073212648, + "CE2_CD2_CE3": 118.539050424038, + "CG_CD1_NE1": 110.294120481015, + "CZ2_CH2": 1.37866329499315, + "NE1_CE2_CD2": 107.20236447791, + "CD2_CE2_CZ2": 122.536415568365, + "CB_CG_CD2": 125.962577480946, + "CB_CG_CD1": 127.607109902987, + "CG_CD2_CE2": 107.508860095303, + "CD2_CE3": 1.40592977773422, + "CD2_CE2": 1.41121149949324, + "CH2_CZ3": 1.39811748419963, + "CZ3_CE3": 1.38691874436287 } }, { "pk": 4, "model": "pgd_core.sidechain_trp", "fields": { - "CD2_CG_CD1": 106.292874378163, - "CG_CD2": 1.42963340727808, - "CE2_CZ2": 1.40315521163703, - "CE3_CZ3_CH2": 121.264702987139, - "CG_CD2_CE3": 133.971517036367, - "CE2_CZ2_CH2": 117.190062246295, - "CA_CB_CG": 117.78626884958, - "CZ2_CH2_CZ3": 121.565290772574, - "CD1_NE1": 1.37497716732131, - "CB_CG": 1.48884782663282, - "CG_CD1": 1.3680817897528, - "CD2_CE3_CZ3": 118.691757623008, - "NE1_CE2_CZ2": 130.07806276472, - "NE1_CE2": 1.36969041793157, - "CD1_NE1_CE2": 109.054468536194, - "CE2_CD2_CE3": 118.657457653484, - "CG_CD1_NE1": 109.988548394219, - "CZ2_CH2": 1.37159191423052, - "NE1_CE2_CD2": 107.290497029506, - "CD2_CE2_CZ2": 122.61729409191, - "CB_CG_CD2": 126.928988120712, - "CB_CG_CD1": 126.649640672735, - "CG_CD2_CE2": 107.350908909474, - "CD2_CE3": 1.40570578039629, - "CD2_CE2": 1.4124661267373, - "CH2_CZ3": 1.40578890088241, - "CZ3_CE3": 1.38677722772874 + "CD2_CG_CD1": 106.440942767029, + "CG_CD2": 1.4361333788319, + "CE2_CZ2": 1.40644840058284, + "CE3_CZ3_CH2": 120.818167896231, + "CG_CD2_CE3": 133.799933967789, + "CE2_CZ2_CH2": 117.546019385252, + "CA_CB_CG": 116.446593420732, + "CZ2_CH2_CZ3": 121.471446243883, + "CD1_NE1": 1.37492025287819, + "CB_CG": 1.47401846699427, + "CG_CD1": 1.36199794807295, + "CD2_CE3_CZ3": 119.076415323939, + "NE1_CE2_CZ2": 130.499485546042, + "NE1_CE2": 1.37358055208224, + "CD1_NE1_CE2": 109.279420274093, + "CE2_CD2_CE3": 118.763785046439, + "CG_CD1_NE1": 109.646454796384, + "CZ2_CH2": 1.37963073239107, + "NE1_CE2_CD2": 107.181376403404, + "CD2_CE2_CZ2": 122.312754212365, + "CB_CG_CD2": 125.568501531427, + "CB_CG_CD1": 127.969827526339, + "CG_CD2_CE2": 107.427133980758, + "CD2_CE3": 1.41645185549428, + "CD2_CE2": 1.40025511145356, + "CH2_CZ3": 1.40404440532474, + "CZ3_CE3": 1.38529228724907 } }, { "pk": 5, "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.35476213243, - "CG_CD2": 1.42599302647269, - "CE2_CZ2": 1.41120281359551, - "CE3_CZ3_CH2": 121.448030163494, - "CG_CD2_CE3": 133.99199473811, - "CE2_CZ2_CH2": 117.378859290812, - "CA_CB_CG": 112.740571552202, - "CZ2_CH2_CZ3": 120.906593019615, - "CD1_NE1": 1.37667918955257, - "CB_CG": 1.480121923964, - "CG_CD1": 1.36433049539221, - "CD2_CE3_CZ3": 118.962813981991, - "NE1_CE2_CZ2": 130.008544212461, - "NE1_CE2": 1.36550875270295, - "CD1_NE1_CE2": 109.211419523663, - "CE2_CD2_CE3": 118.460597805715, - "CG_CD1_NE1": 109.758432059532, - "CZ2_CH2": 1.36591979798767, - "NE1_CE2_CD2": 107.116037631847, - "CD2_CE2_CZ2": 122.822020041608, - "CB_CG_CD2": 126.810668299874, - "CB_CG_CD1": 126.829059769992, - "CG_CD2_CE2": 107.546295137851, - "CD2_CE3": 1.39299619545244, - "CD2_CE2": 1.40953658075576, - "CH2_CZ3": 1.4102115599825, - "CZ3_CE3": 1.39336047449602 - } -}, -{ - "pk": 6, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 105.854010870539, - "CG_CD2": 1.43330151414806, - "CE2_CZ2": 1.38169362927484, - "CE3_CZ3_CH2": 121.067825997903, - "CG_CD2_CE3": 133.922147834753, - "CE2_CZ2_CH2": 117.300276613496, - "CA_CB_CG": 111.829989911992, - "CZ2_CH2_CZ3": 121.949791365995, - "CD1_NE1": 1.37733515957232, - "CB_CG": 1.50687091473102, - "CG_CD1": 1.39053358784474, - "CD2_CE3_CZ3": 118.867436135683, - "NE1_CE2_CZ2": 129.812516477187, - "NE1_CE2": 1.37480237644211, - "CD1_NE1_CE2": 108.800590477921, - "CE2_CD2_CE3": 118.558668625431, - "CG_CD1_NE1": 109.896349395459, - "CZ2_CH2": 1.36056843739663, - "NE1_CE2_CD2": 107.91492026976, - "CD2_CE2_CZ2": 122.248579691924, - "CB_CG_CD2": 126.688035070151, - "CB_CG_CD1": 127.454416956029, - "CG_CD2_CE2": 107.514681005276, - "CD2_CE3": 1.40635954254906, - "CD2_CE2": 1.41069365917869, - "CH2_CZ3": 1.401259283887, - "CZ3_CE3": 1.35626458353805 - } -}, -{ - "pk": 7, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.289402824958, - "CG_CD2": 1.42218464700126, - "CE2_CZ2": 1.403395304278, - "CE3_CZ3_CH2": 120.983448633278, - "CG_CD2_CE3": 133.974299065178, - "CE2_CZ2_CH2": 117.318310715077, - "CA_CB_CG": 109.412366558347, - "CZ2_CH2_CZ3": 121.745200742853, - "CD1_NE1": 1.37735354983857, - "CB_CG": 1.50088624843334, - "CG_CD1": 1.37203261561981, - "CD2_CE3_CZ3": 118.874513816842, - "NE1_CE2_CZ2": 129.95456314589, - "NE1_CE2": 1.3702705510101, - "CD1_NE1_CE2": 108.641201258706, - "CE2_CD2_CE3": 118.537270089413, - "CG_CD1_NE1": 110.076170942135, - "CZ2_CH2": 1.3788486199953, - "NE1_CE2_CD2": 107.505240870375, - "CD2_CE2_CZ2": 122.535238419239, - "CB_CG_CD2": 126.506254782692, - "CB_CG_CD1": 127.186276405617, - "CG_CD2_CE2": 107.487397999803, - "CD2_CE3": 1.40060237431429, - "CD2_CE2": 1.41313671732107, - "CH2_CZ3": 1.38849273216023, - "CZ3_CE3": 1.40506905702679 - } -}, -{ - "pk": 8, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.168687547615, - "CG_CD2": 1.43428374557095, - "CE2_CZ2": 1.39756345576045, - "CE3_CZ3_CH2": 121.159169161161, - "CG_CD2_CE3": 134.178568276924, - "CE2_CZ2_CH2": 117.399062701992, - "CA_CB_CG": 110.189736668509, - "CZ2_CH2_CZ3": 121.162035555435, - "CD1_NE1": 1.37372456925194, - "CB_CG": 1.49068818385973, - "CG_CD1": 1.35578605867065, - "CD2_CE3_CZ3": 118.86958471936, - "NE1_CE2_CZ2": 129.996612573908, - "NE1_CE2": 1.3676376642021, - "CD1_NE1_CE2": 108.921027065072, - "CE2_CD2_CE3": 118.588799222313, - "CG_CD1_NE1": 110.497979772725, - "CZ2_CH2": 1.38792765332758, - "NE1_CE2_CD2": 107.185262019221, - "CD2_CE2_CZ2": 122.814723040934, - "CB_CG_CD2": 127.328044036976, - "CB_CG_CD1": 126.496683561641, - "CG_CD2_CE2": 107.219879935773, - "CD2_CE3": 1.39645219849807, - "CD2_CE2": 1.41301175122138, - "CH2_CZ3": 1.3927188750189, - "CZ3_CE3": 1.4073269170701 - } -}, -{ - "pk": 9, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.286501641867, - "CG_CD2": 1.42754591336669, - "CE2_CZ2": 1.3981380444534, - "CE3_CZ3_CH2": 120.514658273012, - "CG_CD2_CE3": 133.863299209024, - "CE2_CZ2_CH2": 117.850245407122, - "CA_CB_CG": 112.945028169447, - "CZ2_CH2_CZ3": 121.304080929858, - "CD1_NE1": 1.37223329756529, - "CB_CG": 1.47773812323588, - "CG_CD1": 1.38644310526395, - "CD2_CE3_CZ3": 119.235948411132, - "NE1_CE2_CZ2": 129.824017086062, - "NE1_CE2": 1.36867198522808, - "CD1_NE1_CE2": 109.367745157148, - "CE2_CD2_CE3": 118.684800184227, - "CG_CD1_NE1": 109.11204519309, - "CZ2_CH2": 1.37796374504741, - "NE1_CE2_CD2": 107.774695917603, - "CD2_CE2_CZ2": 122.400917502761, - "CB_CG_CD2": 126.58065378394, - "CB_CG_CD1": 127.122081418151, - "CG_CD2_CE2": 107.448158269736, - "CD2_CE3": 1.41213439347837, - "CD2_CE2": 1.40075516315033, - "CH2_CZ3": 1.40727813963976, - "CZ3_CE3": 1.38837004865938 - } -}, -{ - "pk": 10, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.390332412415, - "CG_CD2": 1.42269401540973, - "CE2_CZ2": 1.40537629405558, - "CE3_CZ3_CH2": 120.718612635051, - "CG_CD2_CE3": 133.818217402205, - "CE2_CZ2_CH2": 117.529585032096, - "CA_CB_CG": 108.502176745611, - "CZ2_CH2_CZ3": 121.581337674759, - "CD1_NE1": 1.3763259276276, - "CB_CG": 1.50645995184697, - "CG_CD1": 1.38610601553178, - "CD2_CE3_CZ3": 119.018450963656, - "NE1_CE2_CZ2": 129.969294074518, - "NE1_CE2": 1.37525616265663, - "CD1_NE1_CE2": 108.935508922991, - "CE2_CD2_CE3": 118.676969334747, - "CG_CD1_NE1": 109.59209382478, - "CZ2_CH2": 1.3843009568616, - "NE1_CE2_CD2": 107.545266918001, - "CD2_CE2_CZ2": 122.46368563742, - "CB_CG_CD2": 125.711520271642, - "CB_CG_CD1": 127.746466090288, - "CG_CD2_CE2": 107.493086971096, - "CD2_CE3": 1.41436056793466, - "CD2_CE2": 1.41449758551313, - "CH2_CZ3": 1.40839684127291, - "CZ3_CE3": 1.39894482175918 - } -}, -{ - "pk": 11, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.041705845972, - "CG_CD2": 1.43791995966565, - "CE2_CZ2": 1.39089459277078, - "CE3_CZ3_CH2": 121.062767667582, - "CG_CD2_CE3": 134.274658831888, - "CE2_CZ2_CH2": 118.161258614944, - "CA_CB_CG": 114.42719837969, - "CZ2_CH2_CZ3": 121.345187768233, - "CD1_NE1": 1.37511062925136, - "CB_CG": 1.49659845104014, - "CG_CD1": 1.36856146990802, - "CD2_CE3_CZ3": 118.405817076983, - "NE1_CE2_CZ2": 129.878976741684, - "NE1_CE2": 1.36834905371627, - "CD1_NE1_CE2": 109.241529617361, - "CE2_CD2_CE3": 118.308846380618, - "CG_CD1_NE1": 109.884945427063, - "CZ2_CH2": 1.35887232636595, - "NE1_CE2_CD2": 107.398168286152, - "CD2_CE2_CZ2": 122.699817175117, - "CB_CG_CD2": 126.695732803422, - "CB_CG_CD1": 127.25340820466, - "CG_CD2_CE2": 107.414220220714, - "CD2_CE3": 1.40008166305632, - "CD2_CE2": 1.40525894642913, - "CH2_CZ3": 1.38665259370598, - "CZ3_CE3": 1.40974459828091 - } -}, -{ - "pk": 12, - "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.454151869515, "CG_CD2": 1.4279040308154, @@ -53445,40 +43813,7 @@ } }, { - "pk": 13, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.177316204432, - "CG_CD2": 1.42403524132061, - "CE2_CZ2": 1.39256031493944, - "CE3_CZ3_CH2": 121.261157550222, - "CG_CD2_CE3": 134.154472937073, - "CE2_CZ2_CH2": 117.420052780947, - "CA_CB_CG": 112.963087821833, - "CZ2_CH2_CZ3": 121.544304891148, - "CD1_NE1": 1.37399450820211, - "CB_CG": 1.50267719768375, - "CG_CD1": 1.37363725929207, - "CD2_CE3_CZ3": 118.534652284155, - "NE1_CE2_CZ2": 129.901402241161, - "NE1_CE2": 1.36901523324719, - "CD1_NE1_CE2": 108.855120078075, - "CE2_CD2_CE3": 118.468855779529, - "CG_CD1_NE1": 110.23965548068, - "CZ2_CH2": 1.36266953770846, - "NE1_CE2_CD2": 107.344729445756, - "CD2_CE2_CZ2": 122.732464424083, - "CB_CG_CD2": 126.761488271652, - "CB_CG_CD1": 127.060073316927, - "CG_CD2_CE2": 107.37665235384, - "CD2_CE3": 1.39772008348946, - "CD2_CE2": 1.41997130048673, - "CH2_CZ3": 1.40457259391262, - "CZ3_CE3": 1.39161161809182 - } -}, -{ - "pk": 14, + "pk": 6, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.233244794018, @@ -53511,7 +43846,7 @@ } }, { - "pk": 15, + "pk": 7, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.137239881755, @@ -53544,337 +43879,7 @@ } }, { - "pk": 16, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.54542006654, - "CG_CD2": 1.42025413865479, - "CE2_CZ2": 1.37932639111722, - "CE3_CZ3_CH2": 120.960771381749, - "CG_CD2_CE3": 134.20195627129, - "CE2_CZ2_CH2": 117.537910401314, - "CA_CB_CG": 110.150527684613, - "CZ2_CH2_CZ3": 121.368575502755, - "CD1_NE1": 1.3713909785518, - "CB_CG": 1.46651305740044, - "CG_CD1": 1.35731984289897, - "CD2_CE3_CZ3": 118.817115187518, - "NE1_CE2_CZ2": 129.960377400219, - "NE1_CE2": 1.36890355713016, - "CD1_NE1_CE2": 108.558818190773, - "CE2_CD2_CE3": 118.606427585073, - "CG_CD1_NE1": 110.367292245177, - "CZ2_CH2": 1.3744566062603, - "NE1_CE2_CD2": 107.328569723926, - "CD2_CE2_CZ2": 122.707342191439, - "CB_CG_CD2": 126.787811738226, - "CB_CG_CD1": 126.588479033601, - "CG_CD2_CE2": 107.191161488726, - "CD2_CE3": 1.3957541843565, - "CD2_CE2": 1.41210792628885, - "CH2_CZ3": 1.39793042725836, - "CZ3_CE3": 1.38594588783995 - } -}, -{ - "pk": 17, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 105.947447171102, - "CG_CD2": 1.44191155211351, - "CE2_CZ2": 1.38827487592506, - "CE3_CZ3_CH2": 120.90823517355, - "CG_CD2_CE3": 134.337657483102, - "CE2_CZ2_CH2": 117.640290522548, - "CA_CB_CG": 115.360465384098, - "CZ2_CH2_CZ3": 121.658390163167, - "CD1_NE1": 1.37601690070938, - "CB_CG": 1.51520274319139, - "CG_CD1": 1.37553388846091, - "CD2_CE3_CZ3": 118.961938088111, - "NE1_CE2_CZ2": 129.97084522291, - "NE1_CE2": 1.3739273379756, - "CD1_NE1_CE2": 109.103547477886, - "CE2_CD2_CE3": 118.308923053581, - "CG_CD1_NE1": 110.089520224438, - "CZ2_CH2": 1.37196483486924, - "NE1_CE2_CD2": 107.524950276569, - "CD2_CE2_CZ2": 122.504203662896, - "CB_CG_CD2": 127.330676322045, - "CB_CG_CD1": 126.627134653612, - "CG_CD2_CE2": 107.318741618904, - "CD2_CE3": 1.39893393933671, - "CD2_CE2": 1.41105285287177, - "CH2_CZ3": 1.38456344504548, - "CZ3_CE3": 1.39423543780102 - } -}, -{ - "pk": 18, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.042718077823, - "CG_CD2": 1.43407530614607, - "CE2_CZ2": 1.39771769986039, - "CE3_CZ3_CH2": 121.447341395287, - "CG_CD2_CE3": 134.083405584901, - "CE2_CZ2_CH2": 117.046710591091, - "CA_CB_CG": 113.991551522333, - "CZ2_CH2_CZ3": 121.458218401325, - "CD1_NE1": 1.37155894019922, - "CB_CG": 1.53329373934115, - "CG_CD1": 1.36489823056174, - "CD2_CE3_CZ3": 119.24307525394, - "NE1_CE2_CZ2": 130.126442375727, - "NE1_CE2": 1.37148920026266, - "CD1_NE1_CE2": 108.998124609182, - "CE2_CD2_CE3": 118.340197354936, - "CG_CD1_NE1": 109.965087309959, - "CZ2_CH2": 1.36187177911359, - "NE1_CE2_CD2": 107.402714820256, - "CD2_CE2_CZ2": 122.454045740473, - "CB_CG_CD2": 127.090274042469, - "CB_CG_CD1": 126.864943307643, - "CG_CD2_CE2": 107.565795103546, - "CD2_CE3": 1.3968829067507, - "CD2_CE2": 1.39702051205669, - "CH2_CZ3": 1.39115049802503, - "CZ3_CE3": 1.3585461103665 - } -}, -{ - "pk": 19, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.646275039804, - "CG_CD2": 1.43183416130521, - "CE2_CZ2": 1.39140223989065, - "CE3_CZ3_CH2": 120.811374295071, - "CG_CD2_CE3": 134.152483719275, - "CE2_CZ2_CH2": 117.591374863524, - "CA_CB_CG": 116.373776588934, - "CZ2_CH2_CZ3": 121.562681116592, - "CD1_NE1": 1.37703901293747, - "CB_CG": 1.46923754718625, - "CG_CD1": 1.35741055776545, - "CD2_CE3_CZ3": 118.835907028267, - "NE1_CE2_CZ2": 130.153999686974, - "NE1_CE2": 1.37442411341348, - "CD1_NE1_CE2": 108.967225782166, - "CE2_CD2_CE3": 118.524832347104, - "CG_CD1_NE1": 109.89764449958, - "CZ2_CH2": 1.37596649539757, - "NE1_CE2_CD2": 107.171070771176, - "CD2_CE2_CZ2": 122.668040473986, - "CB_CG_CD2": 126.643169614467, - "CB_CG_CD1": 126.679829369708, - "CG_CD2_CE2": 107.314008735261, - "CD2_CE3": 1.40673651944649, - "CD2_CE2": 1.40599470735019, - "CH2_CZ3": 1.39476209083084, - "CZ3_CE3": 1.39479797891229 - } -}, -{ - "pk": 20, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.276897318783, - "CG_CD2": 1.43558866779122, - "CE2_CZ2": 1.40194484947091, - "CE3_CZ3_CH2": 120.904096343508, - "CG_CD2_CE3": 134.164618305758, - "CE2_CZ2_CH2": 117.159784917002, - "CA_CB_CG": 112.549933235054, - "CZ2_CH2_CZ3": 121.339906143871, - "CD1_NE1": 1.3739674604059, - "CB_CG": 1.46215997301923, - "CG_CD1": 1.36574832673946, - "CD2_CE3_CZ3": 119.335543042602, - "NE1_CE2_CZ2": 130.028945194553, - "NE1_CE2": 1.37135498208406, - "CD1_NE1_CE2": 109.06843623324, - "CE2_CD2_CE3": 118.633005550604, - "CG_CD1_NE1": 110.087278326026, - "CZ2_CH2": 1.37662816146206, - "NE1_CE2_CD2": 107.342876326925, - "CD2_CE2_CZ2": 122.618908138903, - "CB_CG_CD2": 127.240628564062, - "CB_CG_CD1": 126.393472366033, - "CG_CD2_CE2": 107.19747877645, - "CD2_CE3": 1.40242947124531, - "CD2_CE2": 1.41105759207192, - "CH2_CZ3": 1.41611495028057, - "CZ3_CE3": 1.37681440681782 - } -}, -{ - "pk": 21, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.227322203987, - "CG_CD2": 1.41757343120166, - "CE2_CZ2": 1.38471956491943, - "CE3_CZ3_CH2": 121.390813707701, - "CG_CD2_CE3": 134.084387466189, - "CE2_CZ2_CH2": 117.650420530344, - "CA_CB_CG": 115.876048526702, - "CZ2_CH2_CZ3": 121.353165673126, - "CD1_NE1": 1.37081561271583, - "CB_CG": 1.50996970129455, - "CG_CD1": 1.37855438467208, - "CD2_CE3_CZ3": 118.808292281868, - "NE1_CE2_CZ2": 130.068050540415, - "NE1_CE2": 1.36996650251664, - "CD1_NE1_CE2": 108.76704195499, - "CE2_CD2_CE3": 118.355519769851, - "CG_CD1_NE1": 109.925517080361, - "CZ2_CH2": 1.37276174931317, - "NE1_CE2_CD2": 107.533794398516, - "CD2_CE2_CZ2": 122.394024263554, - "CB_CG_CD2": 126.947735014389, - "CB_CG_CD1": 126.786658833219, - "CG_CD2_CE2": 107.53272552201, - "CD2_CE3": 1.39725158190257, - "CD2_CE2": 1.41086738654827, - "CH2_CZ3": 1.38166110827773, - "CZ3_CE3": 1.38430756613294 - } -}, -{ - "pk": 22, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.426931122331, - "CG_CD2": 1.42936376135668, - "CE2_CZ2": 1.40667741504771, - "CE3_CZ3_CH2": 120.861309374892, - "CG_CD2_CE3": 134.043192059614, - "CE2_CZ2_CH2": 117.717055186231, - "CA_CB_CG": 111.223052779155, - "CZ2_CH2_CZ3": 121.332893031253, - "CD1_NE1": 1.37410686996014, - "CB_CG": 1.49134821180922, - "CG_CD1": 1.3581116312794, - "CD2_CE3_CZ3": 118.774945247883, - "NE1_CE2_CZ2": 130.191454542277, - "NE1_CE2": 1.37026447277721, - "CD1_NE1_CE2": 108.963054951231, - "CE2_CD2_CE3": 118.63026362837, - "CG_CD1_NE1": 110.152749335913, - "CZ2_CH2": 1.36586961697221, - "NE1_CE2_CD2": 107.125750958167, - "CD2_CE2_CZ2": 122.678210321949, - "CB_CG_CD2": 126.834906555281, - "CB_CG_CD1": 126.604143284977, - "CG_CD2_CE2": 107.297881175499, - "CD2_CE3": 1.39324967603559, - "CD2_CE2": 1.41094030292652, - "CH2_CZ3": 1.40247829066131, - "CZ3_CE3": 1.4136620635657 - } -}, -{ - "pk": 23, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.36593494729, - "CG_CD2": 1.42228453881915, - "CE2_CZ2": 1.40184444205269, - "CE3_CZ3_CH2": 121.381391054495, - "CG_CD2_CE3": 133.427396920696, - "CE2_CZ2_CH2": 116.973499682006, - "CA_CB_CG": 117.170156647964, - "CZ2_CH2_CZ3": 121.124093234201, - "CD1_NE1": 1.38048761062612, - "CB_CG": 1.47998836271864, - "CG_CD1": 1.36152643060373, - "CD2_CE3_CZ3": 118.676016812758, - "NE1_CE2_CZ2": 129.835221667051, - "NE1_CE2": 1.36524797152141, - "CD1_NE1_CE2": 108.83888457012, - "CE2_CD2_CE3": 118.92066383685, - "CG_CD1_NE1": 109.892394414805, - "CZ2_CH2": 1.37308858059316, - "NE1_CE2_CD2": 107.250026414173, - "CD2_CE2_CZ2": 122.913137675924, - "CB_CG_CD2": 125.438114799006, - "CB_CG_CD1": 128.180656229652, - "CG_CD2_CE2": 107.650891454415, - "CD2_CE3": 1.39115859039066, - "CD2_CE2": 1.40796069656602, - "CH2_CZ3": 1.41016194406893, - "CZ3_CE3": 1.38807237444432 - } -}, -{ - "pk": 24, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.361146380395, - "CG_CD2": 1.42245469166007, - "CE2_CZ2": 1.40447028838489, - "CE3_CZ3_CH2": 121.378553030121, - "CG_CD2_CE3": 133.681727786912, - "CE2_CZ2_CH2": 116.92833277091, - "CA_CB_CG": 112.575520099279, - "CZ2_CH2_CZ3": 121.607545826737, - "CD1_NE1": 1.37809700021859, - "CB_CG": 1.49993870356437, - "CG_CD1": 1.37454343236671, - "CD2_CE3_CZ3": 119.024395990652, - "NE1_CE2_CZ2": 130.264077868187, - "NE1_CE2": 1.37227669767322, - "CD1_NE1_CE2": 108.735750337235, - "CE2_CD2_CE3": 118.780849464691, - "CG_CD1_NE1": 109.913330053122, - "CZ2_CH2": 1.38296928971905, - "NE1_CE2_CD2": 107.457615826528, - "CD2_CE2_CZ2": 122.268365349882, - "CB_CG_CD2": 125.693167079703, - "CB_CG_CD1": 127.943705049614, - "CG_CD2_CE2": 107.528878540556, - "CD2_CE3": 1.40870946518593, - "CD2_CE2": 1.41299077640723, - "CH2_CZ3": 1.40243325659252, - "CZ3_CE3": 1.37141080696962 - } -}, -{ - "pk": 25, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.627531996008, - "CG_CD2": 1.42166279827089, - "CE2_CZ2": 1.39335486222047, - "CE3_CZ3_CH2": 120.565515458469, - "CG_CD2_CE3": 133.924415541487, - "CE2_CZ2_CH2": 117.998277545393, - "CA_CB_CG": 118.136764098618, - "CZ2_CH2_CZ3": 121.414273060969, - "CD1_NE1": 1.3737681552171, - "CB_CG": 1.489985544941, - "CG_CD1": 1.35850661041959, - "CD2_CE3_CZ3": 118.95241414893, - "NE1_CE2_CZ2": 130.391978527227, - "NE1_CE2": 1.3707379752818, - "CD1_NE1_CE2": 108.801464317792, - "CE2_CD2_CE3": 118.666668787098, - "CG_CD1_NE1": 109.960137749171, - "CZ2_CH2": 1.36386971219196, - "NE1_CE2_CD2": 107.19383773052, - "CD2_CE2_CZ2": 122.398250024324, - "CB_CG_CD2": 124.838038097097, - "CB_CG_CD1": 128.531413226276, - "CG_CD2_CE2": 107.408374687978, - "CD2_CE3": 1.39742384647935, - "CD2_CE2": 1.40651306874129, - "CH2_CZ3": 1.40191982885, - "CZ3_CE3": 1.39784465316348 - } -}, -{ - "pk": 26, + "pk": 8, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.391447171183, @@ -53907,172 +43912,7 @@ } }, { - "pk": 27, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.355327121306, - "CG_CD2": 1.42232746955444, - "CE2_CZ2": 1.39000815173335, - "CE3_CZ3_CH2": 120.813151790368, - "CG_CD2_CE3": 133.798876656674, - "CE2_CZ2_CH2": 118.120844218951, - "CA_CB_CG": 113.662751492857, - "CZ2_CH2_CZ3": 121.306852805734, - "CD1_NE1": 1.3799478290333, - "CB_CG": 1.50550792648612, - "CG_CD1": 1.37426059158571, - "CD2_CE3_CZ3": 118.909509687435, - "NE1_CE2_CZ2": 130.285538054566, - "NE1_CE2": 1.37857080470784, - "CD1_NE1_CE2": 108.326006483554, - "CE2_CD2_CE3": 118.649103404379, - "CG_CD1_NE1": 110.247243708431, - "CZ2_CH2": 1.37674194352148, - "NE1_CE2_CD2": 107.519288509867, - "CD2_CE2_CZ2": 122.195060486221, - "CB_CG_CD2": 125.879392029795, - "CB_CG_CD1": 127.75829236364, - "CG_CD2_CE2": 107.550690795284, - "CD2_CE3": 1.40884674877372, - "CD2_CE2": 1.41525043308363, - "CH2_CZ3": 1.40286827944502, - "CZ3_CE3": 1.3931477635671 - } -}, -{ - "pk": 28, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.513476765465, - "CG_CD2": 1.42068650776792, - "CE2_CZ2": 1.40713118450705, - "CE3_CZ3_CH2": 120.425144393792, - "CG_CD2_CE3": 133.62090540422, - "CE2_CZ2_CH2": 117.693890087141, - "CA_CB_CG": 108.310162610177, - "CZ2_CH2_CZ3": 121.429075982371, - "CD1_NE1": 1.37758334695094, - "CB_CG": 1.51186338881354, - "CG_CD1": 1.36892324962352, - "CD2_CE3_CZ3": 118.865836554091, - "NE1_CE2_CZ2": 130.190465034294, - "NE1_CE2": 1.36954442485127, - "CD1_NE1_CE2": 109.041581965906, - "CE2_CD2_CE3": 118.840117706827, - "CG_CD1_NE1": 109.834467856914, - "CZ2_CH2": 1.37035089108683, - "NE1_CE2_CD2": 107.073236806607, - "CD2_CE2_CZ2": 122.731611107293, - "CB_CG_CD2": 125.457080652673, - "CB_CG_CD1": 127.937418075419, - "CG_CD2_CE2": 107.536193968398, - "CD2_CE3": 1.39422991938885, - "CD2_CE2": 1.41691666313409, - "CH2_CZ3": 1.41654095479584, - "CZ3_CE3": 1.41982427388855 - } -}, -{ - "pk": 29, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.252109643583, - "CG_CD2": 1.43328959614279, - "CE2_CZ2": 1.39611298209818, - "CE3_CZ3_CH2": 121.563609330511, - "CG_CD2_CE3": 134.103729828243, - "CE2_CZ2_CH2": 117.303249509201, - "CA_CB_CG": 115.748125473653, - "CZ2_CH2_CZ3": 121.265053222205, - "CD1_NE1": 1.38033550967684, - "CB_CG": 1.53119874508159, - "CG_CD1": 1.36879719137363, - "CD2_CE3_CZ3": 119.034705161813, - "NE1_CE2_CZ2": 130.130278394439, - "NE1_CE2": 1.37388525672314, - "CD1_NE1_CE2": 108.873866019747, - "CE2_CD2_CE3": 118.360175991636, - "CG_CD1_NE1": 109.935049763811, - "CZ2_CH2": 1.3595433365938, - "NE1_CE2_CD2": 107.397092687169, - "CD2_CE2_CZ2": 122.468628379005, - "CB_CG_CD2": 126.693088191129, - "CB_CG_CD1": 127.049700098179, - "CG_CD2_CE2": 107.518216186124, - "CD2_CE3": 1.39966183443197, - "CD2_CE2": 1.40816443766467, - "CH2_CZ3": 1.4051562471119, - "CZ3_CE3": 1.36082522185924 - } -}, -{ - "pk": 30, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 105.836651696095, - "CG_CD2": 1.44005815226494, - "CE2_CZ2": 1.3950198876867, - "CE3_CZ3_CH2": 120.554196283731, - "CG_CD2_CE3": 134.083075114035, - "CE2_CZ2_CH2": 117.818468257257, - "CA_CB_CG": 119.537057639808, - "CZ2_CH2_CZ3": 121.446315629904, - "CD1_NE1": 1.37082727927232, - "CB_CG": 1.53817383016242, - "CG_CD1": 1.36790075140776, - "CD2_CE3_CZ3": 118.904112839054, - "NE1_CE2_CZ2": 129.965039315858, - "NE1_CE2": 1.37153560217118, - "CD1_NE1_CE2": 109.004176153982, - "CE2_CD2_CE3": 118.633017293332, - "CG_CD1_NE1": 110.426447443346, - "CZ2_CH2": 1.36802350578766, - "NE1_CE2_CD2": 107.419251313649, - "CD2_CE2_CZ2": 122.615168496833, - "CB_CG_CD2": 127.598563643176, - "CB_CG_CD1": 126.314840825472, - "CG_CD2_CE2": 107.283541238395, - "CD2_CE3": 1.39139159663966, - "CD2_CE2": 1.40950849716651, - "CH2_CZ3": 1.39740076538374, - "CZ3_CE3": 1.41047539934421 - } -}, -{ - "pk": 31, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 105.957661035918, - "CG_CD2": 1.43254024804728, - "CE2_CZ2": 1.39389842470327, - "CE3_CZ3_CH2": 121.289771741447, - "CG_CD2_CE3": 134.230966525374, - "CE2_CZ2_CH2": 117.706096532862, - "CA_CB_CG": 117.278808877316, - "CZ2_CH2_CZ3": 121.429146791833, - "CD1_NE1": 1.3781378335401, - "CB_CG": 1.51836395570837, - "CG_CD1": 1.37004367393633, - "CD2_CE3_CZ3": 118.566420342388, - "NE1_CE2_CZ2": 130.14353769577, - "NE1_CE2": 1.37032890723357, - "CD1_NE1_CE2": 108.881745101766, - "CE2_CD2_CE3": 118.33930837459, - "CG_CD1_NE1": 110.53711467278, - "CZ2_CH2": 1.35787903447631, - "NE1_CE2_CD2": 107.197254992516, - "CD2_CE2_CZ2": 122.653268061282, - "CB_CG_CD2": 127.05895120774, - "CB_CG_CD1": 126.899185473014, - "CG_CD2_CE2": 107.426125139959, - "CD2_CE3": 1.39120157936867, - "CD2_CE2": 1.42364282747077, - "CH2_CZ3": 1.40100616848716, - "CZ3_CE3": 1.40049711118095 - } -}, -{ - "pk": 32, + "pk": 9, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.401817066691, @@ -54105,40 +43945,7 @@ } }, { - "pk": 33, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.321788823483, - "CG_CD2": 1.43474231922357, - "CE2_CZ2": 1.39915014229061, - "CE3_CZ3_CH2": 121.209851895919, - "CG_CD2_CE3": 134.22361550843, - "CE2_CZ2_CH2": 117.348400573374, - "CA_CB_CG": 114.119446013007, - "CZ2_CH2_CZ3": 121.365646036385, - "CD1_NE1": 1.37762968214116, - "CB_CG": 1.49546528499748, - "CG_CD1": 1.360586608993, - "CD2_CE3_CZ3": 118.981255913191, - "NE1_CE2_CZ2": 130.091190712415, - "NE1_CE2": 1.36833508533055, - "CD1_NE1_CE2": 109.137107267554, - "CE2_CD2_CE3": 118.426573323887, - "CG_CD1_NE1": 109.950990216654, - "CZ2_CH2": 1.36875732558909, - "NE1_CE2_CD2": 107.210501863536, - "CD2_CE2_CZ2": 122.658906651085, - "CB_CG_CD2": 126.883922071761, - "CB_CG_CD1": 126.794251096591, - "CG_CD2_CE2": 107.341864389484, - "CD2_CE3": 1.39772223547315, - "CD2_CE2": 1.40854011975883, - "CH2_CZ3": 1.39871868576985, - "CZ3_CE3": 1.38617116488308 - } -}, -{ - "pk": 34, + "pk": 10, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.03886826301, @@ -54171,40 +43978,7 @@ } }, { - "pk": 35, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.40971087286, - "CG_CD2": 1.42987216053102, - "CE2_CZ2": 1.39659175662918, - "CE3_CZ3_CH2": 121.20755564001, - "CG_CD2_CE3": 134.114836682707, - "CE2_CZ2_CH2": 117.379771637982, - "CA_CB_CG": 111.895870942089, - "CZ2_CH2_CZ3": 121.380507783491, - "CD1_NE1": 1.37717140672333, - "CB_CG": 1.48316257361328, - "CG_CD1": 1.36257995066264, - "CD2_CE3_CZ3": 118.882816259054, - "NE1_CE2_CZ2": 130.080765884357, - "NE1_CE2": 1.3726144667017, - "CD1_NE1_CE2": 108.641866368096, - "CE2_CD2_CE3": 118.622722523057, - "CG_CD1_NE1": 110.267531996986, - "CZ2_CH2": 1.36819943829152, - "NE1_CE2_CD2": 107.439879648218, - "CD2_CE2_CZ2": 122.478887222531, - "CB_CG_CD2": 126.66147128357, - "CB_CG_CD1": 126.895027481735, - "CG_CD2_CE2": 107.230201843549, - "CD2_CE3": 1.40155839580393, - "CD2_CE2": 1.41229782139564, - "CH2_CZ3": 1.40796812368929, - "CZ3_CE3": 1.37756767976649 - } -}, -{ - "pk": 36, + "pk": 11, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.3554346234, @@ -54237,40 +44011,7 @@ } }, { - "pk": 37, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.473224371801, - "CG_CD2": 1.43202727043914, - "CE2_CZ2": 1.40073370818331, - "CE3_CZ3_CH2": 120.719958958889, - "CG_CD2_CE3": 134.119369992071, - "CE2_CZ2_CH2": 118.177490432265, - "CA_CB_CG": 113.449118431987, - "CZ2_CH2_CZ3": 121.227525347446, - "CD1_NE1": 1.38277748900859, - "CB_CG": 1.52425957638308, - "CG_CD1": 1.36813644918558, - "CD2_CE3_CZ3": 119.046446017559, - "NE1_CE2_CZ2": 130.589099554561, - "NE1_CE2": 1.37655743440008, - "CD1_NE1_CE2": 108.895888858762, - "CE2_CD2_CE3": 118.502190525444, - "CG_CD1_NE1": 110.124815716709, - "CZ2_CH2": 1.37582946298809, - "NE1_CE2_CD2": 107.120509702449, - "CD2_CE2_CZ2": 122.285462396512, - "CB_CG_CD2": 126.139431226782, - "CB_CG_CD1": 127.375481289985, - "CG_CD2_CE2": 107.374422303224, - "CD2_CE3": 1.40683854458089, - "CD2_CE2": 1.42166468158646, - "CH2_CZ3": 1.40927564762827, - "CZ3_CE3": 1.40647011333552 - } -}, -{ - "pk": 38, + "pk": 12, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.263923548879, @@ -54303,205 +44044,7 @@ } }, { - "pk": 39, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.344506823902, - "CG_CD2": 1.41289092138963, - "CE2_CZ2": 1.39906188546553, - "CE3_CZ3_CH2": 121.3590411495, - "CG_CD2_CE3": 133.920796886079, - "CE2_CZ2_CH2": 117.33660208326, - "CA_CB_CG": 113.926589229531, - "CZ2_CH2_CZ3": 121.210406944485, - "CD1_NE1": 1.37608252985843, - "CB_CG": 1.48097233237347, - "CG_CD1": 1.37732573020562, - "CD2_CE3_CZ3": 118.861502182508, - "NE1_CE2_CZ2": 129.774463860529, - "NE1_CE2": 1.36903790574211, - "CD1_NE1_CE2": 108.46431450766, - "CE2_CD2_CE3": 118.557203452902, - "CG_CD1_NE1": 110.097478735671, - "CZ2_CH2": 1.36577848992338, - "NE1_CE2_CD2": 107.577257388542, - "CD2_CE2_CZ2": 122.647247532276, - "CB_CG_CD2": 126.334820893274, - "CB_CG_CD1": 127.295675122457, - "CG_CD2_CE2": 107.51212613062, - "CD2_CE3": 1.406386700256, - "CD2_CE2": 1.41779452273487, - "CH2_CZ3": 1.42439805347231, - "CZ3_CE3": 1.3708568428503 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 105.822086383879, - "CG_CD2": 1.4391562123079, - "CE2_CZ2": 1.40659660846755, - "CE3_CZ3_CH2": 121.418144712534, - "CG_CD2_CE3": 134.303943795211, - "CE2_CZ2_CH2": 117.487237742518, - "CA_CB_CG": 115.151639002452, - "CZ2_CH2_CZ3": 121.257801250288, - "CD1_NE1": 1.37416525957205, - "CB_CG": 1.51280250846382, - "CG_CD1": 1.37665953890401, - "CD2_CE3_CZ3": 119.141917795523, - "NE1_CE2_CZ2": 130.099132767512, - "NE1_CE2": 1.37298757631315, - "CD1_NE1_CE2": 109.122760697925, - "CE2_CD2_CE3": 118.228049821916, - "CG_CD1_NE1": 110.141855659214, - "CZ2_CH2": 1.36555849121198, - "NE1_CE2_CD2": 107.437075459238, - "CD2_CE2_CZ2": 122.448992008244, - "CB_CG_CD2": 127.553564811259, - "CB_CG_CD1": 126.619653923418, - "CG_CD2_CE2": 107.467791145754, - "CD2_CE3": 1.39722162179946, - "CD2_CE2": 1.41089890768536, - "CH2_CZ3": 1.39560038388157, - "CZ3_CE3": 1.38592641683097 - } -}, -{ - "pk": 41, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.65080463444, - "CG_CD2": 1.42008784212176, - "CE2_CZ2": 1.3783722328312, - "CE3_CZ3_CH2": 120.875974654974, - "CG_CD2_CE3": 134.015424421429, - "CE2_CZ2_CH2": 117.869385863029, - "CA_CB_CG": 112.382274019937, - "CZ2_CH2_CZ3": 121.512101289717, - "CD1_NE1": 1.37409801025479, - "CB_CG": 1.48077539309315, - "CG_CD1": 1.35610227831085, - "CD2_CE3_CZ3": 118.473726466637, - "NE1_CE2_CZ2": 130.143587453292, - "NE1_CE2": 1.37111222346178, - "CD1_NE1_CE2": 108.592422725815, - "CE2_CD2_CE3": 118.621099163854, - "CG_CD1_NE1": 110.175705596416, - "CZ2_CH2": 1.36806186978467, - "NE1_CE2_CD2": 107.227607095508, - "CD2_CE2_CZ2": 122.620772814561, - "CB_CG_CD2": 126.422014946097, - "CB_CG_CD1": 126.896809793582, - "CG_CD2_CE2": 107.349173127705, - "CD2_CE3": 1.40601526564817, - "CD2_CE2": 1.4088242359332, - "CH2_CZ3": 1.39844980916841, - "CZ3_CE3": 1.38908742768254 - } -}, -{ - "pk": 42, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 105.994698720452, - "CG_CD2": 1.44413084630361, - "CE2_CZ2": 1.40129080239433, - "CE3_CZ3_CH2": 120.836484113798, - "CG_CD2_CE3": 134.205860772395, - "CE2_CZ2_CH2": 117.716381134149, - "CA_CB_CG": 114.027344827066, - "CZ2_CH2_CZ3": 121.276755636315, - "CD1_NE1": 1.37912765385728, - "CB_CG": 1.49480518810547, - "CG_CD1": 1.36417475216967, - "CD2_CE3_CZ3": 118.88313766805, - "NE1_CE2_CZ2": 130.07136006624, - "NE1_CE2": 1.37052056336076, - "CD1_NE1_CE2": 109.293242006924, - "CE2_CD2_CE3": 118.446238790219, - "CG_CD1_NE1": 110.256031475529, - "CZ2_CH2": 1.36424975941726, - "NE1_CE2_CD2": 107.101384691393, - "CD2_CE2_CZ2": 122.822159776505, - "CB_CG_CD2": 126.994206541976, - "CB_CG_CD1": 126.997102114092, - "CG_CD2_CE2": 107.347866184787, - "CD2_CE3": 1.40190422727955, - "CD2_CE2": 1.41596897962012, - "CH2_CZ3": 1.41789482287469, - "CZ3_CE3": 1.39920973849692 - } -}, -{ - "pk": 43, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.35919548924, - "CG_CD2": 1.42379925848459, - "CE2_CZ2": 1.38756389492024, - "CE3_CZ3_CH2": 120.690981477351, - "CG_CD2_CE3": 133.913534947171, - "CE2_CZ2_CH2": 117.498311309545, - "CA_CB_CG": 109.992256052585, - "CZ2_CH2_CZ3": 121.6732248153, - "CD1_NE1": 1.3809422996127, - "CB_CG": 1.51504208372486, - "CG_CD1": 1.35343266583232, - "CD2_CE3_CZ3": 119.048220805123, - "NE1_CE2_CZ2": 130.258195517074, - "NE1_CE2": 1.36508211684504, - "CD1_NE1_CE2": 108.614073212648, - "CE2_CD2_CE3": 118.539050424038, - "CG_CD1_NE1": 110.294120481015, - "CZ2_CH2": 1.37866329499315, - "NE1_CE2_CD2": 107.20236447791, - "CD2_CE2_CZ2": 122.536415568365, - "CB_CG_CD2": 125.962577480946, - "CB_CG_CD1": 127.607109902987, - "CG_CD2_CE2": 107.508860095303, - "CD2_CE3": 1.40592977773422, - "CD2_CE2": 1.41121149949324, - "CH2_CZ3": 1.39811748419963, - "CZ3_CE3": 1.38691874436287 - } -}, -{ - "pk": 44, - "model": "pgd_core.sidechain_trp", - "fields": { - "CD2_CG_CD1": 106.440942767029, - "CG_CD2": 1.4361333788319, - "CE2_CZ2": 1.40644840058284, - "CE3_CZ3_CH2": 120.818167896231, - "CG_CD2_CE3": 133.799933967789, - "CE2_CZ2_CH2": 117.546019385252, - "CA_CB_CG": 116.446593420732, - "CZ2_CH2_CZ3": 121.471446243883, - "CD1_NE1": 1.37492025287819, - "CB_CG": 1.47401846699427, - "CG_CD1": 1.36199794807295, - "CD2_CE3_CZ3": 119.076415323939, - "NE1_CE2_CZ2": 130.499485546042, - "NE1_CE2": 1.37358055208224, - "CD1_NE1_CE2": 109.279420274093, - "CE2_CD2_CE3": 118.763785046439, - "CG_CD1_NE1": 109.646454796384, - "CZ2_CH2": 1.37963073239107, - "NE1_CE2_CD2": 107.181376403404, - "CD2_CE2_CZ2": 122.312754212365, - "CB_CG_CD2": 125.568501531427, - "CB_CG_CD1": 127.969827526339, - "CG_CD2_CE2": 107.427133980758, - "CD2_CE3": 1.41645185549428, - "CD2_CE2": 1.40025511145356, - "CH2_CZ3": 1.40404440532474, - "CZ3_CE3": 1.38529228724907 - } -}, -{ - "pk": 45, + "pk": 13, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.103387703461, @@ -54534,7 +44077,7 @@ } }, { - "pk": 46, + "pk": 14, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.402907903524, @@ -54567,7 +44110,7 @@ } }, { - "pk": 47, + "pk": 15, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.179529224908, @@ -54600,7 +44143,7 @@ } }, { - "pk": 48, + "pk": 16, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.205863632821, @@ -54633,7 +44176,7 @@ } }, { - "pk": 49, + "pk": 17, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.465724496433, @@ -54666,7 +44209,7 @@ } }, { - "pk": 50, + "pk": 18, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.409409543364, @@ -54699,7 +44242,7 @@ } }, { - "pk": 51, + "pk": 19, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.057963698285, @@ -54732,7 +44275,7 @@ } }, { - "pk": 52, + "pk": 20, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.437145277355, @@ -54765,7 +44308,7 @@ } }, { - "pk": 53, + "pk": 21, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.347294700969, @@ -54798,7 +44341,7 @@ } }, { - "pk": 54, + "pk": 22, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 105.609085912655, @@ -54831,7 +44374,7 @@ } }, { - "pk": 55, + "pk": 23, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.298868495336, @@ -54864,7 +44407,7 @@ } }, { - "pk": 56, + "pk": 24, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.304475665999, @@ -54897,7 +44440,7 @@ } }, { - "pk": 57, + "pk": 25, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 105.788678747231, @@ -54930,7 +44473,7 @@ } }, { - "pk": 58, + "pk": 26, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.221853610115, @@ -54963,7 +44506,7 @@ } }, { - "pk": 59, + "pk": 27, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.086428111494, @@ -54996,7 +44539,7 @@ } }, { - "pk": 60, + "pk": 28, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.148620340259, @@ -55029,7 +44572,7 @@ } }, { - "pk": 61, + "pk": 29, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.137283708963, @@ -55062,7 +44605,7 @@ } }, { - "pk": 62, + "pk": 30, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.380184614707, @@ -55095,7 +44638,7 @@ } }, { - "pk": 63, + "pk": 31, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.119655131912, @@ -55128,7 +44671,7 @@ } }, { - "pk": 64, + "pk": 32, "model": "pgd_core.sidechain_trp", "fields": { "CD2_CG_CD1": 106.448648152185, @@ -55214,55 +44757,30 @@ "pk": 3, "model": "pgd_core.sidechain_tyr", "fields": { - "CG_CD2": 1.38999445564759, - "CD1_CG_CD2": 116.632628264819, - "CG_CD1": 1.39190594479895, - "CB_CG": 1.52966729328518, - "CB_CG_CD2": 120.311297343137, - "CB_CG_CD1": 122.986765243675, - "CG_CD2_CE2": 121.903446193828, - "CD2_CE2": 1.38883940511081, - "CZ_CE2_CD2": 119.436436408723, - "CE1_CZ_CE2": 119.159138021018, - "CZ_CE1": 1.35821556178252, - "CZ_CE2": 1.37722530020604, - "CE1_CZ_OH": 121.81237617864, - "CE2_CZ_OH": 118.98869878086, - "CZ_OH": 1.38618799249179, - "CG_CD1_CE1": 121.078587409523, - "CD1_CE1": 1.36732565376782, - "CZ_CE1_CD1": 121.736051160561, - "CA_CB_CG": 116.162640035705 + "CG_CD2": 1.40756958989309, + "CD1_CG_CD2": 118.548167300007, + "CG_CD1": 1.39884548371365, + "CB_CG": 1.51031333257378, + "CB_CG_CD2": 120.509466502876, + "CB_CG_CD1": 120.851615344356, + "CG_CD2_CE2": 120.986534972719, + "CD2_CE2": 1.36007397382274, + "CZ_CE2_CD2": 119.367198970967, + "CE1_CZ_CE2": 121.538384996409, + "CZ_CE1": 1.38310754214965, + "CZ_CE2": 1.38620192520871, + "CE1_CZ_OH": 120.031973299688, + "CE2_CZ_OH": 118.41747515375, + "CZ_OH": 1.37374365050226, + "CG_CD1_CE1": 120.635674017169, + "CD1_CE1": 1.38307839239441, + "CZ_CE1_CD1": 118.911062654198, + "CA_CB_CG": 111.149756122821 } }, { "pk": 4, "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38201409182545, - "CD1_CG_CD2": 117.773523189823, - "CG_CD1": 1.39359145956411, - "CB_CG": 1.51313297224061, - "CB_CG_CD2": 118.400348242192, - "CB_CG_CD1": 123.80452384055, - "CG_CD2_CE2": 121.36651030028, - "CD2_CE2": 1.41018712255346, - "CZ_CE2_CD2": 119.374225702885, - "CE1_CZ_CE2": 119.08135389925, - "CZ_CE1": 1.35793304854471, - "CZ_CE2": 1.38483533832605, - "CE1_CZ_OH": 121.257376105277, - "CE2_CZ_OH": 119.661208036065, - "CZ_OH": 1.37218424444125, - "CG_CD1_CE1": 120.343984661633, - "CD1_CE1": 1.38404643304231, - "CZ_CE1_CD1": 122.045311063179, - "CA_CB_CG": 115.557809355895 - } -}, -{ - "pk": 5, - "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39617303756002, "CD1_CG_CD2": 118.097089232051, @@ -55285,6 +44803,31 @@ "CA_CB_CG": 113.403612304405 } }, +{ + "pk": 5, + "model": "pgd_core.sidechain_tyr", + "fields": { + "CG_CD2": 1.38680614691462, + "CD1_CG_CD2": 118.258260295125, + "CG_CD1": 1.37883562594913, + "CB_CG": 1.52794002351846, + "CB_CG_CD2": 121.148079986326, + "CB_CG_CD1": 120.549693065464, + "CG_CD2_CE2": 121.102405692126, + "CD2_CE2": 1.37924844811188, + "CZ_CE2_CD2": 119.30415071712, + "CE1_CZ_CE2": 120.124539568107, + "CZ_CE1": 1.35749577862611, + "CZ_CE2": 1.40406374424853, + "CE1_CZ_OH": 119.158916885808, + "CE2_CZ_OH": 120.713592180606, + "CZ_OH": 1.37517522049878, + "CG_CD1_CE1": 121.427953878104, + "CD1_CE1": 1.39096760978265, + "CZ_CE1_CD1": 119.747207097027, + "CA_CB_CG": 111.911619703352 + } +}, { "pk": 6, "model": "pgd_core.sidechain_tyr", @@ -55363,81 +44906,6 @@ { "pk": 9, "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.3910070733764, - "CD1_CG_CD2": 117.993573119517, - "CG_CD1": 1.39008580872154, - "CB_CG": 1.4957004303543, - "CB_CG_CD2": 121.194892709487, - "CB_CG_CD1": 119.656594241808, - "CG_CD2_CE2": 120.445989813023, - "CD2_CE2": 1.39207678601005, - "CZ_CE2_CD2": 119.191120314692, - "CE1_CZ_CE2": 121.016255717807, - "CZ_CE1": 1.36324382602197, - "CZ_CE2": 1.39226587170257, - "CE1_CZ_OH": 117.154141729564, - "CE2_CZ_OH": 121.762257277068, - "CZ_OH": 1.36304623176705, - "CG_CD1_CE1": 122.152071393893, - "CD1_CE1": 1.37185192091539, - "CZ_CE1_CD1": 119.166437198013, - "CA_CB_CG": 109.321607398013 - } -}, -{ - "pk": 10, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.40756958989309, - "CD1_CG_CD2": 118.548167300007, - "CG_CD1": 1.39884548371365, - "CB_CG": 1.51031333257378, - "CB_CG_CD2": 120.509466502876, - "CB_CG_CD1": 120.851615344356, - "CG_CD2_CE2": 120.986534972719, - "CD2_CE2": 1.36007397382274, - "CZ_CE2_CD2": 119.367198970967, - "CE1_CZ_CE2": 121.538384996409, - "CZ_CE1": 1.38310754214965, - "CZ_CE2": 1.38620192520871, - "CE1_CZ_OH": 120.031973299688, - "CE2_CZ_OH": 118.41747515375, - "CZ_OH": 1.37374365050226, - "CG_CD1_CE1": 120.635674017169, - "CD1_CE1": 1.38307839239441, - "CZ_CE1_CD1": 118.911062654198, - "CA_CB_CG": 111.149756122821 - } -}, -{ - "pk": 11, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38680614691462, - "CD1_CG_CD2": 118.258260295125, - "CG_CD1": 1.37883562594913, - "CB_CG": 1.52794002351846, - "CB_CG_CD2": 121.148079986326, - "CB_CG_CD1": 120.549693065464, - "CG_CD2_CE2": 121.102405692126, - "CD2_CE2": 1.37924844811188, - "CZ_CE2_CD2": 119.30415071712, - "CE1_CZ_CE2": 120.124539568107, - "CZ_CE1": 1.35749577862611, - "CZ_CE2": 1.40406374424853, - "CE1_CZ_OH": 119.158916885808, - "CE2_CZ_OH": 120.713592180606, - "CZ_OH": 1.37517522049878, - "CG_CD1_CE1": 121.427953878104, - "CD1_CE1": 1.39096760978265, - "CZ_CE1_CD1": 119.747207097027, - "CA_CB_CG": 111.911619703352 - } -}, -{ - "pk": 12, - "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40120364257249, "CD1_CG_CD2": 117.435155382397, @@ -55460,6 +44928,81 @@ "CA_CB_CG": 110.471618282155 } }, +{ + "pk": 10, + "model": "pgd_core.sidechain_tyr", + "fields": { + "CG_CD2": 1.38999445564759, + "CD1_CG_CD2": 116.632628264819, + "CG_CD1": 1.39190594479895, + "CB_CG": 1.52966729328518, + "CB_CG_CD2": 120.311297343137, + "CB_CG_CD1": 122.986765243675, + "CG_CD2_CE2": 121.903446193828, + "CD2_CE2": 1.38883940511081, + "CZ_CE2_CD2": 119.436436408723, + "CE1_CZ_CE2": 119.159138021018, + "CZ_CE1": 1.35821556178252, + "CZ_CE2": 1.37722530020604, + "CE1_CZ_OH": 121.81237617864, + "CE2_CZ_OH": 118.98869878086, + "CZ_OH": 1.38618799249179, + "CG_CD1_CE1": 121.078587409523, + "CD1_CE1": 1.36732565376782, + "CZ_CE1_CD1": 121.736051160561, + "CA_CB_CG": 116.162640035705 + } +}, +{ + "pk": 11, + "model": "pgd_core.sidechain_tyr", + "fields": { + "CG_CD2": 1.38201409182545, + "CD1_CG_CD2": 117.773523189823, + "CG_CD1": 1.39359145956411, + "CB_CG": 1.51313297224061, + "CB_CG_CD2": 118.400348242192, + "CB_CG_CD1": 123.80452384055, + "CG_CD2_CE2": 121.36651030028, + "CD2_CE2": 1.41018712255346, + "CZ_CE2_CD2": 119.374225702885, + "CE1_CZ_CE2": 119.08135389925, + "CZ_CE1": 1.35793304854471, + "CZ_CE2": 1.38483533832605, + "CE1_CZ_OH": 121.257376105277, + "CE2_CZ_OH": 119.661208036065, + "CZ_OH": 1.37218424444125, + "CG_CD1_CE1": 120.343984661633, + "CD1_CE1": 1.38404643304231, + "CZ_CE1_CD1": 122.045311063179, + "CA_CB_CG": 115.557809355895 + } +}, +{ + "pk": 12, + "model": "pgd_core.sidechain_tyr", + "fields": { + "CG_CD2": 1.3910070733764, + "CD1_CG_CD2": 117.993573119517, + "CG_CD1": 1.39008580872154, + "CB_CG": 1.4957004303543, + "CB_CG_CD2": 121.194892709487, + "CB_CG_CD1": 119.656594241808, + "CG_CD2_CE2": 120.445989813023, + "CD2_CE2": 1.39207678601005, + "CZ_CE2_CD2": 119.191120314692, + "CE1_CZ_CE2": 121.016255717807, + "CZ_CE1": 1.36324382602197, + "CZ_CE2": 1.39226587170257, + "CE1_CZ_OH": 117.154141729564, + "CE2_CZ_OH": 121.762257277068, + "CZ_OH": 1.36304623176705, + "CG_CD1_CE1": 122.152071393893, + "CD1_CE1": 1.37185192091539, + "CZ_CE1_CD1": 119.166437198013, + "CA_CB_CG": 109.321607398013 + } +}, { "pk": 13, "model": "pgd_core.sidechain_tyr", @@ -55564,180 +45107,155 @@ "pk": 17, "model": "pgd_core.sidechain_tyr", "fields": { - "CG_CD2": 1.4125265815369, - "CD1_CG_CD2": 118.405803454533, - "CG_CD1": 1.39066736409933, - "CB_CG": 1.51450666324263, - "CB_CG_CD2": 121.527618183408, - "CB_CG_CD1": 119.997796808224, - "CG_CD2_CE2": 121.077652827383, - "CD2_CE2": 1.39062171977716, - "CZ_CE2_CD2": 119.243114206477, - "CE1_CZ_CE2": 120.81809191238, - "CZ_CE1": 1.39436747413242, - "CZ_CE2": 1.38483389210376, - "CE1_CZ_OH": 118.532561295522, - "CE2_CZ_OH": 120.634479881471, - "CZ_OH": 1.37963929580444, - "CG_CD1_CE1": 120.826003200536, - "CD1_CE1": 1.39592569694726, - "CZ_CE1_CD1": 119.561925770258, - "CA_CB_CG": 110.385966335608 + "CG_CD2": 1.38996510737183, + "CD1_CG_CD2": 118.272433576859, + "CG_CD1": 1.40507970969924, + "CB_CG": 1.50632016715861, + "CB_CG_CD2": 119.352085132603, + "CB_CG_CD1": 122.362371667276, + "CG_CD2_CE2": 120.772688957808, + "CD2_CE2": 1.36627756276301, + "CZ_CE2_CD2": 120.040837775133, + "CE1_CZ_CE2": 120.829238802685, + "CZ_CE1": 1.37620258431248, + "CZ_CE2": 1.38305769682086, + "CE1_CZ_OH": 121.626567955357, + "CE2_CZ_OH": 117.541490460878, + "CZ_OH": 1.37714995271583, + "CG_CD1_CE1": 120.961322704354, + "CD1_CE1": 1.37723908026299, + "CZ_CE1_CD1": 119.118462591653, + "CA_CB_CG": 118.861533570431 } }, { "pk": 18, "model": "pgd_core.sidechain_tyr", "fields": { - "CG_CD2": 1.40252222602264, - "CD1_CG_CD2": 118.240024731264, - "CG_CD1": 1.37844219194635, - "CB_CG": 1.49409456070315, - "CB_CG_CD2": 120.939355511177, - "CB_CG_CD1": 120.813003858256, - "CG_CD2_CE2": 120.673835329275, - "CD2_CE2": 1.38899354839745, - "CZ_CE2_CD2": 119.240615579958, - "CE1_CZ_CE2": 120.676492878344, - "CZ_CE1": 1.38498752489861, - "CZ_CE2": 1.36926284248819, - "CE1_CZ_OH": 120.673227114997, - "CE2_CZ_OH": 118.645413423876, - "CZ_OH": 1.36906707243512, - "CG_CD1_CE1": 121.349996362199, - "CD1_CE1": 1.36756259764699, - "CZ_CE1_CD1": 119.810508499985, - "CA_CB_CG": 114.902497498551 + "CG_CD2": 1.38887290929405, + "CD1_CG_CD2": 118.397146093369, + "CG_CD1": 1.37549211334116, + "CB_CG": 1.50456961294833, + "CB_CG_CD2": 121.122750428998, + "CB_CG_CD1": 120.479584728993, + "CG_CD2_CE2": 120.754761071741, + "CD2_CE2": 1.38073897038397, + "CZ_CE2_CD2": 119.026606388344, + "CE1_CZ_CE2": 120.985101357349, + "CZ_CE1": 1.36677400962708, + "CZ_CE2": 1.37175427484674, + "CE1_CZ_OH": 117.796304500762, + "CE2_CZ_OH": 121.216145338559, + "CZ_OH": 1.38016048735515, + "CG_CD1_CE1": 121.212507779581, + "CD1_CE1": 1.36827655839683, + "CZ_CE1_CD1": 119.617804446344, + "CA_CB_CG": 112.380895747028 } }, { "pk": 19, "model": "pgd_core.sidechain_tyr", "fields": { - "CG_CD2": 1.40488416605088, - "CD1_CG_CD2": 117.908808614452, - "CG_CD1": 1.40577190837641, - "CB_CG": 1.52044100470315, - "CB_CG_CD2": 121.084841548945, - "CB_CG_CD1": 120.98734050365, - "CG_CD2_CE2": 121.29367959121, - "CD2_CE2": 1.39535273078716, - "CZ_CE2_CD2": 119.444684181726, - "CE1_CZ_CE2": 120.400665359004, - "CZ_CE1": 1.38934138096876, - "CZ_CE2": 1.40232418867033, - "CE1_CZ_OH": 119.673353983104, - "CE2_CZ_OH": 119.923415605263, - "CZ_OH": 1.37519096300732, - "CG_CD1_CE1": 121.364729222017, - "CD1_CE1": 1.39762172964105, - "CZ_CE1_CD1": 119.557419401419, - "CA_CB_CG": 113.771687861554 + "CG_CD2": 1.39173777285902, + "CD1_CG_CD2": 118.48195606834, + "CG_CD1": 1.38704803973253, + "CB_CG": 1.506411102489, + "CB_CG_CD2": 121.260188015934, + "CB_CG_CD1": 120.149413822097, + "CG_CD2_CE2": 121.104062950341, + "CD2_CE2": 1.37568177276313, + "CZ_CE2_CD2": 118.393005581531, + "CE1_CZ_CE2": 121.395460797762, + "CZ_CE1": 1.37702541606871, + "CZ_CE2": 1.38074675854674, + "CE1_CZ_OH": 117.58344379383, + "CE2_CZ_OH": 121.016652562577, + "CZ_OH": 1.3514564775776, + "CG_CD1_CE1": 121.094569856388, + "CD1_CE1": 1.35682415285875, + "CZ_CE1_CD1": 119.494719301048, + "CA_CB_CG": 110.635985213923 } }, { "pk": 20, "model": "pgd_core.sidechain_tyr", "fields": { - "CG_CD2": 1.36879016402086, - "CD1_CG_CD2": 118.204948210126, - "CG_CD1": 1.39354680287663, - "CB_CG": 1.50440300422179, - "CB_CG_CD2": 119.789383450582, - "CB_CG_CD1": 121.827970595996, - "CG_CD2_CE2": 121.527287829723, - "CD2_CE2": 1.37881627278886, - "CZ_CE2_CD2": 119.833096614424, - "CE1_CZ_CE2": 120.361636800766, - "CZ_CE1": 1.3750544755587, - "CZ_CE2": 1.36318329599176, - "CE1_CZ_OH": 121.480155564723, - "CE2_CZ_OH": 118.123087512643, - "CZ_OH": 1.38253689909541, - "CG_CD1_CE1": 120.455396350425, - "CD1_CE1": 1.38848426321602, - "CZ_CE1_CD1": 119.531199674153, - "CA_CB_CG": 119.536779182803 + "CG_CD2": 1.38490090167136, + "CD1_CG_CD2": 118.283702721018, + "CG_CD1": 1.39253782604079, + "CB_CG": 1.51271113206913, + "CB_CG_CD2": 120.819065936581, + "CB_CG_CD1": 120.879010346, + "CG_CD2_CE2": 120.991375795026, + "CD2_CE2": 1.38036055820965, + "CZ_CE2_CD2": 119.66398388844, + "CE1_CZ_CE2": 120.509437635178, + "CZ_CE1": 1.37379434211682, + "CZ_CE2": 1.3837521268416, + "CE1_CZ_OH": 120.337205811081, + "CE2_CZ_OH": 119.149651767264, + "CZ_OH": 1.37520114781549, + "CG_CD1_CE1": 121.133312889649, + "CD1_CE1": 1.38367916624882, + "CZ_CE1_CD1": 119.409663880071, + "CA_CB_CG": 111.869584760082 } }, { "pk": 21, "model": "pgd_core.sidechain_tyr", "fields": { - "CG_CD2": 1.38608740916728, - "CD1_CG_CD2": 117.757462282634, - "CG_CD1": 1.39590766049756, - "CB_CG": 1.51054327365047, - "CB_CG_CD2": 120.746499981063, - "CB_CG_CD1": 121.492718771216, - "CG_CD2_CE2": 120.772318027467, - "CD2_CE2": 1.40044357989897, - "CZ_CE2_CD2": 120.584013716574, - "CE1_CZ_CE2": 120.300087906092, - "CZ_CE1": 1.36745708249553, - "CZ_CE2": 1.36840221783321, - "CE1_CZ_OH": 120.837177759108, - "CE2_CZ_OH": 118.859946837113, - "CZ_OH": 1.38192798409517, - "CG_CD1_CE1": 121.111490663905, - "CD1_CE1": 1.41190794372943, - "CZ_CE1_CD1": 119.465572388279, - "CA_CB_CG": 114.706256372619 + "CG_CD2": 1.38805958419947, + "CD1_CG_CD2": 118.316795070091, + "CG_CD1": 1.39889264131096, + "CB_CG": 1.51449344997903, + "CB_CG_CD2": 120.554840015778, + "CB_CG_CD1": 121.117275323713, + "CG_CD2_CE2": 121.118133817554, + "CD2_CE2": 1.39722910715677, + "CZ_CE2_CD2": 119.86742060971, + "CE1_CZ_CE2": 119.963732846629, + "CZ_CE1": 1.39619770136711, + "CZ_CE2": 1.38031061551774, + "CE1_CZ_OH": 120.639089900519, + "CE2_CZ_OH": 119.395748272048, + "CZ_OH": 1.39079075398547, + "CG_CD1_CE1": 121.017451615258, + "CD1_CE1": 1.38928028901861, + "CZ_CE1_CD1": 119.698060244246, + "CA_CB_CG": 115.068221865131 } }, { "pk": 22, "model": "pgd_core.sidechain_tyr", "fields": { - "CG_CD2": 1.394011674807, - "CD1_CG_CD2": 118.387862046061, - "CG_CD1": 1.37829272482944, - "CB_CG": 1.51130773633563, - "CB_CG_CD2": 121.088537814324, - "CB_CG_CD1": 120.443160259788, - "CG_CD2_CE2": 120.880246716545, - "CD2_CE2": 1.38952572022411, - "CZ_CE2_CD2": 118.772878166568, - "CE1_CZ_CE2": 121.610684423458, - "CZ_CE1": 1.37925248000398, - "CZ_CE2": 1.37147650476475, - "CE1_CZ_OH": 118.276153442417, - "CE2_CZ_OH": 120.111734829509, - "CZ_OH": 1.34814767655677, - "CG_CD1_CE1": 121.525114992045, - "CD1_CE1": 1.38036987387786, - "CZ_CE1_CD1": 118.76773432329, - "CA_CB_CG": 115.940106655455 + "CG_CD2": 1.38664578701207, + "CD1_CG_CD2": 118.004287385429, + "CG_CD1": 1.390810960349, + "CB_CG": 1.51422920415068, + "CB_CG_CD2": 120.731523540321, + "CB_CG_CD1": 121.256017189236, + "CG_CD2_CE2": 121.672836123869, + "CD2_CE2": 1.37121615505142, + "CZ_CE2_CD2": 120.003162469084, + "CE1_CZ_CE2": 120.160419420135, + "CZ_CE1": 1.39049366941084, + "CZ_CE2": 1.37066804637098, + "CE1_CZ_OH": 120.088376551194, + "CE2_CZ_OH": 119.750515291894, + "CZ_OH": 1.38117000680309, + "CG_CD1_CE1": 120.833990940097, + "CD1_CE1": 1.39101063997049, + "CZ_CE1_CD1": 119.31572659183, + "CA_CB_CG": 114.222135397016 } }, { "pk": 23, "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.40323458998741, - "CD1_CG_CD2": 118.430188817256, - "CG_CD1": 1.3932211466688, - "CB_CG": 1.51723124599939, - "CB_CG_CD2": 120.751912560216, - "CB_CG_CD1": 120.719943973259, - "CG_CD2_CE2": 121.271416632751, - "CD2_CE2": 1.3845497368796, - "CZ_CE2_CD2": 118.525289398041, - "CE1_CZ_CE2": 120.858787076321, - "CZ_CE1": 1.3893355604113, - "CZ_CE2": 1.39413094514516, - "CE1_CZ_OH": 119.435622761903, - "CE2_CZ_OH": 119.703611392069, - "CZ_OH": 1.37507697443572, - "CG_CD1_CE1": 121.027200116979, - "CD1_CE1": 1.36889482181497, - "CZ_CE1_CD1": 119.842605957068, - "CA_CB_CG": 110.969963056665 - } -}, -{ - "pk": 24, - "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39619793478584, "CD1_CG_CD2": 118.095671674949, @@ -55761,507 +45279,7 @@ } }, { - "pk": 25, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39801608060017, - "CD1_CG_CD2": 118.586128544581, - "CG_CD1": 1.38320766900417, - "CB_CG": 1.4948468761439, - "CB_CG_CD2": 120.728364490272, - "CB_CG_CD1": 120.682252818249, - "CG_CD2_CE2": 120.881783507134, - "CD2_CE2": 1.37467824893757, - "CZ_CE2_CD2": 119.945314545356, - "CE1_CZ_CE2": 121.000924403968, - "CZ_CE1": 1.38902157493634, - "CZ_CE2": 1.36145008328858, - "CE1_CZ_OH": 119.937682763069, - "CE2_CZ_OH": 119.06135816858, - "CZ_OH": 1.37710482689388, - "CG_CD1_CE1": 120.64229657957, - "CD1_CE1": 1.3947316840001, - "CZ_CE1_CD1": 118.937205361333, - "CA_CB_CG": 114.925303255343 - } -}, -{ - "pk": 26, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39552991360455, - "CD1_CG_CD2": 117.79234234316, - "CG_CD1": 1.38885133345207, - "CB_CG": 1.51187906389181, - "CB_CG_CD2": 121.623523503095, - "CB_CG_CD1": 120.566427640379, - "CG_CD2_CE2": 120.911653299825, - "CD2_CE2": 1.38870921754664, - "CZ_CE2_CD2": 120.166444599199, - "CE1_CZ_CE2": 120.131585081666, - "CZ_CE1": 1.36962289696805, - "CZ_CE2": 1.37770348293351, - "CE1_CZ_OH": 119.226362476071, - "CE2_CZ_OH": 120.641600851524, - "CZ_OH": 1.37008285016925, - "CG_CD1_CE1": 121.157401306558, - "CD1_CE1": 1.39831074032161, - "CZ_CE1_CD1": 119.825722594971, - "CA_CB_CG": 115.192063581593 - } -}, -{ - "pk": 27, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39143418094452, - "CD1_CG_CD2": 118.509631722739, - "CG_CD1": 1.39276241519251, - "CB_CG": 1.50505365108544, - "CB_CG_CD2": 120.900431186656, - "CB_CG_CD1": 120.566846420368, - "CG_CD2_CE2": 120.589288540518, - "CD2_CE2": 1.39716620222445, - "CZ_CE2_CD2": 118.928359127618, - "CE1_CZ_CE2": 121.043891617056, - "CZ_CE1": 1.36666649248147, - "CZ_CE2": 1.39835781382512, - "CE1_CZ_OH": 117.917097562945, - "CE2_CZ_OH": 121.037915249488, - "CZ_OH": 1.35389117881275, - "CG_CD1_CE1": 121.487268878865, - "CD1_CE1": 1.38267426589026, - "CZ_CE1_CD1": 119.431608501833, - "CA_CB_CG": 116.697148420857 - } -}, -{ - "pk": 28, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39800273850801, - "CD1_CG_CD2": 117.819484100198, - "CG_CD1": 1.37312456423636, - "CB_CG": 1.54356110843246, - "CB_CG_CD2": 122.12666953066, - "CB_CG_CD1": 120.053620276591, - "CG_CD2_CE2": 121.251045418865, - "CD2_CE2": 1.3996780037343, - "CZ_CE2_CD2": 119.119527381852, - "CE1_CZ_CE2": 120.006356247121, - "CZ_CE1": 1.38596538396997, - "CZ_CE2": 1.373238453385, - "CE1_CZ_OH": 117.978511161126, - "CE2_CZ_OH": 122.015132589498, - "CZ_OH": 1.3842943656649, - "CG_CD1_CE1": 121.601791364928, - "CD1_CE1": 1.37654115190454, - "CZ_CE1_CD1": 120.19461054402, - "CA_CB_CG": 111.804395544182 - } -}, -{ - "pk": 29, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.37886112404984, - "CD1_CG_CD2": 118.060526548613, - "CG_CD1": 1.38738159300931, - "CB_CG": 1.5264147091338, - "CB_CG_CD2": 120.834413143446, - "CB_CG_CD1": 121.076973060497, - "CG_CD2_CE2": 121.513810014036, - "CD2_CE2": 1.3853912467515, - "CZ_CE2_CD2": 119.813805001408, - "CE1_CZ_CE2": 119.972808885482, - "CZ_CE1": 1.38856045366032, - "CZ_CE2": 1.36273112869521, - "CE1_CZ_OH": 120.606122350661, - "CE2_CZ_OH": 119.406363758641, - "CZ_OH": 1.38837867128292, - "CG_CD1_CE1": 120.842269643164, - "CD1_CE1": 1.38279453142169, - "CZ_CE1_CD1": 119.775201390249, - "CA_CB_CG": 114.138477845625 - } -}, -{ - "pk": 30, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39735828678887, - "CD1_CG_CD2": 118.469839209589, - "CG_CD1": 1.38561346238625, - "CB_CG": 1.50620191071892, - "CB_CG_CD2": 120.644687163109, - "CB_CG_CD1": 120.801561898318, - "CG_CD2_CE2": 121.401106889926, - "CD2_CE2": 1.38815264145941, - "CZ_CE2_CD2": 119.362745636275, - "CE1_CZ_CE2": 120.700279537509, - "CZ_CE1": 1.38382309531394, - "CZ_CE2": 1.381162655395, - "CE1_CZ_OH": 117.871857115824, - "CE2_CZ_OH": 121.427267067274, - "CZ_OH": 1.37231720680997, - "CG_CD1_CE1": 120.604992825234, - "CD1_CE1": 1.4074632040883, - "CZ_CE1_CD1": 119.455779228166, - "CA_CB_CG": 115.795222859206 - } -}, -{ - "pk": 31, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38935506430484, - "CD1_CG_CD2": 118.364630692976, - "CG_CD1": 1.39146108370023, - "CB_CG": 1.51033981500217, - "CB_CG_CD2": 120.324707524617, - "CB_CG_CD1": 121.310641863881, - "CG_CD2_CE2": 121.485176739413, - "CD2_CE2": 1.36909803353629, - "CZ_CE2_CD2": 119.551432817834, - "CE1_CZ_CE2": 120.886335838935, - "CZ_CE1": 1.38785613330151, - "CZ_CE2": 1.36932170967486, - "CE1_CZ_OH": 121.097366705244, - "CE2_CZ_OH": 118.002221615069, - "CZ_OH": 1.35766251643326, - "CG_CD1_CE1": 120.57065532477, - "CD1_CE1": 1.38701794613909, - "CZ_CE1_CD1": 119.126033667862, - "CA_CB_CG": 113.103140460939 - } -}, -{ - "pk": 32, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38885446790164, - "CD1_CG_CD2": 118.478857850995, - "CG_CD1": 1.39369265132894, - "CB_CG": 1.50511995866147, - "CB_CG_CD2": 120.845910895343, - "CB_CG_CD1": 120.60883399112, - "CG_CD2_CE2": 120.20622445481, - "CD2_CE2": 1.40431928785147, - "CZ_CE2_CD2": 119.529111269373, - "CE1_CZ_CE2": 120.675634323246, - "CZ_CE1": 1.38184422072274, - "CZ_CE2": 1.37902294450534, - "CE1_CZ_OH": 119.02669184677, - "CE2_CZ_OH": 120.296821461311, - "CZ_OH": 1.36779665206114, - "CG_CD1_CE1": 121.634875648936, - "CD1_CE1": 1.37231890762793, - "CZ_CE1_CD1": 119.453586657115, - "CA_CB_CG": 111.46733727736 - } -}, -{ - "pk": 33, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38877333356466, - "CD1_CG_CD2": 118.307025581271, - "CG_CD1": 1.3933292445808, - "CB_CG": 1.51594598078171, - "CB_CG_CD2": 119.871945037819, - "CB_CG_CD1": 121.818949290547, - "CG_CD2_CE2": 121.855435271095, - "CD2_CE2": 1.38513845013134, - "CZ_CE2_CD2": 118.804086888989, - "CE1_CZ_CE2": 121.303479801261, - "CZ_CE1": 1.38345984940126, - "CZ_CE2": 1.3757859688706, - "CE1_CZ_OH": 120.110011072654, - "CE2_CZ_OH": 118.534541804267, - "CZ_OH": 1.36282872185129, - "CG_CD1_CE1": 120.512514555871, - "CD1_CE1": 1.39937514439235, - "CZ_CE1_CD1": 119.160570190771, - "CA_CB_CG": 115.817596247071 - } -}, -{ - "pk": 34, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.3918011735404, - "CD1_CG_CD2": 118.553536874036, - "CG_CD1": 1.38013854524956, - "CB_CG": 1.49959061791895, - "CB_CG_CD2": 120.565781742602, - "CB_CG_CD1": 120.781409447281, - "CG_CD2_CE2": 121.049294557445, - "CD2_CE2": 1.40078888724263, - "CZ_CE2_CD2": 119.056599340095, - "CE1_CZ_CE2": 121.017262177977, - "CZ_CE1": 1.38449076856481, - "CZ_CE2": 1.36969602804131, - "CE1_CZ_OH": 119.988363542777, - "CE2_CZ_OH": 118.990104703548, - "CZ_OH": 1.36616601703302, - "CG_CD1_CE1": 120.985734833119, - "CD1_CE1": 1.39500841593077, - "CZ_CE1_CD1": 119.333151106436, - "CA_CB_CG": 110.222344438818 - } -}, -{ - "pk": 35, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38100313670105, - "CD1_CG_CD2": 118.936090609017, - "CG_CD1": 1.38231709695699, - "CB_CG": 1.46650803574703, - "CB_CG_CD2": 120.596575963553, - "CB_CG_CD1": 120.450339063969, - "CG_CD2_CE2": 121.150441185972, - "CD2_CE2": 1.39084620170613, - "CZ_CE2_CD2": 118.867839665262, - "CE1_CZ_CE2": 120.565694244456, - "CZ_CE1": 1.39264415442267, - "CZ_CE2": 1.37292387086336, - "CE1_CZ_OH": 119.942676451059, - "CE2_CZ_OH": 119.48812970459, - "CZ_OH": 1.37520644639617, - "CG_CD1_CE1": 120.804959353261, - "CD1_CE1": 1.37079396615709, - "CZ_CE1_CD1": 119.669539013574, - "CA_CB_CG": 112.026345431266 - } -}, -{ - "pk": 36, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38207355775559, - "CD1_CG_CD2": 118.724894873239, - "CG_CD1": 1.36755766621247, - "CB_CG": 1.48400320750665, - "CB_CG_CD2": 121.542157563242, - "CB_CG_CD1": 119.716761548878, - "CG_CD2_CE2": 120.134410945807, - "CD2_CE2": 1.40641656534317, - "CZ_CE2_CD2": 119.26799267332, - "CE1_CZ_CE2": 119.52246220014, - "CZ_CE1": 1.37308360917217, - "CZ_CE2": 1.3859313182842, - "CE1_CZ_OH": 115.908203979772, - "CE2_CZ_OH": 124.56258413102, - "CZ_OH": 1.39075475971165, - "CG_CD1_CE1": 121.880596340554, - "CD1_CE1": 1.35933909553239, - "CZ_CE1_CD1": 120.465819665199, - "CA_CB_CG": 113.796315162224 - } -}, -{ - "pk": 37, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38273284744811, - "CD1_CG_CD2": 118.212546880233, - "CG_CD1": 1.38094931347684, - "CB_CG": 1.50359065347315, - "CB_CG_CD2": 120.921229680696, - "CB_CG_CD1": 120.73569944153, - "CG_CD2_CE2": 121.03301181441, - "CD2_CE2": 1.39319598812615, - "CZ_CE2_CD2": 119.474782733504, - "CE1_CZ_CE2": 120.197948821003, - "CZ_CE1": 1.39534518385598, - "CZ_CE2": 1.35438592653332, - "CE1_CZ_OH": 119.676517817185, - "CE2_CZ_OH": 120.112093535454, - "CZ_OH": 1.3689661714932, - "CG_CD1_CE1": 121.246277161387, - "CD1_CE1": 1.36206094045438, - "CZ_CE1_CD1": 119.821691379264, - "CA_CB_CG": 108.15807886163 - } -}, -{ - "pk": 38, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38425818235251, - "CD1_CG_CD2": 118.090646484161, - "CG_CD1": 1.40250217362319, - "CB_CG": 1.51580434307118, - "CB_CG_CD2": 120.577631853488, - "CB_CG_CD1": 121.309839479682, - "CG_CD2_CE2": 121.582568382679, - "CD2_CE2": 1.36301058242162, - "CZ_CE2_CD2": 119.671693365992, - "CE1_CZ_CE2": 120.404336906405, - "CZ_CE1": 1.38161591531298, - "CZ_CE2": 1.39012632652776, - "CE1_CZ_OH": 119.919404690639, - "CE2_CZ_OH": 119.647268903884, - "CZ_OH": 1.38674135705635, - "CG_CD1_CE1": 120.956961980214, - "CD1_CE1": 1.37928973318942, - "CZ_CE1_CD1": 119.271819288674, - "CA_CB_CG": 113.519655644502 - } -}, -{ - "pk": 39, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39967322386073, - "CD1_CG_CD2": 118.044981949132, - "CG_CD1": 1.40503348961161, - "CB_CG": 1.51302876214014, - "CB_CG_CD2": 120.785823809221, - "CB_CG_CD1": 121.154244811306, - "CG_CD2_CE2": 121.453305501956, - "CD2_CE2": 1.38027367439279, - "CZ_CE2_CD2": 119.057538981192, - "CE1_CZ_CE2": 121.345321501226, - "CZ_CE1": 1.38817185519271, - "CZ_CE2": 1.36829064685387, - "CE1_CZ_OH": 120.391120321129, - "CE2_CZ_OH": 118.26086838219, - "CZ_OH": 1.36165037617089, - "CG_CD1_CE1": 120.426932433904, - "CD1_CE1": 1.3767909961386, - "CZ_CE1_CD1": 119.654336477752, - "CA_CB_CG": 114.615063421149 - } -}, -{ - "pk": 40, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.37420052522446, - "CD1_CG_CD2": 118.260729509351, - "CG_CD1": 1.39745579534328, - "CB_CG": 1.52064919665761, - "CB_CG_CD2": 121.24405655335, - "CB_CG_CD1": 120.487159260324, - "CG_CD2_CE2": 121.188729957879, - "CD2_CE2": 1.41072181440115, - "CZ_CE2_CD2": 119.9389992852, - "CE1_CZ_CE2": 120.372342760525, - "CZ_CE1": 1.37816811427411, - "CZ_CE2": 1.38952947348771, - "CE1_CZ_OH": 120.1770481693, - "CE2_CZ_OH": 119.450603225312, - "CZ_OH": 1.37810690872495, - "CG_CD1_CE1": 121.417380655318, - "CD1_CE1": 1.42441576211098, - "CZ_CE1_CD1": 118.778282528479, - "CA_CB_CG": 111.012888496311 - } -}, -{ - "pk": 41, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.40897953361738, - "CD1_CG_CD2": 118.032259167397, - "CG_CD1": 1.39362509391822, - "CB_CG": 1.50180233654849, - "CB_CG_CD2": 120.964068161777, - "CB_CG_CD1": 120.94350358253, - "CG_CD2_CE2": 121.06560490926, - "CD2_CE2": 1.39689302666608, - "CZ_CE2_CD2": 119.366993735851, - "CE1_CZ_CE2": 120.893093085419, - "CZ_CE1": 1.38419765576831, - "CZ_CE2": 1.37756518594522, - "CE1_CZ_OH": 119.992763166073, - "CE2_CZ_OH": 119.112091874077, - "CZ_OH": 1.36602380458727, - "CG_CD1_CE1": 120.866249742621, - "CD1_CE1": 1.39802511655712, - "CZ_CE1_CD1": 119.745576669414, - "CA_CB_CG": 114.082260552299 - } -}, -{ - "pk": 42, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39210330905111, - "CD1_CG_CD2": 118.325194768764, - "CG_CD1": 1.39406399260098, - "CB_CG": 1.51142128902329, - "CB_CG_CD2": 120.830138012306, - "CB_CG_CD1": 120.790032124178, - "CG_CD2_CE2": 121.154976049485, - "CD2_CE2": 1.40174157181561, - "CZ_CE2_CD2": 119.247832992599, - "CE1_CZ_CE2": 120.735407329608, - "CZ_CE1": 1.39375709986443, - "CZ_CE2": 1.37371531036078, - "CE1_CZ_OH": 119.481945066299, - "CE2_CZ_OH": 119.782436738338, - "CZ_OH": 1.36079879894683, - "CG_CD1_CE1": 121.03861157018, - "CD1_CE1": 1.38903610812974, - "CZ_CE1_CD1": 119.461285110682, - "CA_CB_CG": 112.168076339245 - } -}, -{ - "pk": 43, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38670945490463, - "CD1_CG_CD2": 118.621948803718, - "CG_CD1": 1.38831220839539, - "CB_CG": 1.49409269948458, - "CB_CG_CD2": 120.510973391149, - "CB_CG_CD1": 120.862482070025, - "CG_CD2_CE2": 120.345497790388, - "CD2_CE2": 1.40660662266387, - "CZ_CE2_CD2": 119.344785687766, - "CE1_CZ_CE2": 120.989226881533, - "CZ_CE1": 1.37036626850178, - "CZ_CE2": 1.37756319428945, - "CE1_CZ_OH": 118.052457141708, - "CE2_CZ_OH": 120.954883927197, - "CZ_OH": 1.37691691370874, - "CG_CD1_CE1": 121.24775929258, - "CD1_CE1": 1.38841237449614, - "CZ_CE1_CD1": 119.446250974898, - "CA_CB_CG": 115.638031142779 - } -}, -{ - "pk": 44, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39708316202134, - "CD1_CG_CD2": 118.117290028345, - "CG_CD1": 1.38277691583107, - "CB_CG": 1.51465013125026, - "CB_CG_CD2": 120.484983300716, - "CB_CG_CD1": 121.381980357921, - "CG_CD2_CE2": 121.549899934748, - "CD2_CE2": 1.37842459538451, - "CZ_CE2_CD2": 120.167854269969, - "CE1_CZ_CE2": 119.839123930933, - "CZ_CE1": 1.3880036649984, - "CZ_CE2": 1.38137122334975, - "CE1_CZ_OH": 121.239184216446, - "CE2_CZ_OH": 118.921672981445, - "CZ_OH": 1.39695162760274, - "CG_CD1_CE1": 120.832194231124, - "CD1_CE1": 1.41156016708809, - "CZ_CE1_CD1": 119.486763342036, - "CA_CB_CG": 115.380661827505 - } -}, -{ - "pk": 45, + "pk": 24, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39226892318322, @@ -56286,7 +45304,7 @@ } }, { - "pk": 46, + "pk": 25, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40252968331319, @@ -56311,32 +45329,7 @@ } }, { - "pk": 47, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38693650658421, - "CD1_CG_CD2": 118.223334097561, - "CG_CD1": 1.37675896935731, - "CB_CG": 1.50346392412197, - "CB_CG_CD2": 120.926649525771, - "CB_CG_CD1": 120.826806720429, - "CG_CD2_CE2": 121.19467157777, - "CD2_CE2": 1.37515827100934, - "CZ_CE2_CD2": 119.467220142448, - "CE1_CZ_CE2": 120.514786675368, - "CZ_CE1": 1.37436618116614, - "CZ_CE2": 1.37269176491228, - "CE1_CZ_OH": 119.422623003961, - "CE2_CZ_OH": 120.062460747281, - "CZ_OH": 1.36208170935094, - "CG_CD1_CE1": 121.132516504764, - "CD1_CE1": 1.38111401159745, - "CZ_CE1_CD1": 119.452828290486, - "CA_CB_CG": 113.01663108133 - } -}, -{ - "pk": 48, + "pk": 26, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39410755597557, @@ -56361,7 +45354,7 @@ } }, { - "pk": 49, + "pk": 27, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38763934161359, @@ -56386,7 +45379,7 @@ } }, { - "pk": 50, + "pk": 28, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39523098481206, @@ -56411,32 +45404,7 @@ } }, { - "pk": 51, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.40109794594175, - "CD1_CG_CD2": 118.419595118309, - "CG_CD1": 1.38681520135352, - "CB_CG": 1.5058180103138, - "CB_CG_CD2": 119.920145951685, - "CB_CG_CD1": 121.659563052856, - "CG_CD2_CE2": 121.702592703946, - "CD2_CE2": 1.36082880425587, - "CZ_CE2_CD2": 119.29286148734, - "CE1_CZ_CE2": 120.987978827574, - "CZ_CE1": 1.39012543605475, - "CZ_CE2": 1.38049688200888, - "CE1_CZ_OH": 120.672803445055, - "CE2_CZ_OH": 118.334724304485, - "CZ_OH": 1.38226439161602, - "CG_CD1_CE1": 120.563885060159, - "CD1_CE1": 1.39273826141602, - "CZ_CE1_CD1": 119.029505203788, - "CA_CB_CG": 116.653911130784 - } -}, -{ - "pk": 52, + "pk": 29, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39374113559113, @@ -56461,32 +45429,7 @@ } }, { - "pk": 53, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.40155184534404, - "CD1_CG_CD2": 118.563394463954, - "CG_CD1": 1.4016288576054, - "CB_CG": 1.51198790187162, - "CB_CG_CD2": 120.901845492862, - "CB_CG_CD1": 120.532989679366, - "CG_CD2_CE2": 120.453822314706, - "CD2_CE2": 1.41264338434225, - "CZ_CE2_CD2": 119.274511947898, - "CE1_CZ_CE2": 120.738017406337, - "CZ_CE1": 1.38513345525068, - "CZ_CE2": 1.39152911997869, - "CE1_CZ_OH": 117.952110794904, - "CE2_CZ_OH": 121.309676636847, - "CZ_OH": 1.37605523561413, - "CG_CD1_CE1": 121.130210697646, - "CD1_CE1": 1.38981078593399, - "CZ_CE1_CD1": 119.83113277786, - "CA_CB_CG": 113.974399369758 - } -}, -{ - "pk": 54, + "pk": 30, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39346176893733, @@ -56511,7 +45454,7 @@ } }, { - "pk": 55, + "pk": 31, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39962432695114, @@ -56536,132 +45479,7 @@ } }, { - "pk": 56, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.37997231902718, - "CD1_CG_CD2": 118.224731548937, - "CG_CD1": 1.40017134058843, - "CB_CG": 1.51225796409398, - "CB_CG_CD2": 120.571658688729, - "CB_CG_CD1": 121.200163556271, - "CG_CD2_CE2": 121.228713683407, - "CD2_CE2": 1.3791274809809, - "CZ_CE2_CD2": 120.061913087223, - "CE1_CZ_CE2": 120.313304292459, - "CZ_CE1": 1.38653157066573, - "CZ_CE2": 1.38218384003508, - "CE1_CZ_OH": 122.560841876441, - "CE2_CZ_OH": 117.125750868294, - "CZ_OH": 1.38874562070279, - "CG_CD1_CE1": 121.188145963627, - "CD1_CE1": 1.39025394247525, - "CZ_CE1_CD1": 118.973063311269, - "CA_CB_CG": 112.141284871256 - } -}, -{ - "pk": 57, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39532730078645, - "CD1_CG_CD2": 117.988194104538, - "CG_CD1": 1.39350838053814, - "CB_CG": 1.52146842541596, - "CB_CG_CD2": 120.632030512758, - "CB_CG_CD1": 121.373620641372, - "CG_CD2_CE2": 121.143904408761, - "CD2_CE2": 1.40256297164828, - "CZ_CE2_CD2": 119.340624079557, - "CE1_CZ_CE2": 120.084464143809, - "CZ_CE1": 1.38093101545998, - "CZ_CE2": 1.40545582532238, - "CE1_CZ_OH": 119.039714892446, - "CE2_CZ_OH": 120.8679943892, - "CZ_OH": 1.3887809269359, - "CG_CD1_CE1": 121.823842499625, - "CD1_CE1": 1.39600385233934, - "CZ_CE1_CD1": 119.5861577259, - "CA_CB_CG": 115.525248036112 - } -}, -{ - "pk": 58, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.4101595334942, - "CD1_CG_CD2": 118.747658225671, - "CG_CD1": 1.38285114398256, - "CB_CG": 1.49354899093033, - "CB_CG_CD2": 121.425262111429, - "CB_CG_CD1": 119.79475466235, - "CG_CD2_CE2": 120.076248944303, - "CD2_CE2": 1.38721022070063, - "CZ_CE2_CD2": 119.09173561584, - "CE1_CZ_CE2": 121.327294953842, - "CZ_CE1": 1.36713326036574, - "CZ_CE2": 1.38867833548322, - "CE1_CZ_OH": 116.236794085214, - "CE2_CZ_OH": 122.432596409541, - "CZ_OH": 1.36365683125095, - "CG_CD1_CE1": 121.131139429623, - "CD1_CE1": 1.3785274185317, - "CZ_CE1_CD1": 119.617280481666, - "CA_CB_CG": 112.101301853841 - } -}, -{ - "pk": 59, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.40602436869374, - "CD1_CG_CD2": 118.084630900943, - "CG_CD1": 1.39055286592016, - "CB_CG": 1.52738842060354, - "CB_CG_CD2": 121.192473507234, - "CB_CG_CD1": 120.616614452806, - "CG_CD2_CE2": 121.094424968015, - "CD2_CE2": 1.39010097678701, - "CZ_CE2_CD2": 119.655423482955, - "CE1_CZ_CE2": 120.858801183311, - "CZ_CE1": 1.38082540421931, - "CZ_CE2": 1.3867375997234, - "CE1_CZ_OH": 119.869877765668, - "CE2_CZ_OH": 119.267931238206, - "CZ_OH": 1.36554104138306, - "CG_CD1_CE1": 121.124389160056, - "CD1_CE1": 1.41249383824183, - "CZ_CE1_CD1": 119.109635073958, - "CA_CB_CG": 112.866524604965 - } -}, -{ - "pk": 60, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38318641817508, - "CD1_CG_CD2": 118.394284742462, - "CG_CD1": 1.38978449998216, - "CB_CG": 1.51400549297861, - "CB_CG_CD2": 120.708339335145, - "CB_CG_CD1": 120.888510434809, - "CG_CD2_CE2": 121.192987449556, - "CD2_CE2": 1.35941660508068, - "CZ_CE2_CD2": 119.441728172979, - "CE1_CZ_CE2": 121.105969702275, - "CZ_CE1": 1.36502355008943, - "CZ_CE2": 1.3859857508253, - "CE1_CZ_OH": 118.685839698734, - "CE2_CZ_OH": 120.207026673283, - "CZ_OH": 1.38158404932676, - "CG_CD1_CE1": 120.982140246695, - "CD1_CE1": 1.38258270037629, - "CZ_CE1_CD1": 118.874313020811, - "CA_CB_CG": 114.495078449526 - } -}, -{ - "pk": 61, + "pk": 32, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39097756696724, @@ -56686,207 +45504,7 @@ } }, { - "pk": 62, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39161113910774, - "CD1_CG_CD2": 118.078713750134, - "CG_CD1": 1.40312481182388, - "CB_CG": 1.50401931545373, - "CB_CG_CD2": 120.955213469671, - "CB_CG_CD1": 120.948728463757, - "CG_CD2_CE2": 121.015417699311, - "CD2_CE2": 1.39576522104596, - "CZ_CE2_CD2": 119.70343224557, - "CE1_CZ_CE2": 120.777894276079, - "CZ_CE1": 1.38271721698384, - "CZ_CE2": 1.37702627668419, - "CE1_CZ_OH": 120.562895325332, - "CE2_CZ_OH": 118.650936770347, - "CZ_OH": 1.36779566871818, - "CG_CD1_CE1": 121.013554581919, - "CD1_CE1": 1.39360580430711, - "CZ_CE1_CD1": 119.397070826389, - "CA_CB_CG": 116.68444359911 - } -}, -{ - "pk": 63, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39206376082094, - "CD1_CG_CD2": 117.942070895346, - "CG_CD1": 1.39050878439158, - "CB_CG": 1.52030192029391, - "CB_CG_CD2": 120.641630134024, - "CB_CG_CD1": 121.409223542303, - "CG_CD2_CE2": 121.68665171101, - "CD2_CE2": 1.38787122204017, - "CZ_CE2_CD2": 119.49077332627, - "CE1_CZ_CE2": 120.043704305402, - "CZ_CE1": 1.37827076379279, - "CZ_CE2": 1.3857973012854, - "CE1_CZ_OH": 120.04829437534, - "CE2_CZ_OH": 119.881830168641, - "CZ_OH": 1.3830102264103, - "CG_CD1_CE1": 120.77580396489, - "CD1_CE1": 1.39994423390091, - "CZ_CE1_CD1": 120.042777422113, - "CA_CB_CG": 114.710902073337 - } -}, -{ - "pk": 64, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38490765772635, - "CD1_CG_CD2": 117.563324740393, - "CG_CD1": 1.38270685859313, - "CB_CG": 1.51452246834836, - "CB_CG_CD2": 121.293030043136, - "CB_CG_CD1": 121.057203892135, - "CG_CD2_CE2": 121.220093605349, - "CD2_CE2": 1.37875550854866, - "CZ_CE2_CD2": 120.37066691496, - "CE1_CZ_CE2": 120.122632895036, - "CZ_CE1": 1.3738004729542, - "CZ_CE2": 1.35760483966525, - "CE1_CZ_OH": 121.347963493412, - "CE2_CZ_OH": 118.516008454519, - "CZ_OH": 1.37975299165955, - "CG_CD1_CE1": 121.168304441864, - "CD1_CE1": 1.39162811358537, - "CZ_CE1_CD1": 119.488216107707, - "CA_CB_CG": 117.905605622095 - } -}, -{ - "pk": 65, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38927073440617, - "CD1_CG_CD2": 118.346872669527, - "CG_CD1": 1.38384909477054, - "CB_CG": 1.49929308645608, - "CB_CG_CD2": 121.328745682496, - "CB_CG_CD1": 120.286589631182, - "CG_CD2_CE2": 121.082673253159, - "CD2_CE2": 1.39308299505598, - "CZ_CE2_CD2": 118.664277440326, - "CE1_CZ_CE2": 121.264276956949, - "CZ_CE1": 1.37640141747104, - "CZ_CE2": 1.37636775010642, - "CE1_CZ_OH": 118.263324454377, - "CE2_CZ_OH": 120.472194560089, - "CZ_OH": 1.35721932055539, - "CG_CD1_CE1": 121.299214220946, - "CD1_CE1": 1.3773846250993, - "CZ_CE1_CD1": 119.332917369821, - "CA_CB_CG": 110.866471308964 - } -}, -{ - "pk": 66, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38939229642692, - "CD1_CG_CD2": 118.740016046325, - "CG_CD1": 1.38949020664557, - "CB_CG": 1.49962283471403, - "CB_CG_CD2": 120.393686771463, - "CB_CG_CD1": 120.857708345313, - "CG_CD2_CE2": 120.986812349881, - "CD2_CE2": 1.37765121389322, - "CZ_CE2_CD2": 119.214716504395, - "CE1_CZ_CE2": 121.210230110656, - "CZ_CE1": 1.3896409129551, - "CZ_CE2": 1.3634204553528, - "CE1_CZ_OH": 119.676402328003, - "CE2_CZ_OH": 119.11313670176, - "CZ_OH": 1.36654500169917, - "CG_CD1_CE1": 120.580541574293, - "CD1_CE1": 1.37222726961722, - "CZ_CE1_CD1": 119.25953530948, - "CA_CB_CG": 114.469075020384 - } -}, -{ - "pk": 67, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39730827504736, - "CD1_CG_CD2": 117.874544185943, - "CG_CD1": 1.38492839125439, - "CB_CG": 1.51817797125454, - "CB_CG_CD2": 121.248471023016, - "CB_CG_CD1": 120.871086611426, - "CG_CD2_CE2": 121.027056475755, - "CD2_CE2": 1.39161489762891, - "CZ_CE2_CD2": 119.335797092143, - "CE1_CZ_CE2": 120.332000039902, - "CZ_CE1": 1.37629220828537, - "CZ_CE2": 1.38085192185339, - "CE1_CZ_OH": 119.192226473303, - "CE2_CZ_OH": 120.4744328497, - "CZ_OH": 1.37550752361116, - "CG_CD1_CE1": 121.432633475479, - "CD1_CE1": 1.37827590234033, - "CZ_CE1_CD1": 119.971757839649, - "CA_CB_CG": 113.457069793512 - } -}, -{ - "pk": 68, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38634545931636, - "CD1_CG_CD2": 118.262202474285, - "CG_CD1": 1.39147365618104, - "CB_CG": 1.49447946476899, - "CB_CG_CD2": 120.688643522634, - "CB_CG_CD1": 121.049080746478, - "CG_CD2_CE2": 121.362563665232, - "CD2_CE2": 1.36475488045032, - "CZ_CE2_CD2": 119.439633251621, - "CE1_CZ_CE2": 120.934283747324, - "CZ_CE1": 1.3724143772844, - "CZ_CE2": 1.37715797149822, - "CE1_CZ_OH": 121.45666385465, - "CE2_CZ_OH": 117.606344953506, - "CZ_OH": 1.37417295808829, - "CG_CD1_CE1": 120.70353733866, - "CD1_CE1": 1.38136404713156, - "CZ_CE1_CD1": 119.289774760908, - "CA_CB_CG": 113.162569425953 - } -}, -{ - "pk": 69, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.3839688938824, - "CD1_CG_CD2": 118.04553242652, - "CG_CD1": 1.40396766354203, - "CB_CG": 1.51274518792895, - "CB_CG_CD2": 120.095915646164, - "CB_CG_CD1": 121.686218459365, - "CG_CD2_CE2": 121.242246316519, - "CD2_CE2": 1.40307225265022, - "CZ_CE2_CD2": 120.23001503006, - "CE1_CZ_CE2": 120.119349810718, - "CZ_CE1": 1.38911673663506, - "CZ_CE2": 1.365425764225, - "CE1_CZ_OH": 121.24668976437, - "CE2_CZ_OH": 118.633883403546, - "CZ_OH": 1.39468180266656, - "CG_CD1_CE1": 120.423667902761, - "CD1_CE1": 1.40980350328761, - "CZ_CE1_CD1": 119.745530946036, - "CA_CB_CG": 110.633900946865 - } -}, -{ - "pk": 70, + "pk": 33, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39963346280966, @@ -56911,7 +45529,7 @@ } }, { - "pk": 71, + "pk": 34, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.4028512219731, @@ -56936,32 +45554,7 @@ } }, { - "pk": 72, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38996510737183, - "CD1_CG_CD2": 118.272433576859, - "CG_CD1": 1.40507970969924, - "CB_CG": 1.50632016715861, - "CB_CG_CD2": 119.352085132603, - "CB_CG_CD1": 122.362371667276, - "CG_CD2_CE2": 120.772688957808, - "CD2_CE2": 1.36627756276301, - "CZ_CE2_CD2": 120.040837775133, - "CE1_CZ_CE2": 120.829238802685, - "CZ_CE1": 1.37620258431248, - "CZ_CE2": 1.38305769682086, - "CE1_CZ_OH": 121.626567955357, - "CE2_CZ_OH": 117.541490460878, - "CZ_OH": 1.37714995271583, - "CG_CD1_CE1": 120.961322704354, - "CD1_CE1": 1.37723908026299, - "CZ_CE1_CD1": 119.118462591653, - "CA_CB_CG": 118.861533570431 - } -}, -{ - "pk": 73, + "pk": 35, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39570769877924, @@ -56986,7 +45579,7 @@ } }, { - "pk": 74, + "pk": 36, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39601669986074, @@ -57011,7 +45604,7 @@ } }, { - "pk": 75, + "pk": 37, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39385530911564, @@ -57036,57 +45629,7 @@ } }, { - "pk": 76, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38887290929405, - "CD1_CG_CD2": 118.397146093369, - "CG_CD1": 1.37549211334116, - "CB_CG": 1.50456961294833, - "CB_CG_CD2": 121.122750428998, - "CB_CG_CD1": 120.479584728993, - "CG_CD2_CE2": 120.754761071741, - "CD2_CE2": 1.38073897038397, - "CZ_CE2_CD2": 119.026606388344, - "CE1_CZ_CE2": 120.985101357349, - "CZ_CE1": 1.36677400962708, - "CZ_CE2": 1.37175427484674, - "CE1_CZ_OH": 117.796304500762, - "CE2_CZ_OH": 121.216145338559, - "CZ_OH": 1.38016048735515, - "CG_CD1_CE1": 121.212507779581, - "CD1_CE1": 1.36827655839683, - "CZ_CE1_CD1": 119.617804446344, - "CA_CB_CG": 112.380895747028 - } -}, -{ - "pk": 77, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.39173777285902, - "CD1_CG_CD2": 118.48195606834, - "CG_CD1": 1.38704803973253, - "CB_CG": 1.506411102489, - "CB_CG_CD2": 121.260188015934, - "CB_CG_CD1": 120.149413822097, - "CG_CD2_CE2": 121.104062950341, - "CD2_CE2": 1.37568177276313, - "CZ_CE2_CD2": 118.393005581531, - "CE1_CZ_CE2": 121.395460797762, - "CZ_CE1": 1.37702541606871, - "CZ_CE2": 1.38074675854674, - "CE1_CZ_OH": 117.58344379383, - "CE2_CZ_OH": 121.016652562577, - "CZ_OH": 1.3514564775776, - "CG_CD1_CE1": 121.094569856388, - "CD1_CE1": 1.35682415285875, - "CZ_CE1_CD1": 119.494719301048, - "CA_CB_CG": 110.635985213923 - } -}, -{ - "pk": 78, + "pk": 38, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39645958164437, @@ -57111,32 +45654,7 @@ } }, { - "pk": 79, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38490090167136, - "CD1_CG_CD2": 118.283702721018, - "CG_CD1": 1.39253782604079, - "CB_CG": 1.51271113206913, - "CB_CG_CD2": 120.819065936581, - "CB_CG_CD1": 120.879010346, - "CG_CD2_CE2": 120.991375795026, - "CD2_CE2": 1.38036055820965, - "CZ_CE2_CD2": 119.66398388844, - "CE1_CZ_CE2": 120.509437635178, - "CZ_CE1": 1.37379434211682, - "CZ_CE2": 1.3837521268416, - "CE1_CZ_OH": 120.337205811081, - "CE2_CZ_OH": 119.149651767264, - "CZ_OH": 1.37520114781549, - "CG_CD1_CE1": 121.133312889649, - "CD1_CE1": 1.38367916624882, - "CZ_CE1_CD1": 119.409663880071, - "CA_CB_CG": 111.869584760082 - } -}, -{ - "pk": 80, + "pk": 39, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38635879679607, @@ -57161,57 +45679,7 @@ } }, { - "pk": 81, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38805958419947, - "CD1_CG_CD2": 118.316795070091, - "CG_CD1": 1.39889264131096, - "CB_CG": 1.51449344997903, - "CB_CG_CD2": 120.554840015778, - "CB_CG_CD1": 121.117275323713, - "CG_CD2_CE2": 121.118133817554, - "CD2_CE2": 1.39722910715677, - "CZ_CE2_CD2": 119.86742060971, - "CE1_CZ_CE2": 119.963732846629, - "CZ_CE1": 1.39619770136711, - "CZ_CE2": 1.38031061551774, - "CE1_CZ_OH": 120.639089900519, - "CE2_CZ_OH": 119.395748272048, - "CZ_OH": 1.39079075398547, - "CG_CD1_CE1": 121.017451615258, - "CD1_CE1": 1.38928028901861, - "CZ_CE1_CD1": 119.698060244246, - "CA_CB_CG": 115.068221865131 - } -}, -{ - "pk": 82, - "model": "pgd_core.sidechain_tyr", - "fields": { - "CG_CD2": 1.38664578701207, - "CD1_CG_CD2": 118.004287385429, - "CG_CD1": 1.390810960349, - "CB_CG": 1.51422920415068, - "CB_CG_CD2": 120.731523540321, - "CB_CG_CD1": 121.256017189236, - "CG_CD2_CE2": 121.672836123869, - "CD2_CE2": 1.37121615505142, - "CZ_CE2_CD2": 120.003162469084, - "CE1_CZ_CE2": 120.160419420135, - "CZ_CE1": 1.39049366941084, - "CZ_CE2": 1.37066804637098, - "CE1_CZ_OH": 120.088376551194, - "CE2_CZ_OH": 119.750515291894, - "CZ_OH": 1.38117000680309, - "CG_CD1_CE1": 120.833990940097, - "CD1_CE1": 1.39101063997049, - "CZ_CE1_CD1": 119.31572659183, - "CA_CB_CG": 114.222135397016 - } -}, -{ - "pk": 83, + "pk": 40, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39495335983039, @@ -57236,7 +45704,7 @@ } }, { - "pk": 84, + "pk": 41, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39933140106102, @@ -57261,7 +45729,7 @@ } }, { - "pk": 85, + "pk": 42, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39184574037954, @@ -57286,7 +45754,7 @@ } }, { - "pk": 86, + "pk": 43, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39501758073514, @@ -57311,7 +45779,7 @@ } }, { - "pk": 87, + "pk": 44, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40228238046619, @@ -57336,7 +45804,7 @@ } }, { - "pk": 88, + "pk": 45, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39720535690234, @@ -57361,7 +45829,7 @@ } }, { - "pk": 89, + "pk": 46, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39947712123885, @@ -57386,7 +45854,7 @@ } }, { - "pk": 90, + "pk": 47, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39363967726813, @@ -57411,7 +45879,7 @@ } }, { - "pk": 91, + "pk": 48, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39121075541023, @@ -57436,7 +45904,7 @@ } }, { - "pk": 92, + "pk": 49, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39625164222384, @@ -57461,7 +45929,7 @@ } }, { - "pk": 93, + "pk": 50, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39926697176112, @@ -57486,7 +45954,7 @@ } }, { - "pk": 94, + "pk": 51, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38977532957915, @@ -57511,7 +45979,7 @@ } }, { - "pk": 95, + "pk": 52, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39180810442869, @@ -57536,7 +46004,7 @@ } }, { - "pk": 96, + "pk": 53, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39125431490438, @@ -57561,7 +46029,7 @@ } }, { - "pk": 97, + "pk": 54, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40417685753567, @@ -57586,7 +46054,7 @@ } }, { - "pk": 98, + "pk": 55, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39871757039272, @@ -57611,7 +46079,7 @@ } }, { - "pk": 99, + "pk": 56, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39502535843679, @@ -57636,7 +46104,7 @@ } }, { - "pk": 100, + "pk": 57, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.3956883159031, @@ -57661,7 +46129,7 @@ } }, { - "pk": 101, + "pk": 58, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39434323272025, @@ -57686,7 +46154,7 @@ } }, { - "pk": 102, + "pk": 59, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39647078149022, @@ -57711,7 +46179,7 @@ } }, { - "pk": 103, + "pk": 60, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40074452714801, @@ -57736,7 +46204,7 @@ } }, { - "pk": 104, + "pk": 61, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39347784146903, @@ -57761,7 +46229,7 @@ } }, { - "pk": 105, + "pk": 62, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40003378948112, @@ -57786,7 +46254,7 @@ } }, { - "pk": 106, + "pk": 63, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39549356842009, @@ -57811,7 +46279,7 @@ } }, { - "pk": 107, + "pk": 64, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39490521945354, @@ -57836,7 +46304,7 @@ } }, { - "pk": 108, + "pk": 65, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39385959097991, @@ -57861,7 +46329,7 @@ } }, { - "pk": 109, + "pk": 66, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.4028728812839, @@ -57886,7 +46354,7 @@ } }, { - "pk": 110, + "pk": 67, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39861081411458, @@ -57911,7 +46379,7 @@ } }, { - "pk": 111, + "pk": 68, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38896372580569, @@ -57936,7 +46404,7 @@ } }, { - "pk": 112, + "pk": 69, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39529978593237, @@ -57961,7 +46429,7 @@ } }, { - "pk": 113, + "pk": 70, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39679896451856, @@ -57986,7 +46454,7 @@ } }, { - "pk": 114, + "pk": 71, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38368850890028, @@ -58011,7 +46479,7 @@ } }, { - "pk": 115, + "pk": 72, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.3946061159478, @@ -58036,7 +46504,7 @@ } }, { - "pk": 116, + "pk": 73, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39839002876693, @@ -58061,7 +46529,7 @@ } }, { - "pk": 117, + "pk": 74, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40202101154736, @@ -58086,7 +46554,7 @@ } }, { - "pk": 118, + "pk": 75, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39423121588681, @@ -58111,7 +46579,7 @@ } }, { - "pk": 119, + "pk": 76, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38774106858718, @@ -58136,7 +46604,7 @@ } }, { - "pk": 120, + "pk": 77, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39357960463063, @@ -58161,7 +46629,7 @@ } }, { - "pk": 121, + "pk": 78, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39779260911662, @@ -58186,7 +46654,7 @@ } }, { - "pk": 122, + "pk": 79, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.3913003659147, @@ -58211,7 +46679,7 @@ } }, { - "pk": 123, + "pk": 80, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40019136668076, @@ -58236,7 +46704,7 @@ } }, { - "pk": 124, + "pk": 81, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40517098262798, @@ -58261,7 +46729,7 @@ } }, { - "pk": 125, + "pk": 82, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39153014038061, @@ -58286,7 +46754,7 @@ } }, { - "pk": 126, + "pk": 83, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39491286399546, @@ -58311,7 +46779,7 @@ } }, { - "pk": 127, + "pk": 84, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39040195480195, @@ -58336,7 +46804,7 @@ } }, { - "pk": 128, + "pk": 85, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39638654164116, @@ -58361,7 +46829,7 @@ } }, { - "pk": 129, + "pk": 86, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40001147279958, @@ -58386,7 +46854,7 @@ } }, { - "pk": 130, + "pk": 87, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38664252509834, @@ -58411,7 +46879,7 @@ } }, { - "pk": 131, + "pk": 88, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39960737732392, @@ -58436,7 +46904,7 @@ } }, { - "pk": 132, + "pk": 89, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39660041771735, @@ -58461,7 +46929,7 @@ } }, { - "pk": 133, + "pk": 90, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39438670295412, @@ -58486,7 +46954,7 @@ } }, { - "pk": 134, + "pk": 91, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39678841397683, @@ -58511,7 +46979,7 @@ } }, { - "pk": 135, + "pk": 92, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40698572704977, @@ -58536,7 +47004,7 @@ } }, { - "pk": 136, + "pk": 93, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40255427837456, @@ -58561,7 +47029,7 @@ } }, { - "pk": 137, + "pk": 94, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39226758690821, @@ -58586,7 +47054,7 @@ } }, { - "pk": 138, + "pk": 95, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40939692681978, @@ -58611,7 +47079,7 @@ } }, { - "pk": 139, + "pk": 96, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39597365103966, @@ -58636,7 +47104,7 @@ } }, { - "pk": 140, + "pk": 97, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39894727842056, @@ -58661,7 +47129,7 @@ } }, { - "pk": 141, + "pk": 98, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39304912538161, @@ -58686,7 +47154,7 @@ } }, { - "pk": 142, + "pk": 99, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.40636914584308, @@ -58711,7 +47179,7 @@ } }, { - "pk": 143, + "pk": 100, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39433491304615, @@ -58736,7 +47204,7 @@ } }, { - "pk": 144, + "pk": 101, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39031884885731, @@ -58761,7 +47229,7 @@ } }, { - "pk": 145, + "pk": 102, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39325529321768, @@ -58786,7 +47254,7 @@ } }, { - "pk": 146, + "pk": 103, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39435672302378, @@ -58811,7 +47279,7 @@ } }, { - "pk": 147, + "pk": 104, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39469285844523, @@ -58836,7 +47304,7 @@ } }, { - "pk": 148, + "pk": 105, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39396858311764, @@ -58861,7 +47329,7 @@ } }, { - "pk": 149, + "pk": 106, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39574620560732, @@ -58886,7 +47354,7 @@ } }, { - "pk": 150, + "pk": 107, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39321696939602, @@ -58911,7 +47379,7 @@ } }, { - "pk": 151, + "pk": 108, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39344954020884, @@ -58936,7 +47404,7 @@ } }, { - "pk": 152, + "pk": 109, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39608221307662, @@ -58961,7 +47429,7 @@ } }, { - "pk": 153, + "pk": 110, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38972919431605, @@ -58986,7 +47454,7 @@ } }, { - "pk": 154, + "pk": 111, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39162132937735, @@ -59011,7 +47479,7 @@ } }, { - "pk": 155, + "pk": 112, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39627187532299, @@ -59036,7 +47504,7 @@ } }, { - "pk": 156, + "pk": 113, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38966820794358, @@ -59061,7 +47529,7 @@ } }, { - "pk": 157, + "pk": 114, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.38677385018602, @@ -59086,7 +47554,7 @@ } }, { - "pk": 158, + "pk": 115, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39914122655434, @@ -59111,7 +47579,7 @@ } }, { - "pk": 159, + "pk": 116, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39272314981066, @@ -59136,7 +47604,7 @@ } }, { - "pk": 160, + "pk": 117, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39321432189529, @@ -59161,7 +47629,7 @@ } }, { - "pk": 161, + "pk": 118, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39349185015675, @@ -59186,7 +47654,7 @@ } }, { - "pk": 162, + "pk": 119, "model": "pgd_core.sidechain_tyr", "fields": { "CG_CD2": 1.39015433646072, @@ -59225,99 +47693,99 @@ "pk": 2, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53534059431876, - "CB_CG1": 1.50889118463088, - "CA_CB_CG2": 110.168892889797, - "CG1_CB_CG2": 111.289242318444, - "CA_CB_CG1": 113.590021928024 + "CB_CG2": 1.51151467495941, + "CB_CG1": 1.55653411453524, + "CA_CB_CG2": 108.349345581816, + "CG1_CB_CG2": 110.103553116328, + "CA_CB_CG1": 109.344481670671 } }, { "pk": 3, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.51007581248803, - "CB_CG1": 1.54049383142163, - "CA_CB_CG2": 110.757305514826, - "CG1_CB_CG2": 110.70126183321, - "CA_CB_CG1": 111.271210524106 + "CB_CG2": 1.50590316203508, + "CB_CG1": 1.54573211831432, + "CA_CB_CG2": 111.88088857336, + "CG1_CB_CG2": 111.707577073313, + "CA_CB_CG1": 110.733430495751 } }, { "pk": 4, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.51245742313089, - "CB_CG1": 1.53335193677709, - "CA_CB_CG2": 111.136152322969, - "CG1_CB_CG2": 109.95043199202, - "CA_CB_CG1": 108.834154101878 + "CB_CG2": 1.50864037623021, + "CB_CG1": 1.55306804654366, + "CA_CB_CG2": 109.884271089636, + "CG1_CB_CG2": 111.850137253935, + "CA_CB_CG1": 111.058876098975 } }, { "pk": 5, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52980057414591, - "CB_CG1": 1.51985682760395, - "CA_CB_CG2": 110.576436046795, - "CG1_CB_CG2": 109.875199922572, - "CA_CB_CG1": 111.42070905392 + "CB_CG2": 1.52603999621688, + "CB_CG1": 1.55512157615749, + "CA_CB_CG2": 110.026904664366, + "CG1_CB_CG2": 110.74613982281, + "CA_CB_CG1": 111.433361556491 } }, { "pk": 6, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52082674894543, - "CB_CG1": 1.52603984779426, - "CA_CB_CG2": 111.790258217449, - "CG1_CB_CG2": 109.951531847086, - "CA_CB_CG1": 114.90824600145 + "CB_CG2": 1.53534059431876, + "CB_CG1": 1.50889118463088, + "CA_CB_CG2": 110.168892889797, + "CG1_CB_CG2": 111.289242318444, + "CA_CB_CG1": 113.590021928024 } }, { "pk": 7, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.51706699481697, - "CB_CG1": 1.54051192738086, - "CA_CB_CG2": 112.269116187616, - "CG1_CB_CG2": 110.271879776409, - "CA_CB_CG1": 109.528244267553 + "CB_CG2": 1.49054680890527, + "CB_CG1": 1.51293401775987, + "CA_CB_CG2": 111.49453691513, + "CG1_CB_CG2": 108.749692068856, + "CA_CB_CG1": 109.502212675833 } }, { "pk": 8, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53107064393246, - "CB_CG1": 1.52865545610992, - "CA_CB_CG2": 108.584820713291, - "CG1_CB_CG2": 110.207011263866, - "CA_CB_CG1": 113.556872951311 + "CB_CG2": 1.52026238383963, + "CB_CG1": 1.52136976409749, + "CA_CB_CG2": 110.416627342948, + "CG1_CB_CG2": 110.797857818045, + "CA_CB_CG1": 110.34629433207 } }, { "pk": 9, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.51151467495941, - "CB_CG1": 1.55653411453524, - "CA_CB_CG2": 108.349345581816, - "CG1_CB_CG2": 110.103553116328, - "CA_CB_CG1": 109.344481670671 + "CB_CG2": 1.53598855986278, + "CB_CG1": 1.52222527509947, + "CA_CB_CG2": 111.636539792493, + "CG1_CB_CG2": 111.268546405354, + "CA_CB_CG1": 111.178339358914 } }, { "pk": 10, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.49054680890527, - "CB_CG1": 1.51293401775987, - "CA_CB_CG2": 111.49453691513, - "CG1_CB_CG2": 108.749692068856, - "CA_CB_CG1": 109.502212675833 + "CB_CG2": 1.51007581248803, + "CB_CG1": 1.54049383142163, + "CA_CB_CG2": 110.757305514826, + "CG1_CB_CG2": 110.70126183321, + "CA_CB_CG1": 111.271210524106 } }, { @@ -59335,132 +47803,132 @@ "pk": 12, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53193153375677, - "CB_CG1": 1.46870455679101, - "CA_CB_CG2": 113.08057321319, - "CG1_CB_CG2": 114.198231081965, - "CA_CB_CG1": 110.114282632577 + "CB_CG2": 1.55850794884478, + "CB_CG1": 1.54561190211605, + "CA_CB_CG2": 110.012324760207, + "CG1_CB_CG2": 112.674366668932, + "CA_CB_CG1": 111.81480747316 } }, { "pk": 13, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.50590316203508, - "CB_CG1": 1.54573211831432, - "CA_CB_CG2": 111.88088857336, - "CG1_CB_CG2": 111.707577073313, - "CA_CB_CG1": 110.733430495751 + "CB_CG2": 1.51768248937365, + "CB_CG1": 1.51979007402695, + "CA_CB_CG2": 110.802526384415, + "CG1_CB_CG2": 109.251850446399, + "CA_CB_CG1": 110.975649026668 } }, { "pk": 14, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.50864037623021, - "CB_CG1": 1.55306804654366, - "CA_CB_CG2": 109.884271089636, - "CG1_CB_CG2": 111.850137253935, - "CA_CB_CG1": 111.058876098975 + "CB_CG2": 1.51421700179534, + "CB_CG1": 1.50260999663356, + "CA_CB_CG2": 110.624538873393, + "CG1_CB_CG2": 109.019218757054, + "CA_CB_CG1": 110.429486299257 } }, { "pk": 15, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52603999621688, - "CB_CG1": 1.55512157615749, - "CA_CB_CG2": 110.026904664366, - "CG1_CB_CG2": 110.74613982281, - "CA_CB_CG1": 111.433361556491 + "CB_CG2": 1.53800628855374, + "CB_CG1": 1.50905812782974, + "CA_CB_CG2": 111.357572007367, + "CG1_CB_CG2": 110.238824511646, + "CA_CB_CG1": 110.369903497785 } }, { "pk": 16, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52026238383963, - "CB_CG1": 1.52136976409749, - "CA_CB_CG2": 110.416627342948, - "CG1_CB_CG2": 110.797857818045, - "CA_CB_CG1": 110.34629433207 + "CB_CG2": 1.51245742313089, + "CB_CG1": 1.53335193677709, + "CA_CB_CG2": 111.136152322969, + "CG1_CB_CG2": 109.95043199202, + "CA_CB_CG1": 108.834154101878 } }, { "pk": 17, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53598855986278, - "CB_CG1": 1.52222527509947, - "CA_CB_CG2": 111.636539792493, - "CG1_CB_CG2": 111.268546405354, - "CA_CB_CG1": 111.178339358914 + "CB_CG2": 1.52980057414591, + "CB_CG1": 1.51985682760395, + "CA_CB_CG2": 110.576436046795, + "CG1_CB_CG2": 109.875199922572, + "CA_CB_CG1": 111.42070905392 } }, { "pk": 18, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.55850794884478, - "CB_CG1": 1.54561190211605, - "CA_CB_CG2": 110.012324760207, - "CG1_CB_CG2": 112.674366668932, - "CA_CB_CG1": 111.81480747316 + "CB_CG2": 1.53585577461568, + "CB_CG1": 1.55531343153091, + "CA_CB_CG2": 110.510745016243, + "CG1_CB_CG2": 111.168555214865, + "CA_CB_CG1": 110.788888821373 } }, { "pk": 19, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.51768248937365, - "CB_CG1": 1.51979007402695, - "CA_CB_CG2": 110.802526384415, - "CG1_CB_CG2": 109.251850446399, - "CA_CB_CG1": 110.975649026668 + "CB_CG2": 1.52082674894543, + "CB_CG1": 1.52603984779426, + "CA_CB_CG2": 111.790258217449, + "CG1_CB_CG2": 109.951531847086, + "CA_CB_CG1": 114.90824600145 } }, { "pk": 20, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.51421700179534, - "CB_CG1": 1.50260999663356, - "CA_CB_CG2": 110.624538873393, - "CG1_CB_CG2": 109.019218757054, - "CA_CB_CG1": 110.429486299257 + "CB_CG2": 1.53995711386406, + "CB_CG1": 1.54968055983404, + "CA_CB_CG2": 109.651509201217, + "CG1_CB_CG2": 110.597882170139, + "CA_CB_CG1": 111.398765006874 } }, { "pk": 21, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53800628855374, - "CB_CG1": 1.50905812782974, - "CA_CB_CG2": 111.357572007367, - "CG1_CB_CG2": 110.238824511646, - "CA_CB_CG1": 110.369903497785 + "CB_CG2": 1.51706699481697, + "CB_CG1": 1.54051192738086, + "CA_CB_CG2": 112.269116187616, + "CG1_CB_CG2": 110.271879776409, + "CA_CB_CG1": 109.528244267553 } }, { "pk": 22, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53585577461568, - "CB_CG1": 1.55531343153091, - "CA_CB_CG2": 110.510745016243, - "CG1_CB_CG2": 111.168555214865, - "CA_CB_CG1": 110.788888821373 + "CB_CG2": 1.53107064393246, + "CB_CG1": 1.52865545610992, + "CA_CB_CG2": 108.584820713291, + "CG1_CB_CG2": 110.207011263866, + "CA_CB_CG1": 113.556872951311 } }, { "pk": 23, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53995711386406, - "CB_CG1": 1.54968055983404, - "CA_CB_CG2": 109.651509201217, - "CG1_CB_CG2": 110.597882170139, - "CA_CB_CG1": 111.398765006874 + "CB_CG2": 1.53193153375677, + "CB_CG1": 1.46870455679101, + "CA_CB_CG2": 113.08057321319, + "CG1_CB_CG2": 114.198231081965, + "CA_CB_CG1": 110.114282632577 } }, { @@ -59720,159 +48188,126 @@ "pk": 47, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.5175203361574, - "CB_CG1": 1.53686658552625, - "CA_CB_CG2": 110.064991573833, - "CG1_CB_CG2": 110.974266205842, - "CA_CB_CG1": 111.827434167532 + "CB_CG2": 1.5489692237709, + "CB_CG1": 1.52205410720085, + "CA_CB_CG2": 111.14934871209, + "CG1_CB_CG2": 111.38787362772, + "CA_CB_CG1": 110.477671252534 } }, { "pk": 48, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.54699492291176, - "CB_CG1": 1.554217512808, - "CA_CB_CG2": 110.472077669456, - "CG1_CB_CG2": 110.17611679269, - "CA_CB_CG1": 112.397021364206 + "CB_CG2": 1.54262733775997, + "CB_CG1": 1.52098555318098, + "CA_CB_CG2": 108.34779992325, + "CG1_CB_CG2": 109.588872499227, + "CA_CB_CG1": 111.793421220321 } }, { "pk": 49, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.5559890765027, - "CB_CG1": 1.52787775564446, - "CA_CB_CG2": 108.966844300238, - "CG1_CB_CG2": 110.601433531201, - "CA_CB_CG1": 110.109695497102 + "CB_CG2": 1.5471033531713, + "CB_CG1": 1.5126349711062, + "CA_CB_CG2": 110.05435895478, + "CG1_CB_CG2": 110.687220435632, + "CA_CB_CG1": 109.874889965093 } }, { "pk": 50, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52885951641413, - "CB_CG1": 1.53270423340292, - "CA_CB_CG2": 110.815279180253, - "CG1_CB_CG2": 111.971329945461, - "CA_CB_CG1": 111.262663382823 + "CB_CG2": 1.55136050504946, + "CB_CG1": 1.51729765937663, + "CA_CB_CG2": 109.697873527045, + "CG1_CB_CG2": 110.887040472473, + "CA_CB_CG1": 111.102346448082 } }, { "pk": 51, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52210605966372, - "CB_CG1": 1.55019648178476, - "CA_CB_CG2": 109.648508491951, - "CG1_CB_CG2": 110.464773606371, - "CA_CB_CG1": 108.906492676915 + "CB_CG2": 1.50878722390966, + "CB_CG1": 1.54925641993961, + "CA_CB_CG2": 109.789213492539, + "CG1_CB_CG2": 110.124391451434, + "CA_CB_CG1": 112.499205649003 } }, { "pk": 52, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.54082202324985, - "CB_CG1": 1.53554188028452, - "CA_CB_CG2": 111.761763594191, - "CG1_CB_CG2": 110.107871186904, - "CA_CB_CG1": 110.740003053845 + "CB_CG2": 1.53065843966556, + "CB_CG1": 1.53305159993535, + "CA_CB_CG2": 110.110680562824, + "CG1_CB_CG2": 110.607317867629, + "CA_CB_CG1": 111.819806147591 } }, { "pk": 53, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.53504934206049, - "CB_CG1": 1.54329197106505, - "CA_CB_CG2": 110.483545238532, - "CG1_CB_CG2": 111.540721373399, - "CA_CB_CG1": 110.816807576917 + "CB_CG2": 1.531505381995, + "CB_CG1": 1.52779441028383, + "CA_CB_CG2": 111.2122810554, + "CG1_CB_CG2": 111.604222340196, + "CA_CB_CG1": 109.782628771916 } }, { "pk": 54, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52117393619939, - "CB_CG1": 1.52884455859278, - "CA_CB_CG2": 110.437458827026, - "CG1_CB_CG2": 110.870029170548, - "CA_CB_CG1": 110.542007815034 + "CB_CG2": 1.53765308286257, + "CB_CG1": 1.52498621161106, + "CA_CB_CG2": 109.839219759893, + "CG1_CB_CG2": 112.25854828306, + "CA_CB_CG1": 110.588038666567 } }, { "pk": 55, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.50643566155755, - "CB_CG1": 1.54070962151637, - "CA_CB_CG2": 111.186502500547, - "CG1_CB_CG2": 109.727789018715, - "CA_CB_CG1": 110.993130849797 + "CB_CG2": 1.51675313962559, + "CB_CG1": 1.53277518651959, + "CA_CB_CG2": 110.941565081051, + "CG1_CB_CG2": 109.743071188619, + "CA_CB_CG1": 109.880613250197 } }, { "pk": 56, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52481082218236, - "CB_CG1": 1.56708286489894, - "CA_CB_CG2": 111.651194014806, - "CG1_CB_CG2": 111.828547068096, - "CA_CB_CG1": 111.881197668293 + "CB_CG2": 1.52006053213268, + "CB_CG1": 1.5311805466253, + "CA_CB_CG2": 110.966555929563, + "CG1_CB_CG2": 108.58592116084, + "CA_CB_CG1": 110.675770804455 } }, { "pk": 57, "model": "pgd_core.sidechain_val", "fields": { - "CB_CG2": 1.52129173593882, - "CB_CG1": 1.55336389209107, - "CA_CB_CG2": 109.443485620273, - "CG1_CB_CG2": 109.636719404185, - "CA_CB_CG1": 110.345062781733 + "CB_CG2": 1.51757893725608, + "CB_CG1": 1.51264928072129, + "CA_CB_CG2": 111.346919592406, + "CG1_CB_CG2": 111.233508927646, + "CA_CB_CG1": 110.833062614935 } }, { "pk": 58, "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.54937994044725, - "CB_CG1": 1.52545470869749, - "CA_CB_CG2": 111.000508709364, - "CG1_CB_CG2": 110.205549364094, - "CA_CB_CG1": 110.146767666996 - } -}, -{ - "pk": 59, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51690575024906, - "CB_CG1": 1.5241440896581, - "CA_CB_CG2": 109.194454555524, - "CG1_CB_CG2": 110.341715898392, - "CA_CB_CG1": 111.486995533207 - } -}, -{ - "pk": 60, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.50989398848579, - "CB_CG1": 1.52082802835407, - "CA_CB_CG2": 109.951778351338, - "CG1_CB_CG2": 110.053840483964, - "CA_CB_CG1": 110.981745196136 - } -}, -{ - "pk": 61, - "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52214431212987, "CB_CG1": 1.52258857374742, @@ -59882,7 +48317,7 @@ } }, { - "pk": 62, + "pk": 59, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5279193175873, @@ -59893,7 +48328,7 @@ } }, { - "pk": 63, + "pk": 60, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53050660129939, @@ -59904,7 +48339,7 @@ } }, { - "pk": 64, + "pk": 61, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51593552019085, @@ -59915,7 +48350,7 @@ } }, { - "pk": 65, + "pk": 62, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51332030747947, @@ -59926,40 +48361,7 @@ } }, { - "pk": 66, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.57585323715592, - "CB_CG1": 1.52303697290472, - "CA_CB_CG2": 108.344669513308, - "CG1_CB_CG2": 110.867510844234, - "CA_CB_CG1": 111.954407188052 - } -}, -{ - "pk": 67, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.55920869627564, - "CB_CG1": 1.50198439124556, - "CA_CB_CG2": 110.409528633485, - "CG1_CB_CG2": 110.501367762606, - "CA_CB_CG1": 111.78687847051 - } -}, -{ - "pk": 68, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51926156530982, - "CB_CG1": 1.51434293378987, - "CA_CB_CG2": 110.627408532969, - "CG1_CB_CG2": 109.739718512305, - "CA_CB_CG1": 111.590559958658 - } -}, -{ - "pk": 69, + "pk": 63, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50731547878332, @@ -59970,7 +48372,7 @@ } }, { - "pk": 70, + "pk": 64, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5130899303418, @@ -59981,18 +48383,7 @@ } }, { - "pk": 71, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.56017615552377, - "CB_CG1": 1.53548578644251, - "CA_CB_CG2": 110.142492755078, - "CG1_CB_CG2": 112.592406401826, - "CA_CB_CG1": 111.174531559843 - } -}, -{ - "pk": 72, + "pk": 65, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52658423089141, @@ -60003,7 +48394,7 @@ } }, { - "pk": 73, + "pk": 66, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.49547314958051, @@ -60014,18 +48405,7 @@ } }, { - "pk": 74, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.5570997962514, - "CB_CG1": 1.51198227689887, - "CA_CB_CG2": 109.591780517779, - "CG1_CB_CG2": 112.19814508436, - "CA_CB_CG1": 110.468139658937 - } -}, -{ - "pk": 75, + "pk": 67, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52129666147424, @@ -60036,7 +48416,7 @@ } }, { - "pk": 76, + "pk": 68, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51174879549126, @@ -60047,29 +48427,7 @@ } }, { - "pk": 77, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53395507871094, - "CB_CG1": 1.53501737194862, - "CA_CB_CG2": 110.324474973034, - "CG1_CB_CG2": 110.495965244916, - "CA_CB_CG1": 110.233567707124 - } -}, -{ - "pk": 78, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51702614251882, - "CB_CG1": 1.56781246657165, - "CA_CB_CG2": 109.935958790498, - "CG1_CB_CG2": 112.335467753608, - "CA_CB_CG1": 110.502411291349 - } -}, -{ - "pk": 79, + "pk": 69, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51000232713975, @@ -60080,29 +48438,7 @@ } }, { - "pk": 80, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.50853895292087, - "CB_CG1": 1.52176441991181, - "CA_CB_CG2": 110.490233009259, - "CG1_CB_CG2": 109.814752284767, - "CA_CB_CG1": 111.301291927796 - } -}, -{ - "pk": 81, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51327584023566, - "CB_CG1": 1.51816805304586, - "CA_CB_CG2": 109.043984321092, - "CG1_CB_CG2": 109.694924405728, - "CA_CB_CG1": 110.270034814944 - } -}, -{ - "pk": 82, + "pk": 70, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52293871367342, @@ -60113,18 +48449,7 @@ } }, { - "pk": 83, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.55130936180669, - "CB_CG1": 1.54921715878381, - "CA_CB_CG2": 110.704624218114, - "CG1_CB_CG2": 110.823309380257, - "CA_CB_CG1": 112.079240300945 - } -}, -{ - "pk": 84, + "pk": 71, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51814543299749, @@ -60135,7 +48460,7 @@ } }, { - "pk": 85, + "pk": 72, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50358621396579, @@ -60146,7 +48471,7 @@ } }, { - "pk": 86, + "pk": 73, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52600593559795, @@ -60157,18 +48482,7 @@ } }, { - "pk": 87, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.52153214029843, - "CB_CG1": 1.55431601297548, - "CA_CB_CG2": 110.781583969561, - "CG1_CB_CG2": 110.754571930104, - "CA_CB_CG1": 111.066268870842 - } -}, -{ - "pk": 88, + "pk": 74, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51601477639783, @@ -60179,7 +48493,7 @@ } }, { - "pk": 89, + "pk": 75, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51692823001509, @@ -60190,7 +48504,7 @@ } }, { - "pk": 90, + "pk": 76, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52584223650858, @@ -60201,18 +48515,7 @@ } }, { - "pk": 91, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.57112668278946, - "CB_CG1": 1.52847945030286, - "CA_CB_CG2": 109.923270053805, - "CG1_CB_CG2": 111.110157455415, - "CA_CB_CG1": 111.07713454032 - } -}, -{ - "pk": 92, + "pk": 77, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52152558056784, @@ -60223,18 +48526,7 @@ } }, { - "pk": 93, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53223351538717, - "CB_CG1": 1.53963027447481, - "CA_CB_CG2": 110.08734660484, - "CG1_CB_CG2": 109.546166104522, - "CA_CB_CG1": 111.092701139936 - } -}, -{ - "pk": 94, + "pk": 78, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52335883032101, @@ -60245,18 +48537,7 @@ } }, { - "pk": 95, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53113972523281, - "CB_CG1": 1.50498267327251, - "CA_CB_CG2": 109.817514750421, - "CG1_CB_CG2": 110.806808478931, - "CA_CB_CG1": 109.578217221834 - } -}, -{ - "pk": 96, + "pk": 79, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51547001738925, @@ -60267,18 +48548,7 @@ } }, { - "pk": 97, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51311314804381, - "CB_CG1": 1.55277359640824, - "CA_CB_CG2": 111.436004272535, - "CG1_CB_CG2": 112.131217230417, - "CA_CB_CG1": 109.71112969873 - } -}, -{ - "pk": 98, + "pk": 80, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.4913015171038, @@ -60289,7 +48559,7 @@ } }, { - "pk": 99, + "pk": 81, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52572113647333, @@ -60300,18 +48570,7 @@ } }, { - "pk": 100, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51340749001604, - "CB_CG1": 1.54396663962582, - "CA_CB_CG2": 108.082611105743, - "CG1_CB_CG2": 112.753643003652, - "CA_CB_CG1": 111.306641627138 - } -}, -{ - "pk": 101, + "pk": 82, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50870370816453, @@ -60322,7 +48581,7 @@ } }, { - "pk": 102, + "pk": 83, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51747463657466, @@ -60333,7 +48592,7 @@ } }, { - "pk": 103, + "pk": 84, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52139030098933, @@ -60344,29 +48603,7 @@ } }, { - "pk": 104, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.54930488307445, - "CB_CG1": 1.52506980330091, - "CA_CB_CG2": 111.164621726727, - "CG1_CB_CG2": 112.74515328628, - "CA_CB_CG1": 110.735482792213 - } -}, -{ - "pk": 105, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.57064140134007, - "CB_CG1": 1.52231790152905, - "CA_CB_CG2": 109.394667481629, - "CG1_CB_CG2": 111.234631765504, - "CA_CB_CG1": 110.910783867578 - } -}, -{ - "pk": 106, + "pk": 85, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52986023126644, @@ -60377,29 +48614,7 @@ } }, { - "pk": 107, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.5336188482106, - "CB_CG1": 1.54442183068995, - "CA_CB_CG2": 110.937306070513, - "CG1_CB_CG2": 110.319123364365, - "CA_CB_CG1": 111.420643538307 - } -}, -{ - "pk": 108, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53420589954765, - "CB_CG1": 1.54016815284255, - "CA_CB_CG2": 110.972596094746, - "CG1_CB_CG2": 111.139088479401, - "CA_CB_CG1": 109.514669217237 - } -}, -{ - "pk": 109, + "pk": 86, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51591970192003, @@ -60410,7 +48625,7 @@ } }, { - "pk": 110, + "pk": 87, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50919902918858, @@ -60421,29 +48636,7 @@ } }, { - "pk": 111, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.5263700959494, - "CB_CG1": 1.52397967944798, - "CA_CB_CG2": 111.146193523431, - "CG1_CB_CG2": 111.161638366674, - "CA_CB_CG1": 111.75782444353 - } -}, -{ - "pk": 112, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51628708448844, - "CB_CG1": 1.53122886277672, - "CA_CB_CG2": 109.593181264656, - "CG1_CB_CG2": 111.434431023488, - "CA_CB_CG1": 111.082812350152 - } -}, -{ - "pk": 113, + "pk": 88, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50384088589023, @@ -60454,7 +48647,7 @@ } }, { - "pk": 114, + "pk": 89, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51252951169447, @@ -60465,7 +48658,7 @@ } }, { - "pk": 115, + "pk": 90, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.49790202086584, @@ -60476,7 +48669,7 @@ } }, { - "pk": 116, + "pk": 91, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5003331268585, @@ -60487,7 +48680,7 @@ } }, { - "pk": 117, + "pk": 92, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5084771251469, @@ -60498,7 +48691,7 @@ } }, { - "pk": 118, + "pk": 93, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5280336215846, @@ -60509,18 +48702,7 @@ } }, { - "pk": 119, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.50743314683272, - "CB_CG1": 1.56731456666141, - "CA_CB_CG2": 112.636289064983, - "CG1_CB_CG2": 110.258139834467, - "CA_CB_CG1": 110.697949894418 - } -}, -{ - "pk": 120, + "pk": 94, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52645869839351, @@ -60531,29 +48713,7 @@ } }, { - "pk": 121, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.49439760664123, - "CB_CG1": 1.53480343504603, - "CA_CB_CG2": 110.304413457156, - "CG1_CB_CG2": 110.096885155899, - "CA_CB_CG1": 111.069604891626 - } -}, -{ - "pk": 122, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.524605711909, - "CB_CG1": 1.54762582914697, - "CA_CB_CG2": 109.351228144322, - "CG1_CB_CG2": 111.694226888279, - "CA_CB_CG1": 110.676101473069 - } -}, -{ - "pk": 123, + "pk": 95, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51546181880658, @@ -60564,18 +48724,7 @@ } }, { - "pk": 124, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.55649859013634, - "CB_CG1": 1.53046540834497, - "CA_CB_CG2": 110.793345636253, - "CG1_CB_CG2": 112.043993077575, - "CA_CB_CG1": 110.412109612153 - } -}, -{ - "pk": 125, + "pk": 96, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52059697093615, @@ -60586,18 +48735,7 @@ } }, { - "pk": 126, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.5201190455041, - "CB_CG1": 1.52552247483376, - "CA_CB_CG2": 110.134623442847, - "CG1_CB_CG2": 111.102298950691, - "CA_CB_CG1": 109.647446922884 - } -}, -{ - "pk": 127, + "pk": 97, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51723350043072, @@ -60608,18 +48746,7 @@ } }, { - "pk": 128, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.56177086276072, - "CB_CG1": 1.55071966774049, - "CA_CB_CG2": 110.110306904821, - "CG1_CB_CG2": 111.688899017328, - "CA_CB_CG1": 108.874372410346 - } -}, -{ - "pk": 129, + "pk": 98, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50772934803583, @@ -60630,18 +48757,7 @@ } }, { - "pk": 130, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53871242085003, - "CB_CG1": 1.51880432765194, - "CA_CB_CG2": 110.039273020702, - "CG1_CB_CG2": 110.350808754369, - "CA_CB_CG1": 110.973415824016 - } -}, -{ - "pk": 131, + "pk": 99, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5210687871962, @@ -60652,7 +48768,7 @@ } }, { - "pk": 132, + "pk": 100, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53702244119794, @@ -60663,7 +48779,7 @@ } }, { - "pk": 133, + "pk": 101, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50381379719978, @@ -60674,7 +48790,7 @@ } }, { - "pk": 134, + "pk": 102, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51923918229422, @@ -60685,7 +48801,7 @@ } }, { - "pk": 135, + "pk": 103, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5270417827411, @@ -60696,18 +48812,7 @@ } }, { - "pk": 136, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.54022100133766, - "CB_CG1": 1.53065885065077, - "CA_CB_CG2": 110.467689949326, - "CG1_CB_CG2": 110.884454279406, - "CA_CB_CG1": 110.967137299124 - } -}, -{ - "pk": 137, + "pk": 104, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50522265851721, @@ -60718,18 +48823,7 @@ } }, { - "pk": 138, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.5631441968863, - "CB_CG1": 1.52396035276552, - "CA_CB_CG2": 112.351310296639, - "CG1_CB_CG2": 111.493686947319, - "CA_CB_CG1": 110.542322750174 - } -}, -{ - "pk": 139, + "pk": 105, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.46962474277431, @@ -60740,7 +48834,7 @@ } }, { - "pk": 140, + "pk": 106, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51822064038242, @@ -60751,7 +48845,7 @@ } }, { - "pk": 141, + "pk": 107, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52272512327784, @@ -60762,18 +48856,7 @@ } }, { - "pk": 142, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.55636904739758, - "CB_CG1": 1.54350157607914, - "CA_CB_CG2": 111.638446289349, - "CG1_CB_CG2": 111.537488247907, - "CA_CB_CG1": 110.995004825943 - } -}, -{ - "pk": 143, + "pk": 108, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51109445217187, @@ -60784,18 +48867,7 @@ } }, { - "pk": 144, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.49695629043199, - "CB_CG1": 1.49162488379171, - "CA_CB_CG2": 110.871770179201, - "CG1_CB_CG2": 110.542467514464, - "CA_CB_CG1": 109.552051964743 - } -}, -{ - "pk": 145, + "pk": 109, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51709056092397, @@ -60806,7 +48878,7 @@ } }, { - "pk": 146, + "pk": 110, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52884131425577, @@ -60817,29 +48889,7 @@ } }, { - "pk": 147, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51277283877915, - "CB_CG1": 1.5039343720131, - "CA_CB_CG2": 109.523588346944, - "CG1_CB_CG2": 110.323481859298, - "CA_CB_CG1": 110.09672688598 - } -}, -{ - "pk": 148, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53277599513659, - "CB_CG1": 1.50870279385036, - "CA_CB_CG2": 110.207844846518, - "CG1_CB_CG2": 112.015006260126, - "CA_CB_CG1": 110.746549900084 - } -}, -{ - "pk": 149, + "pk": 111, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52601475729822, @@ -60850,7 +48900,7 @@ } }, { - "pk": 150, + "pk": 112, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51263933828262, @@ -60861,7 +48911,7 @@ } }, { - "pk": 151, + "pk": 113, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53790441615569, @@ -60872,18 +48922,7 @@ } }, { - "pk": 152, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.49806943479234, - "CB_CG1": 1.5087038963417, - "CA_CB_CG2": 110.239659720718, - "CG1_CB_CG2": 111.274614130168, - "CA_CB_CG1": 111.010142981354 - } -}, -{ - "pk": 153, + "pk": 114, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51375379897311, @@ -60894,18 +48933,7 @@ } }, { - "pk": 154, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.54959526677216, - "CB_CG1": 1.5010413517835, - "CA_CB_CG2": 110.219206693791, - "CG1_CB_CG2": 111.361055986231, - "CA_CB_CG1": 111.863199018577 - } -}, -{ - "pk": 155, + "pk": 115, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.54424519572085, @@ -60916,29 +48944,7 @@ } }, { - "pk": 156, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.50364491555528, - "CB_CG1": 1.5384367909886, - "CA_CB_CG2": 111.250496870293, - "CG1_CB_CG2": 110.911780840495, - "CA_CB_CG1": 109.990155249712 - } -}, -{ - "pk": 157, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.5489692237709, - "CB_CG1": 1.52205410720085, - "CA_CB_CG2": 111.14934871209, - "CG1_CB_CG2": 111.38787362772, - "CA_CB_CG1": 110.477671252534 - } -}, -{ - "pk": 158, + "pk": 116, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52296379633597, @@ -60949,18 +48955,7 @@ } }, { - "pk": 159, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.54262733775997, - "CB_CG1": 1.52098555318098, - "CA_CB_CG2": 108.34779992325, - "CG1_CB_CG2": 109.588872499227, - "CA_CB_CG1": 111.793421220321 - } -}, -{ - "pk": 160, + "pk": 117, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52466206296706, @@ -60971,18 +48966,7 @@ } }, { - "pk": 161, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.5471033531713, - "CB_CG1": 1.5126349711062, - "CA_CB_CG2": 110.05435895478, - "CG1_CB_CG2": 110.687220435632, - "CA_CB_CG1": 109.874889965093 - } -}, -{ - "pk": 162, + "pk": 118, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51960469490418, @@ -60993,7 +48977,7 @@ } }, { - "pk": 163, + "pk": 119, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5099041709555, @@ -61004,7 +48988,7 @@ } }, { - "pk": 164, + "pk": 120, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53979143386526, @@ -61015,18 +48999,7 @@ } }, { - "pk": 165, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.55136050504946, - "CB_CG1": 1.51729765937663, - "CA_CB_CG2": 109.697873527045, - "CG1_CB_CG2": 110.887040472473, - "CA_CB_CG1": 111.102346448082 - } -}, -{ - "pk": 166, + "pk": 121, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53828755575304, @@ -61037,51 +49010,7 @@ } }, { - "pk": 167, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.50878722390966, - "CB_CG1": 1.54925641993961, - "CA_CB_CG2": 109.789213492539, - "CG1_CB_CG2": 110.124391451434, - "CA_CB_CG1": 112.499205649003 - } -}, -{ - "pk": 168, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53065843966556, - "CB_CG1": 1.53305159993535, - "CA_CB_CG2": 110.110680562824, - "CG1_CB_CG2": 110.607317867629, - "CA_CB_CG1": 111.819806147591 - } -}, -{ - "pk": 169, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.531505381995, - "CB_CG1": 1.52779441028383, - "CA_CB_CG2": 111.2122810554, - "CG1_CB_CG2": 111.604222340196, - "CA_CB_CG1": 109.782628771916 - } -}, -{ - "pk": 170, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.53765308286257, - "CB_CG1": 1.52498621161106, - "CA_CB_CG2": 109.839219759893, - "CG1_CB_CG2": 112.25854828306, - "CA_CB_CG1": 110.588038666567 - } -}, -{ - "pk": 171, + "pk": 122, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51703947209701, @@ -61092,7 +49021,7 @@ } }, { - "pk": 172, + "pk": 123, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52629444683997, @@ -61103,29 +49032,7 @@ } }, { - "pk": 173, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51675313962559, - "CB_CG1": 1.53277518651959, - "CA_CB_CG2": 110.941565081051, - "CG1_CB_CG2": 109.743071188619, - "CA_CB_CG1": 109.880613250197 - } -}, -{ - "pk": 174, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.52006053213268, - "CB_CG1": 1.5311805466253, - "CA_CB_CG2": 110.966555929563, - "CG1_CB_CG2": 108.58592116084, - "CA_CB_CG1": 110.675770804455 - } -}, -{ - "pk": 175, + "pk": 124, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52363886946597, @@ -61136,7 +49043,7 @@ } }, { - "pk": 176, + "pk": 125, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5229182713753, @@ -61147,7 +49054,7 @@ } }, { - "pk": 177, + "pk": 126, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50986953940398, @@ -61158,18 +49065,7 @@ } }, { - "pk": 178, - "model": "pgd_core.sidechain_val", - "fields": { - "CB_CG2": 1.51757893725608, - "CB_CG1": 1.51264928072129, - "CA_CB_CG2": 111.346919592406, - "CG1_CB_CG2": 111.233508927646, - "CA_CB_CG1": 110.833062614935 - } -}, -{ - "pk": 179, + "pk": 127, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.54177328581871, @@ -61180,7 +49076,7 @@ } }, { - "pk": 180, + "pk": 128, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50729157974657, @@ -61191,7 +49087,7 @@ } }, { - "pk": 181, + "pk": 129, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52101011729014, @@ -61202,7 +49098,7 @@ } }, { - "pk": 182, + "pk": 130, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52127206051659, @@ -61213,7 +49109,7 @@ } }, { - "pk": 183, + "pk": 131, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.48698540075185, @@ -61224,7 +49120,7 @@ } }, { - "pk": 184, + "pk": 132, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52001503181067, @@ -61235,7 +49131,7 @@ } }, { - "pk": 185, + "pk": 133, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52507908458777, @@ -61246,7 +49142,7 @@ } }, { - "pk": 186, + "pk": 134, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52852308993115, @@ -61257,7 +49153,7 @@ } }, { - "pk": 187, + "pk": 135, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51753339255549, @@ -61268,7 +49164,7 @@ } }, { - "pk": 188, + "pk": 136, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5547418122301, @@ -61279,7 +49175,7 @@ } }, { - "pk": 189, + "pk": 137, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52712680000955, @@ -61290,7 +49186,7 @@ } }, { - "pk": 190, + "pk": 138, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51456996124451, @@ -61301,7 +49197,7 @@ } }, { - "pk": 191, + "pk": 139, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51037476578757, @@ -61312,7 +49208,7 @@ } }, { - "pk": 192, + "pk": 140, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52235060559142, @@ -61323,7 +49219,7 @@ } }, { - "pk": 193, + "pk": 141, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50446792231688, @@ -61334,7 +49230,7 @@ } }, { - "pk": 194, + "pk": 142, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50672484168434, @@ -61345,7 +49241,7 @@ } }, { - "pk": 195, + "pk": 143, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51463836664048, @@ -61356,7 +49252,7 @@ } }, { - "pk": 196, + "pk": 144, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51501304620463, @@ -61367,7 +49263,7 @@ } }, { - "pk": 197, + "pk": 145, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52021296807683, @@ -61378,7 +49274,7 @@ } }, { - "pk": 198, + "pk": 146, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5137171900988, @@ -61389,7 +49285,7 @@ } }, { - "pk": 199, + "pk": 147, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52345324417154, @@ -61400,7 +49296,7 @@ } }, { - "pk": 200, + "pk": 148, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51831441470739, @@ -61411,7 +49307,7 @@ } }, { - "pk": 201, + "pk": 149, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51988211454295, @@ -61422,7 +49318,7 @@ } }, { - "pk": 202, + "pk": 150, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51700936468341, @@ -61433,7 +49329,7 @@ } }, { - "pk": 203, + "pk": 151, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53734646211802, @@ -61444,7 +49340,7 @@ } }, { - "pk": 204, + "pk": 152, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51128743610102, @@ -61455,7 +49351,7 @@ } }, { - "pk": 205, + "pk": 153, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53039745066976, @@ -61466,7 +49362,7 @@ } }, { - "pk": 206, + "pk": 154, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50901035475398, @@ -61477,7 +49373,7 @@ } }, { - "pk": 207, + "pk": 155, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51631713063433, @@ -61488,7 +49384,7 @@ } }, { - "pk": 208, + "pk": 156, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51444492927171, @@ -61499,7 +49395,7 @@ } }, { - "pk": 209, + "pk": 157, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50541399643822, @@ -61510,7 +49406,7 @@ } }, { - "pk": 210, + "pk": 158, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50440161358935, @@ -61521,7 +49417,7 @@ } }, { - "pk": 211, + "pk": 159, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50335078152808, @@ -61532,7 +49428,7 @@ } }, { - "pk": 212, + "pk": 160, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53925012837666, @@ -61543,7 +49439,7 @@ } }, { - "pk": 213, + "pk": 161, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52331230351405, @@ -61554,7 +49450,7 @@ } }, { - "pk": 214, + "pk": 162, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5075388650287, @@ -61565,7 +49461,7 @@ } }, { - "pk": 215, + "pk": 163, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5210394228633, @@ -61576,7 +49472,7 @@ } }, { - "pk": 216, + "pk": 164, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51806806694972, @@ -61587,7 +49483,7 @@ } }, { - "pk": 217, + "pk": 165, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52306691943433, @@ -61598,7 +49494,7 @@ } }, { - "pk": 218, + "pk": 166, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53260826543481, @@ -61609,7 +49505,7 @@ } }, { - "pk": 219, + "pk": 167, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52162166572354, @@ -61620,7 +49516,7 @@ } }, { - "pk": 220, + "pk": 168, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50808111917146, @@ -61631,7 +49527,7 @@ } }, { - "pk": 221, + "pk": 169, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50813580842444, @@ -61642,7 +49538,7 @@ } }, { - "pk": 222, + "pk": 170, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51388805796737, @@ -61653,7 +49549,7 @@ } }, { - "pk": 223, + "pk": 171, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51075728233971, @@ -61664,7 +49560,7 @@ } }, { - "pk": 224, + "pk": 172, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51871460283014, @@ -61675,7 +49571,7 @@ } }, { - "pk": 225, + "pk": 173, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51101844141564, @@ -61686,7 +49582,7 @@ } }, { - "pk": 226, + "pk": 174, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51976773490884, @@ -61697,7 +49593,7 @@ } }, { - "pk": 227, + "pk": 175, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51682998480113, @@ -61708,7 +49604,7 @@ } }, { - "pk": 228, + "pk": 176, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51662842436885, @@ -61719,7 +49615,7 @@ } }, { - "pk": 229, + "pk": 177, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52012597341538, @@ -61730,7 +49626,7 @@ } }, { - "pk": 230, + "pk": 178, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53045482319847, @@ -61741,7 +49637,7 @@ } }, { - "pk": 231, + "pk": 179, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50800702981351, @@ -61752,7 +49648,7 @@ } }, { - "pk": 232, + "pk": 180, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52316226959097, @@ -61763,7 +49659,7 @@ } }, { - "pk": 233, + "pk": 181, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52311853746893, @@ -61774,7 +49670,7 @@ } }, { - "pk": 234, + "pk": 182, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51704310815426, @@ -61785,7 +49681,7 @@ } }, { - "pk": 235, + "pk": 183, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.48594488408601, @@ -61796,7 +49692,7 @@ } }, { - "pk": 236, + "pk": 184, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52492783657517, @@ -61807,7 +49703,7 @@ } }, { - "pk": 237, + "pk": 185, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51843541610763, @@ -61818,7 +49714,7 @@ } }, { - "pk": 238, + "pk": 186, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50443913848097, @@ -61829,7 +49725,7 @@ } }, { - "pk": 239, + "pk": 187, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5278301471634, @@ -61840,7 +49736,7 @@ } }, { - "pk": 240, + "pk": 188, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51643561871207, @@ -61851,7 +49747,7 @@ } }, { - "pk": 241, + "pk": 189, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51215503953873, @@ -61862,7 +49758,7 @@ } }, { - "pk": 242, + "pk": 190, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51936304730623, @@ -61873,7 +49769,7 @@ } }, { - "pk": 243, + "pk": 191, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51744068344567, @@ -61884,7 +49780,7 @@ } }, { - "pk": 244, + "pk": 192, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52158902317915, @@ -61895,7 +49791,7 @@ } }, { - "pk": 245, + "pk": 193, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5127211959069, @@ -61906,7 +49802,7 @@ } }, { - "pk": 246, + "pk": 194, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52275059322984, @@ -61917,7 +49813,7 @@ } }, { - "pk": 247, + "pk": 195, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51273858567355, @@ -61928,7 +49824,7 @@ } }, { - "pk": 248, + "pk": 196, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51802858216109, @@ -61939,7 +49835,7 @@ } }, { - "pk": 249, + "pk": 197, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51249387305599, @@ -61950,7 +49846,7 @@ } }, { - "pk": 250, + "pk": 198, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50480249180222, @@ -61961,7 +49857,7 @@ } }, { - "pk": 251, + "pk": 199, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.49555921573805, @@ -61972,7 +49868,7 @@ } }, { - "pk": 252, + "pk": 200, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51191903934886, @@ -61983,7 +49879,7 @@ } }, { - "pk": 253, + "pk": 201, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5134512814411, @@ -61994,7 +49890,7 @@ } }, { - "pk": 254, + "pk": 202, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52562622318859, @@ -62005,7 +49901,7 @@ } }, { - "pk": 255, + "pk": 203, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52023509878433, @@ -62016,7 +49912,7 @@ } }, { - "pk": 256, + "pk": 204, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52077000076785, @@ -62027,7 +49923,7 @@ } }, { - "pk": 257, + "pk": 205, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50926242052005, @@ -62038,7 +49934,7 @@ } }, { - "pk": 258, + "pk": 206, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50696926975948, @@ -62049,7 +49945,7 @@ } }, { - "pk": 259, + "pk": 207, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51653077386638, @@ -62060,7 +49956,7 @@ } }, { - "pk": 260, + "pk": 208, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52545531841228, @@ -62071,7 +49967,7 @@ } }, { - "pk": 261, + "pk": 209, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51564213966611, @@ -62082,7 +49978,7 @@ } }, { - "pk": 262, + "pk": 210, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51989909579303, @@ -62093,7 +49989,7 @@ } }, { - "pk": 263, + "pk": 211, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51102035559439, @@ -62104,7 +50000,7 @@ } }, { - "pk": 264, + "pk": 212, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50777344576249, @@ -62115,7 +50011,7 @@ } }, { - "pk": 265, + "pk": 213, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52045060790012, @@ -62126,7 +50022,7 @@ } }, { - "pk": 266, + "pk": 214, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51103660283648, @@ -62137,7 +50033,7 @@ } }, { - "pk": 267, + "pk": 215, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52847891858367, @@ -62148,7 +50044,7 @@ } }, { - "pk": 268, + "pk": 216, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51959003192875, @@ -62159,7 +50055,7 @@ } }, { - "pk": 269, + "pk": 217, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50590331600976, @@ -62170,7 +50066,7 @@ } }, { - "pk": 270, + "pk": 218, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52906701336684, @@ -62181,7 +50077,7 @@ } }, { - "pk": 271, + "pk": 219, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51336510578497, @@ -62192,7 +50088,7 @@ } }, { - "pk": 272, + "pk": 220, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50943938065907, @@ -62203,7 +50099,7 @@ } }, { - "pk": 273, + "pk": 221, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51082860592397, @@ -62214,7 +50110,7 @@ } }, { - "pk": 274, + "pk": 222, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50624883713072, @@ -62225,7 +50121,7 @@ } }, { - "pk": 275, + "pk": 223, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52635102080807, @@ -62236,7 +50132,7 @@ } }, { - "pk": 276, + "pk": 224, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51726592009473, @@ -62247,7 +50143,7 @@ } }, { - "pk": 277, + "pk": 225, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51796567212216, @@ -62258,7 +50154,7 @@ } }, { - "pk": 278, + "pk": 226, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52841011273804, @@ -62269,7 +50165,7 @@ } }, { - "pk": 279, + "pk": 227, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5174540244269, @@ -62280,7 +50176,7 @@ } }, { - "pk": 280, + "pk": 228, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.54419004046034, @@ -62291,7 +50187,7 @@ } }, { - "pk": 281, + "pk": 229, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51728926104549, @@ -62302,7 +50198,7 @@ } }, { - "pk": 282, + "pk": 230, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52684208556183, @@ -62313,7 +50209,7 @@ } }, { - "pk": 283, + "pk": 231, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5203866161574, @@ -62324,7 +50220,7 @@ } }, { - "pk": 284, + "pk": 232, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52723637726772, @@ -62335,7 +50231,7 @@ } }, { - "pk": 285, + "pk": 233, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52650061084762, @@ -62346,7 +50242,7 @@ } }, { - "pk": 286, + "pk": 234, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52881630968154, @@ -62357,7 +50253,7 @@ } }, { - "pk": 287, + "pk": 235, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52476323737238, @@ -62368,7 +50264,7 @@ } }, { - "pk": 288, + "pk": 236, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52764139139646, @@ -62379,7 +50275,7 @@ } }, { - "pk": 289, + "pk": 237, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51236105667788, @@ -62390,7 +50286,7 @@ } }, { - "pk": 290, + "pk": 238, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51245652693154, @@ -62401,7 +50297,7 @@ } }, { - "pk": 291, + "pk": 239, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52048529074019, @@ -62412,7 +50308,7 @@ } }, { - "pk": 292, + "pk": 240, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.54649652582752, @@ -62423,7 +50319,7 @@ } }, { - "pk": 293, + "pk": 241, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51840412696379, @@ -62434,7 +50330,7 @@ } }, { - "pk": 294, + "pk": 242, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51505553708987, @@ -62445,7 +50341,7 @@ } }, { - "pk": 295, + "pk": 243, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52281884245624, @@ -62456,7 +50352,7 @@ } }, { - "pk": 296, + "pk": 244, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50785457164978, @@ -62467,7 +50363,7 @@ } }, { - "pk": 297, + "pk": 245, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52282319453496, @@ -62478,7 +50374,7 @@ } }, { - "pk": 298, + "pk": 246, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52111234781283, @@ -62489,7 +50385,7 @@ } }, { - "pk": 299, + "pk": 247, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51733299422908, @@ -62500,7 +50396,7 @@ } }, { - "pk": 300, + "pk": 248, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52063601827938, @@ -62511,7 +50407,7 @@ } }, { - "pk": 301, + "pk": 249, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51433208876273, @@ -62522,7 +50418,7 @@ } }, { - "pk": 302, + "pk": 250, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51406201013405, @@ -62533,7 +50429,7 @@ } }, { - "pk": 303, + "pk": 251, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51982119041929, @@ -62544,7 +50440,7 @@ } }, { - "pk": 304, + "pk": 252, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50832788578241, @@ -62555,7 +50451,7 @@ } }, { - "pk": 305, + "pk": 253, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51258246588105, @@ -62566,7 +50462,7 @@ } }, { - "pk": 306, + "pk": 254, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.53091742732616, @@ -62577,7 +50473,7 @@ } }, { - "pk": 307, + "pk": 255, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50458569826586, @@ -62588,7 +50484,7 @@ } }, { - "pk": 308, + "pk": 256, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51404137508863, @@ -62599,7 +50495,7 @@ } }, { - "pk": 309, + "pk": 257, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51917661238811, @@ -62610,7 +50506,7 @@ } }, { - "pk": 310, + "pk": 258, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51331431550027, @@ -62621,7 +50517,7 @@ } }, { - "pk": 311, + "pk": 259, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51786185348891, @@ -62632,7 +50528,7 @@ } }, { - "pk": 312, + "pk": 260, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5219702886463, @@ -62643,7 +50539,7 @@ } }, { - "pk": 313, + "pk": 261, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51983037753384, @@ -62654,7 +50550,7 @@ } }, { - "pk": 314, + "pk": 262, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51462202328496, @@ -62665,7 +50561,7 @@ } }, { - "pk": 315, + "pk": 263, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51655117380853, @@ -62676,7 +50572,7 @@ } }, { - "pk": 316, + "pk": 264, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51313224691534, @@ -62687,7 +50583,7 @@ } }, { - "pk": 317, + "pk": 265, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51948557080452, @@ -62698,7 +50594,7 @@ } }, { - "pk": 318, + "pk": 266, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51721222807905, @@ -62709,7 +50605,7 @@ } }, { - "pk": 319, + "pk": 267, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52467448620887, @@ -62720,7 +50616,7 @@ } }, { - "pk": 320, + "pk": 268, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50621820312436, @@ -62731,7 +50627,7 @@ } }, { - "pk": 321, + "pk": 269, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51197761575062, @@ -62742,7 +50638,7 @@ } }, { - "pk": 322, + "pk": 270, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.5337867194649, @@ -62753,7 +50649,7 @@ } }, { - "pk": 323, + "pk": 271, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52327838301585, @@ -62764,7 +50660,7 @@ } }, { - "pk": 324, + "pk": 272, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51596961307253, @@ -62775,7 +50671,7 @@ } }, { - "pk": 325, + "pk": 273, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.52529700542716, @@ -62786,7 +50682,7 @@ } }, { - "pk": 326, + "pk": 274, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.50596882091689, @@ -62797,7 +50693,7 @@ } }, { - "pk": 327, + "pk": 275, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51738679292795, @@ -62808,7 +50704,7 @@ } }, { - "pk": 328, + "pk": 276, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51520199255678, @@ -62819,7 +50715,7 @@ } }, { - "pk": 329, + "pk": 277, "model": "pgd_core.sidechain_val", "fields": { "CB_CG2": 1.51757335257591, @@ -62974,7 +50870,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4, + "next": 5, "sidechain_SER": null, "bm": 7.0, "xpr": false, @@ -63015,6 +50911,67 @@ { "pk": 4, "model": "pgd_core.residue", + "fields": { + "aa": "m", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 113.971566486985, + "psi": 140.217584672491, + "oldID": "1", + "bg": 15.43, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1MWW", + "zeta": 34.7495570358167, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": 1, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 7, + "sidechain_SER": null, + "bm": 22.0, + "xpr": false, + "prev": null, + "terminal_flag": false, + "phi": null, + "chainID": "A", + "sidechain_GLN": null, + "ome": 178.948241865382, + "chi2": -162.19957532987, + "chi3": -118.884616867868, + "chi1": -175.825206493315, + "chi4": null, + "chi5": null, + "a1": null, + "L4": 1.52943627701219, + "L5": 1.24513388340617, + "L2": 1.4727223342593, + "L3": 1.52895053248145, + "a7": 123.893773986576, + "L1": null, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "-", + "a3": 110.595562563852, + "bs": 22.0, + "a2": 110.094606370182, + "a5": 122.110604472135, + "sidechain_LEU": null, + "chainIndex": 1, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 109.669373651319 + } +}, +{ + "pk": 5, + "model": "pgd_core.residue", "fields": { "aa": "v", "sidechain_PRO": null, @@ -63035,7 +50992,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5, + "next": 6, "sidechain_SER": null, "bm": 6.0, "xpr": false, @@ -63074,7 +51031,7 @@ } }, { - "pk": 5, + "pk": 6, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -63096,11 +51053,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 6, + "next": 8, "sidechain_SER": null, "bm": 6.0, "xpr": false, - "prev": 4, + "prev": 5, "terminal_flag": false, "phi": -116.625093962384, "chainID": "A", @@ -63135,7 +51092,68 @@ } }, { - "pk": 6, + "pk": 7, + "model": "pgd_core.residue", + "fields": { + "aa": "i", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 117.257882556328, + "psi": 135.575605131546, + "oldID": "2", + "bg": 24.82, + "sidechain_CYS": null, + "sidechain_ILE": 2, + "protein": "1MWW", + "zeta": 37.2302858932244, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 11, + "sidechain_SER": null, + "bm": 19.0, + "xpr": false, + "prev": 4, + "terminal_flag": false, + "phi": -105.615845184046, + "chainID": "A", + "sidechain_GLN": null, + "ome": 179.676455690354, + "chi2": 169.040128393827, + "chi3": null, + "chi1": -73.7763357928924, + "chi4": null, + "chi5": null, + "a1": 124.267367371176, + "L4": 1.5389053905233, + "L5": 1.20114760676764, + "L2": 1.45650288789887, + "L3": 1.5252782644026, + "a7": 121.381692876249, + "L1": 1.31760188957664, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 108.872912394689, + "bs": 24.0, + "a2": 109.789128865728, + "a5": 121.328317098291, + "sidechain_LEU": null, + "chainIndex": 2, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 106.673040299795 + } +}, +{ + "pk": 8, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -63157,11 +51175,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 7, + "next": 9, "sidechain_SER": null, "bm": 7.0, "xpr": false, - "prev": 5, + "prev": 6, "terminal_flag": false, "phi": -117.049112342602, "chainID": "A", @@ -63196,7 +51214,7 @@ } }, { - "pk": 7, + "pk": 9, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -63218,11 +51236,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 8, + "next": 10, "sidechain_SER": null, "bm": 6.0, "xpr": false, - "prev": 6, + "prev": 8, "terminal_flag": false, "phi": -91.7516189362202, "chainID": "A", @@ -63257,7 +51275,7 @@ } }, { - "pk": 8, + "pk": 10, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -63279,11 +51297,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 9, + "next": 12, "sidechain_SER": null, "bm": 8.0, "xpr": false, - "prev": 7, + "prev": 9, "terminal_flag": false, "phi": -116.030938750934, "chainID": "A", @@ -63318,7 +51336,68 @@ } }, { - "pk": 9, + "pk": 11, + "model": "pgd_core.residue", + "fields": { + "aa": "t", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 114.066885205145, + "psi": 139.590670315749, + "oldID": "3", + "bg": 28.7, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1MWW", + "zeta": 34.6235958168832, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": 1, + "sidechain_TRP": null, + "next": 13, + "sidechain_SER": null, + "bm": 19.0, + "xpr": false, + "prev": 7, + "terminal_flag": false, + "phi": -123.133686890839, + "chainID": "A", + "sidechain_GLN": null, + "ome": 178.377216499116, + "chi2": null, + "chi3": null, + "chi1": -59.3754204957426, + "chi4": null, + "chi5": null, + "a1": 119.104424215384, + "L4": 1.52755918181785, + "L5": 1.25243088812099, + "L2": 1.46523077184758, + "L3": 1.59742701651917, + "a7": 124.978439836355, + "L1": 1.3116851957348, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 109.712911389661, + "bs": 20.0, + "a2": 112.619760108463, + "a5": 120.953854806353, + "sidechain_LEU": null, + "chainIndex": 3, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 108.407078537171 + } +}, +{ + "pk": 12, "model": "pgd_core.residue", "fields": { "aa": "d", @@ -63340,11 +51419,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 10, + "next": 14, "sidechain_SER": null, "bm": 9.0, "xpr": false, - "prev": 8, + "prev": 10, "terminal_flag": false, "phi": -84.3116199901079, "chainID": "A", @@ -63379,7 +51458,68 @@ } }, { - "pk": 10, + "pk": 13, + "model": "pgd_core.residue", + "fields": { + "aa": "v", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 116.441223643949, + "psi": 122.005684587552, + "oldID": "4", + "bg": 20.16, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1MWW", + "zeta": 34.5953842332472, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": 2, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 15, + "sidechain_SER": null, + "bm": 22.0, + "xpr": false, + "prev": 11, + "terminal_flag": false, + "phi": -115.022218750229, + "chainID": "A", + "sidechain_GLN": null, + "ome": -177.691470695938, + "chi2": null, + "chi3": null, + "chi1": 177.437388294836, + "chi4": null, + "chi5": null, + "a1": 123.602759308544, + "L4": 1.49376925243844, + "L5": 1.20476968402635, + "L2": 1.45108030015848, + "L3": 1.55705635023363, + "a7": 123.539619574428, + "L1": 1.34224142324354, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 107.966978415081, + "bs": 20.0, + "a2": 112.524699009054, + "a5": 120.017092740484, + "sidechain_LEU": null, + "chainIndex": 4, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 108.89804164675 + } +}, +{ + "pk": 14, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -63392,7 +51532,7 @@ "oldID": "10", "bg": 11.38, "sidechain_CYS": null, - "sidechain_ILE": 2, + "sidechain_ILE": 3, "protein": "1MWQ", "zeta": 35.154978506337, "sidechain_PHE": null, @@ -63401,11 +51541,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 11, + "next": 16, "sidechain_SER": null, "bm": 10.0, "xpr": false, - "prev": 9, + "prev": 12, "terminal_flag": false, "phi": -66.9385017543348, "chainID": "A", @@ -63440,7 +51580,68 @@ } }, { - "pk": 11, + "pk": 15, + "model": "pgd_core.residue", + "fields": { + "aa": "f", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 116.81545233659, + "psi": 134.348945608091, + "oldID": "5", + "bg": 13.62, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1MWW", + "zeta": 34.8633984399468, + "sidechain_PHE": 2, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 17, + "sidechain_SER": null, + "bm": 19.0, + "xpr": false, + "prev": 13, + "terminal_flag": false, + "phi": -111.675651318201, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.578809420529, + "chi2": 91.535757379195, + "chi3": null, + "chi1": -57.4495840005169, + "chi4": null, + "chi5": null, + "a1": 121.547918555456, + "L4": 1.54412264128329, + "L5": 1.19021930730603, + "L2": 1.4579748806367, + "L3": 1.53369474891845, + "a7": 121.865275092896, + "L1": 1.32890513132164, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 107.893586302248, + "bs": 16.0, + "a2": 110.732321304764, + "a5": 121.315827569238, + "sidechain_LEU": null, + "chainIndex": 5, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 109.672583707317 + } +}, +{ + "pk": 16, "model": "pgd_core.residue", "fields": { "aa": "p", @@ -63462,11 +51663,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 12, + "next": 19, "sidechain_SER": null, "bm": 12.0, "xpr": false, - "prev": 10, + "prev": 14, "terminal_flag": false, "phi": -59.7509767405417, "chainID": "A", @@ -63501,7 +51702,129 @@ } }, { - "pk": 12, + "pk": 17, + "model": "pgd_core.residue", + "fields": { + "aa": "g", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 113.2626120692, + "psi": 164.070352220956, + "oldID": "6", + "bg": 0.0, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1MWW", + "zeta": null, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 18, + "sidechain_SER": null, + "bm": 23.0, + "xpr": false, + "prev": 15, + "terminal_flag": false, + "phi": -169.117856187608, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.669089077763, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 119.507294164272, + "L4": 1.50739811491799, + "L5": 1.24754003017138, + "L2": 1.44102871292622, + "L3": null, + "a7": 125.327401098024, + "L1": 1.30962353352463, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 106.974773075641, + "bs": 0.0, + "a2": null, + "a5": 121.328944647052, + "sidechain_LEU": null, + "chainIndex": 6, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": null + } +}, +{ + "pk": 18, + "model": "pgd_core.residue", + "fields": { + "aa": "l", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 115.501819372965, + "psi": 132.390197966738, + "oldID": "7", + "bg": 33.03, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1MWW", + "zeta": 35.448878683065, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 20, + "sidechain_SER": null, + "bm": 26.0, + "xpr": false, + "prev": 17, + "terminal_flag": false, + "phi": -67.9582169024973, + "chainID": "A", + "sidechain_GLN": null, + "ome": -176.784194037551, + "chi2": 37.423358628581, + "chi3": null, + "chi1": -153.102964953363, + "chi4": null, + "chi5": null, + "a1": 124.576701989245, + "L4": 1.50049039512891, + "L5": 1.24042078070166, + "L2": 1.45980223047855, + "L3": 1.53165856371592, + "a7": 124.553868149841, + "L1": 1.32880889490307, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 105.800383446721, + "bs": 33.0, + "a2": 108.655920963775, + "a5": 119.931654208757, + "sidechain_LEU": 1, + "chainIndex": 7, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 111.610577588842 + } +}, +{ + "pk": 19, "model": "pgd_core.residue", "fields": { "aa": "n", @@ -63523,11 +51846,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 13, + "next": 23, "sidechain_SER": null, "bm": 13.0, "xpr": false, - "prev": 11, + "prev": 16, "terminal_flag": false, "phi": 63.9927823055568, "chainID": "A", @@ -63562,1532 +51885,1532 @@ } }, { - "pk": 13, + "pk": 20, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.81846780845, - "psi": 24.5221404673512, - "oldID": "13", - "bg": 11.09, + "a6": 116.90652180528, + "psi": -56.1694039873152, + "oldID": "8", + "bg": 43.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 31.7376289355373, + "protein": "1MWW", + "zeta": 33.552968648111, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 1, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 1, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 14, + "next": 21, "sidechain_SER": null, - "bm": 11.0, + "bm": 33.0, "xpr": false, - "prev": 12, + "prev": 18, "terminal_flag": false, - "phi": -121.749981934259, + "phi": -49.5158879458563, "chainID": "A", "sidechain_GLN": null, - "ome": -179.303031286126, - "chi2": null, - "chi3": null, - "chi1": 57.130574598225, - "chi4": null, + "ome": -179.637533232463, + "chi2": -179.9792722709, + "chi3": -166.940721474618, + "chi1": -161.695267968911, + "chi4": -134.166662097156, "chi5": null, - "a1": 123.713244840019, - "L4": 1.51027107953378, - "L5": 1.22898382196435, - "L2": 1.43719557686483, - "L3": 1.54074937373861, - "a7": 120.754238706128, - "L1": 1.36126126700404, + "a1": 121.992872882102, + "L4": 1.54222620560141, + "L5": 1.24301615073467, + "L2": 1.47071275183721, + "L3": 1.54369562745593, + "a7": 122.588447109113, + "L1": 1.32855172508218, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.732580067531, - "bs": 11.0, - "a2": 112.156787084245, - "a5": 120.296700732965, + "ss": "H", + "a3": 114.584175011297, + "bs": 45.0, + "a2": 110.094642201079, + "a5": 120.503975320553, "sidechain_LEU": null, - "chainIndex": 16, + "chainIndex": 8, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.017315072604 + "a4": 110.125835280449 } }, { - "pk": 14, + "pk": 21, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.032055691555, - "psi": -47.427950277329, - "oldID": "14", - "bg": 13.35, + "a6": 117.905495090811, + "psi": -35.3008994423526, + "oldID": "9", + "bg": 43.72, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.284394568989, + "protein": "1MWW", + "zeta": 33.1432104898277, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 15, - "sidechain_SER": null, - "bm": 10.0, + "next": 25, + "sidechain_SER": 1, + "bm": 36.0, "xpr": false, - "prev": 13, + "prev": 20, "terminal_flag": false, - "phi": -54.2550377715802, + "phi": -51.5299149064312, "chainID": "A", "sidechain_GLN": null, - "ome": -177.105891153498, - "chi2": 53.5267408510643, + "ome": 178.847381181632, + "chi2": null, "chi3": null, - "chi1": -176.447878656618, + "chi1": 43.3629813189214, "chi4": null, "chi5": null, - "a1": 121.522470012982, - "L4": 1.52382699466137, - "L5": 1.23180295190196, - "L2": 1.46263037201273, - "L3": 1.51347050670675, - "a7": 123.245177190942, - "L1": 1.34981511277983, + "a1": 119.926515224359, + "L4": 1.53363608566389, + "L5": 1.22788456571291, + "L2": 1.48259247887642, + "L3": 1.533013783692, + "a7": 120.820176715128, + "L1": 1.32989243684306, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 114.114657414667, - "bs": 13.0, - "a2": 110.940749849117, - "a5": 120.673858529786, - "sidechain_LEU": 1, - "chainIndex": 17, + "a3": 113.206244024085, + "bs": 41.0, + "a2": 109.997844463416, + "a5": 121.251108941012, + "sidechain_LEU": null, + "chainIndex": 9, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.616989335216 + "a4": 111.123673701003 } }, { - "pk": 15, + "pk": 22, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.861625774987, - "psi": -40.3822553965442, - "oldID": "15", - "bg": 24.52, + "a6": 116.551147095252, + "psi": -179.839053984519, + "oldID": "1", + "bg": 39.27, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.1332327238258, + "protein": "3CGM", + "zeta": 33.0078861509485, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 2, "sidechain_THR": null, "sidechain_TRP": null, - "next": 16, + "next": 24, "sidechain_SER": null, - "bm": 10.0, + "bm": 38.0, "xpr": false, - "prev": 14, + "prev": null, "terminal_flag": false, - "phi": -61.679208772452, + "phi": null, "chainID": "A", "sidechain_GLN": null, - "ome": 176.88244363527, - "chi2": -174.171270164061, - "chi3": 46.756262507593, - "chi1": -174.689360326476, + "ome": -173.435001390967, + "chi2": 177.545315932056, + "chi3": 72.5471496191458, + "chi1": 34.8665537085801, "chi4": null, "chi5": null, - "a1": 117.720359156787, - "L4": 1.51666303921515, - "L5": 1.23229855543964, - "L2": 1.45503641384243, - "L3": 1.55034068051199, - "a7": 122.476043790784, - "L1": 1.34255105879044, + "a1": null, + "L4": 1.51352924897894, + "L5": 1.23340172412571, + "L2": 1.50039909240108, + "L3": 1.54428329152761, + "a7": 123.166899932004, + "L1": null, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 1, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.107692409218, - "bs": 27.0, - "a2": 108.729211316945, - "a5": 121.660743225244, + "ss": "-", + "a3": 110.982214513961, + "bs": 39.0, + "a2": 111.372357116835, + "a5": 120.281809712029, "sidechain_LEU": null, - "chainIndex": 18, + "chainIndex": 1, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.852119288746 + "a4": 110.838697423363 } }, { - "pk": 16, + "pk": 23, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 114.206419737827, - "psi": -42.8766006979524, - "oldID": "16", - "bg": 13.0, + "a6": 118.81846780845, + "psi": 24.5221404673512, + "oldID": "13", + "bg": 11.09, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 33.7703112825073, + "zeta": 31.7376289355373, "sidechain_PHE": null, - "sidechain_LYS": 1, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 2, "sidechain_TRP": null, - "next": 17, + "next": 29, "sidechain_SER": null, - "bm": 9.0, + "bm": 11.0, "xpr": false, - "prev": 15, + "prev": 19, "terminal_flag": false, - "phi": -63.9720195649285, + "phi": -121.749981934259, "chainID": "A", "sidechain_GLN": null, - "ome": 178.161289464548, - "chi2": 176.736150725764, - "chi3": -179.379661080678, - "chi1": -63.4117138722628, - "chi4": -163.631818001797, + "ome": -179.303031286126, + "chi2": null, + "chi3": null, + "chi1": 57.130574598225, + "chi4": null, "chi5": null, - "a1": 120.48571781658, - "L4": 1.54020632774096, - "L5": 1.22896986416912, - "L2": 1.45208669848277, - "L3": 1.55024125015473, - "a7": 123.905248263928, - "L1": 1.33715089450649, + "a1": 123.713244840019, + "L4": 1.51027107953378, + "L5": 1.22898382196435, + "L2": 1.43719557686483, + "L3": 1.54074937373861, + "a7": 120.754238706128, + "L1": 1.36126126700404, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.621550573518, - "bs": 17.0, - "a2": 111.613821030079, - "a5": 121.82475925567, + "ss": "-", + "a3": 113.732580067531, + "bs": 11.0, + "a2": 112.156787084245, + "a5": 120.296700732965, "sidechain_LEU": null, - "chainIndex": 19, + "chainIndex": 16, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.513842762212 + "a4": 111.017315072604 } }, { - "pk": 17, + "pk": 24, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.171309612955, - "psi": -41.7515715665905, - "oldID": "17", - "bg": 12.04, + "a6": 117.253157332582, + "psi": 153.474740000479, + "oldID": "2", + "bg": 43.62, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.5871984335132, + "protein": "3CGM", + "zeta": 34.8811496778411, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 3, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 18, + "next": 27, "sidechain_SER": null, - "bm": 9.0, + "bm": 34.0, "xpr": false, - "prev": 16, + "prev": 22, "terminal_flag": false, - "phi": -57.5146856418094, + "phi": -101.839821403713, "chainID": "A", "sidechain_GLN": null, - "ome": 179.175249087394, - "chi2": 172.671534769727, - "chi3": -94.0052016543864, - "chi1": 173.727504956526, - "chi4": -76.3260754470161, - "chi5": -1.53135271986145, - "a1": 120.546804825027, - "L4": 1.52316233596759, - "L5": 1.23540472267776, - "L2": 1.47076790476129, - "L3": 1.51622262392056, - "a7": 119.73302609023, - "L1": 1.3167114201466, - "sidechain_ARG": 1, + "ome": 176.999607079163, + "chi2": 172.995097815115, + "chi3": -39.4506200641903, + "chi1": -69.1467961904231, + "chi4": -139.487794122305, + "chi5": null, + "a1": 121.47601364906, + "L4": 1.51698404798257, + "L5": 1.21405137262601, + "L2": 1.4700142023986, + "L3": 1.53326947555693, + "a7": 122.176019895009, + "L1": 1.32931947215445, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.718947789949, - "bs": 12.0, - "a2": 108.213192837347, - "a5": 123.081494546702, + "ss": "B", + "a3": 111.646827506006, + "bs": 47.0, + "a2": 110.740315181763, + "a5": 120.513995352723, "sidechain_LEU": null, - "chainIndex": 20, + "chainIndex": 2, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.458785826572 + "a4": 108.660613566525 } }, { - "pk": 18, + "pk": 25, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.583264626639, - "psi": -39.3333485984379, - "oldID": "18", - "bg": 17.02, + "a6": 116.199880689128, + "psi": -36.3079989720849, + "oldID": "10", + "bg": 34.01, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.4017262946926, + "protein": "1MWW", + "zeta": 35.2994025283079, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 2, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 19, + "next": 26, "sidechain_SER": null, - "bm": 10.0, + "bm": 35.0, "xpr": false, - "prev": 17, + "prev": 21, "terminal_flag": false, - "phi": -71.476402452417, + "phi": -89.8938442546119, "chainID": "A", "sidechain_GLN": null, - "ome": -177.555037433228, - "chi2": 175.299580286805, - "chi3": null, - "chi1": -68.079569784331, - "chi4": null, + "ome": -175.450194543093, + "chi2": -67.9002123671862, + "chi3": -103.410559565242, + "chi1": -60.3901087004233, + "chi4": -59.2997669023759, "chi5": null, - "a1": 120.01788006841, - "L4": 1.51956632405, - "L5": 1.24951193164472, - "L2": 1.44309200192427, - "L3": 1.53730192162339, - "a7": 121.150406328102, - "L1": 1.35595845116069, + "a1": 119.017265537164, + "L4": 1.51303576708832, + "L5": 1.22641771266243, + "L2": 1.44642997241566, + "L3": 1.50839544047398, + "a7": 122.590223688265, + "L1": 1.32154009332393, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.944321798085, - "bs": 19.0, - "a2": 109.076912889146, - "a5": 120.266047658314, - "sidechain_LEU": 2, - "chainIndex": 21, + "a3": 115.752260997999, + "bs": 42.0, + "a2": 109.872900274441, + "a5": 121.209886643495, + "sidechain_LEU": null, + "chainIndex": 10, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.488660178982 + "a4": 107.591396077083 } }, { - "pk": 19, + "pk": 26, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.320834446268, - "psi": -34.2485078245835, - "oldID": "19", - "bg": 0.0, + "a6": 118.683385329552, + "psi": -42.1614207083811, + "oldID": "11", + "bg": 28.8, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.5981082007161, + "protein": "1MWW", + "zeta": 35.3785374327942, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 20, + "next": 28, "sidechain_SER": null, - "bm": 9.0, + "bm": 29.0, "xpr": false, - "prev": 18, + "prev": 25, "terminal_flag": false, - "phi": -66.590095801125, + "phi": -81.1091273307291, "chainID": "A", "sidechain_GLN": null, - "ome": -176.067165657992, - "chi2": null, + "ome": -175.371842895907, + "chi2": 60.539942595762, "chi3": null, - "chi1": null, + "chi1": -179.080087803247, "chi4": null, "chi5": null, - "a1": 122.137721689347, - "L4": 1.52350709613443, - "L5": 1.24059192926965, - "L2": 1.46892499593347, - "L3": 1.52485347924745, - "a7": 122.072243482492, - "L1": 1.33268688085536, + "a1": 120.696217062793, + "L4": 1.51940888070771, + "L5": 1.19036000387069, + "L2": 1.44643563187999, + "L3": 1.56687056793579, + "a7": 121.934088989572, + "L1": 1.32191234230122, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.621354665925, - "bs": 11.0, - "a2": 109.171336503432, - "a5": 120.60441584461, - "sidechain_LEU": null, - "chainIndex": 22, + "a3": 113.732661509509, + "bs": 26.0, + "a2": 110.177395282183, + "a5": 119.310253858219, + "sidechain_LEU": 2, + "chainIndex": 11, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.521792041509 + "a4": 108.413050463808 } }, { - "pk": 20, + "pk": 27, "model": "pgd_core.residue", "fields": { "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.819085589532, - "psi": 2.80956321509715, - "oldID": "20", - "bg": 9.79, + "a6": 116.276261446843, + "psi": 136.493403761901, + "oldID": "3", + "bg": 24.69, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.2703842059983, + "protein": "3CGM", + "zeta": 34.4422074810116, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 2, + "sidechain_VAL": 3, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 21, + "next": 30, "sidechain_SER": null, - "bm": 8.0, + "bm": 29.0, "xpr": false, - "prev": 19, + "prev": 24, "terminal_flag": false, - "phi": -96.4839696422398, + "phi": -68.2321538214424, "chainID": "A", "sidechain_GLN": null, - "ome": -176.024304850992, + "ome": 171.062232894779, "chi2": null, "chi3": null, - "chi1": 177.071541104582, + "chi1": 173.519317242756, "chi4": null, "chi5": null, - "a1": 121.121554114325, - "L4": 1.54013264518799, - "L5": 1.23561998864863, - "L2": 1.46764697998808, - "L3": 1.56508398390143, - "a7": 121.405617709389, - "L1": 1.32760468933769, + "a1": 120.290366659967, + "L4": 1.52197361627648, + "L5": 1.24416637194161, + "L2": 1.44540094457449, + "L3": 1.55441408172822, + "a7": 122.82406522439, + "L1": 1.32582014768914, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.756159887442, - "bs": 9.0, - "a2": 107.558193950441, - "a5": 121.680423107282, + "ss": "-", + "a3": 107.790605971741, + "bs": 24.0, + "a2": 111.954409293732, + "a5": 120.89960258148, "sidechain_LEU": null, - "chainIndex": 23, + "chainIndex": 3, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.269334472554 + "a4": 109.591975597596 } }, { - "pk": 21, + "pk": 28, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 120.436031121264, - "psi": -43.6770394219584, - "oldID": "21", - "bg": 8.23, + "a6": 117.573786697854, + "psi": -53.3650035548826, + "oldID": "12", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.6905518582541, + "protein": "1MWW", + "zeta": 33.0803375659217, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 22, + "next": 31, "sidechain_SER": null, - "bm": 8.0, + "bm": 35.0, "xpr": false, - "prev": 20, + "prev": 26, "terminal_flag": false, - "phi": -59.1293156355734, + "phi": -48.7376023621202, "chainID": "A", "sidechain_GLN": null, - "ome": -175.790939489987, - "chi2": 137.227292006191, - "chi3": -175.554015810909, - "chi1": -162.098981951105, - "chi4": 79.8795915124897, - "chi5": 1.45947303513759, - "a1": 120.541278267806, - "L4": 1.51942894745737, - "L5": 1.25175685092833, - "L2": 1.46337851219453, - "L3": 1.53750436968449, - "a7": 121.880568101736, - "L1": 1.3324539609589, - "sidechain_ARG": 2, + "ome": -179.685073802524, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 118.62954323085, + "L4": 1.52838273712389, + "L5": 1.2292534829368, + "L2": 1.47299577139346, + "L3": 1.51217749525785, + "a7": 121.838324589777, + "L1": 1.32272480900794, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.080818727056, - "bs": 10.0, - "a2": 109.167319536996, - "a5": 117.614052665454, + "a3": 112.733613429653, + "bs": 34.0, + "a2": 109.869833756505, + "a5": 120.46149661401, "sidechain_LEU": null, - "chainIndex": 24, + "chainIndex": 12, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.461408934251 + "a4": 111.362576236965 } }, { - "pk": 22, + "pk": 29, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.807408715681, - "psi": -46.551516843917, - "oldID": "22", - "bg": 18.77, + "a6": 116.032055691555, + "psi": -47.427950277329, + "oldID": "14", + "bg": 13.35, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 33.894235289376, + "zeta": 33.284394568989, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 23, + "next": 33, "sidechain_SER": null, - "bm": 8.0, + "bm": 10.0, "xpr": false, - "prev": 21, + "prev": 23, "terminal_flag": false, - "phi": -58.1915680283768, + "phi": -54.2550377715802, "chainID": "A", "sidechain_GLN": null, - "ome": -179.004921005692, - "chi2": -170.710253927228, - "chi3": -12.0193689088657, - "chi1": -178.875595531234, + "ome": -177.105891153498, + "chi2": 53.5267408510643, + "chi3": null, + "chi1": -176.447878656618, "chi4": null, "chi5": null, - "a1": 119.714532851695, - "L4": 1.50852268734252, - "L5": 1.23091260165942, - "L2": 1.46766566873006, - "L3": 1.52366078635383, - "a7": 121.460152502874, - "L1": 1.31879418057936, + "a1": 121.522470012982, + "L4": 1.52382699466137, + "L5": 1.23180295190196, + "L2": 1.46263037201273, + "L3": 1.51347050670675, + "a7": 123.245177190942, + "L1": 1.34981511277983, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 2, + "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.575734227267, - "bs": 21.0, - "a2": 108.682823638427, - "a5": 120.692891027355, - "sidechain_LEU": null, - "chainIndex": 25, + "a3": 114.114657414667, + "bs": 13.0, + "a2": 110.940749849117, + "a5": 120.673858529786, + "sidechain_LEU": 3, + "chainIndex": 17, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.080176992635 + "a4": 109.616989335216 } }, { - "pk": 23, + "pk": 30, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.903869382309, - "psi": -34.8525189169766, - "oldID": "23", - "bg": 10.83, + "a6": 115.764192214571, + "psi": -173.714463812135, + "oldID": "4", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.5355921518361, + "protein": "3CGM", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 24, + "next": 32, "sidechain_SER": null, - "bm": 7.0, + "bm": 29.0, "xpr": false, - "prev": 22, + "prev": 27, "terminal_flag": false, - "phi": -70.278874897713, + "phi": -174.815808294919, "chainID": "A", - "sidechain_GLN": 2, - "ome": 173.271860103351, - "chi2": -66.3029913934295, - "chi3": 118.112655161514, - "chi1": -72.7578266430553, + "sidechain_GLN": null, + "ome": -175.769077731785, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.621799962586, - "L4": 1.53102790425654, - "L5": 1.24724091142973, - "L2": 1.44892015923533, - "L3": 1.52819189043152, - "a7": 121.783745563316, - "L1": 1.34564735588367, + "a1": 121.046703674356, + "L4": 1.51724000311765, + "L5": 1.24422390786801, + "L2": 1.46799815020655, + "L3": null, + "a7": 122.606013157638, + "L1": 1.32907840169442, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.219228045886, - "bs": 17.0, - "a2": 110.521015179726, - "a5": 120.295159286274, + "ss": "-", + "a3": 114.105525895173, + "bs": 0.0, + "a2": null, + "a5": 121.629779379894, "sidechain_LEU": null, - "chainIndex": 26, + "chainIndex": 4, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.910527529323 + "a4": null } }, { - "pk": 24, + "pk": 31, "model": "pgd_core.residue", "fields": { - "aa": "h", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 2, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.775209701616, - "psi": -49.2398224705659, - "oldID": "24", - "bg": 6.84, + "a6": 117.804617502819, + "psi": -30.2324380838045, + "oldID": "13", + "bg": 41.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.9034505839692, + "protein": "1MWW", + "zeta": 37.8499075048699, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 25, + "next": 34, "sidechain_SER": null, - "bm": 6.0, + "bm": 37.0, "xpr": false, - "prev": 23, + "prev": 28, "terminal_flag": false, - "phi": -57.8289894173622, + "phi": -59.1585764839827, "chainID": "A", "sidechain_GLN": null, - "ome": -178.981235791009, - "chi2": null, - "chi3": null, - "chi1": 169.78757743615, - "chi4": null, + "ome": -177.75265492979, + "chi2": 42.2239207431031, + "chi3": -41.8827945810921, + "chi1": -25.8589620919772, + "chi4": 27.5566918677826, "chi5": null, - "a1": 121.843078884906, - "L4": 1.53053996452421, - "L5": 1.25837848708103, - "L2": 1.46086431193064, - "L3": 1.51843385214581, - "a7": 121.494427889816, - "L1": 1.32047096961276, + "a1": 121.364310953686, + "L4": 1.50216255811895, + "L5": 1.21722187642075, + "L2": 1.46364005251949, + "L3": 1.53520390402017, + "a7": 122.348299272388, + "L1": 1.35380612080534, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 0.663608836348069, "ss": "H", - "a3": 110.038800752027, - "bs": 7.0, - "a2": 108.528994337202, - "a5": 121.711713702184, + "a3": 114.684158207972, + "bs": 39.0, + "a2": 103.269533587546, + "a5": 119.843174992569, "sidechain_LEU": null, - "chainIndex": 27, - "sidechain_HIS": 2, + "chainIndex": 13, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.565790944472 + "a4": 111.327780158714 } }, { - "pk": 25, + "pk": 32, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.965716634358, - "psi": -36.4205664097041, - "oldID": "25", - "bg": 8.59, + "a6": 116.770752824151, + "psi": 129.6433858712, + "oldID": "5", + "bg": 36.06, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.2673738127329, + "protein": "3CGM", + "zeta": 34.9077799607286, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 26, + "next": 35, "sidechain_SER": null, - "bm": 7.0, + "bm": 30.0, "xpr": false, - "prev": 24, + "prev": 30, "terminal_flag": false, - "phi": -61.5006205269927, + "phi": -45.5632488200468, "chainID": "A", - "sidechain_GLN": null, - "ome": -177.619783778919, - "chi2": 171.401789926191, - "chi3": null, - "chi1": -70.1822757275052, + "sidechain_GLN": 2, + "ome": 173.749882930687, + "chi2": 70.2411273915483, + "chi3": 50.1767623284865, + "chi1": -178.35184992461, "chi4": null, "chi5": null, - "a1": 122.421657253134, - "L4": 1.51564709744035, - "L5": 1.22396579889876, - "L2": 1.4701108607342, - "L3": 1.52301905602451, - "a7": 121.009548167261, - "L1": 1.31810214780544, + "a1": 120.647217285339, + "L4": 1.5306200294214, + "L5": 1.22184921258435, + "L2": 1.45819680551295, + "L3": 1.54270283208565, + "a7": 122.371390965612, + "L1": 1.32449401102622, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.856793643801, - "bs": 9.0, - "a2": 111.272423229759, - "a5": 120.996509293597, - "sidechain_LEU": 3, - "chainIndex": 28, + "ss": "T", + "a3": 110.530718270554, + "bs": 36.0, + "a2": 109.430357776902, + "a5": 120.840487834772, + "sidechain_LEU": null, + "chainIndex": 5, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.203932615698 + "a4": 110.386862601992 } }, { - "pk": 26, + "pk": 33, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.231614077554, - "psi": -41.4896258917272, - "oldID": "26", - "bg": 0.0, + "a6": 115.861625774987, + "psi": -40.3822553965442, + "oldID": "15", + "bg": 24.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 34.406656420663, + "zeta": 33.1332327238258, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 27, + "next": 38, "sidechain_SER": null, - "bm": 8.0, + "bm": 10.0, "xpr": false, - "prev": 25, + "prev": 29, "terminal_flag": false, - "phi": -55.6852948584779, + "phi": -61.679208772452, "chainID": "A", "sidechain_GLN": null, - "ome": -178.274557329491, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 176.88244363527, + "chi2": -174.171270164061, + "chi3": 46.756262507593, + "chi1": -174.689360326476, "chi4": null, "chi5": null, - "a1": 120.765152662, - "L4": 1.51289886308946, - "L5": 1.23420833804151, - "L2": 1.4668280618517, - "L3": 1.52196579321069, - "a7": 120.663264031092, - "L1": 1.33836821479683, + "a1": 117.720359156787, + "L4": 1.51666303921515, + "L5": 1.23229855543964, + "L2": 1.45503641384243, + "L3": 1.55034068051199, + "a7": 122.476043790784, + "L1": 1.34255105879044, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 1, "omep": null, "ss": "H", - "a3": 110.782701136527, - "bs": 10.0, - "a2": 109.746899085308, - "a5": 121.042117085711, + "a3": 113.107692409218, + "bs": 27.0, + "a2": 108.729211316945, + "a5": 121.660743225244, "sidechain_LEU": null, - "chainIndex": 29, + "chainIndex": 18, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.50861335625 + "a4": 112.852119288746 } }, { - "pk": 27, + "pk": 34, "model": "pgd_core.residue", "fields": { "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.154799155012, - "psi": -38.6960213950346, - "oldID": "27", - "bg": 9.33, + "a6": 118.165863204473, + "psi": 2.92670410481782, + "oldID": "14", + "bg": 37.43, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.2422798133724, + "protein": "1MWW", + "zeta": 34.6166674068408, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 28, + "next": 36, "sidechain_SER": null, - "bm": 8.0, + "bm": 29.0, "xpr": false, - "prev": 26, + "prev": 31, "terminal_flag": false, - "phi": -68.0719909475507, + "phi": -95.1523536048361, "chainID": "A", "sidechain_GLN": null, - "ome": 177.556457227916, - "chi2": -153.335420195914, - "chi3": -52.0754875082029, - "chi1": -56.102810575536, - "chi4": 149.933040097437, - "chi5": 5.40409535063089, - "a1": 119.97335426336, - "L4": 1.52399593069537, - "L5": 1.25858579471318, - "L2": 1.45439864399061, - "L3": 1.51538786745016, - "a7": 122.756731295162, - "L1": 1.35268993974389, - "sidechain_ARG": 3, + "ome": -178.872182708198, + "chi2": 148.595317163748, + "chi3": 115.608511089218, + "chi1": -22.870434288887, + "chi4": 152.094638190362, + "chi5": -0.180143792895713, + "a1": 119.809591447298, + "L4": 1.52846733202763, + "L5": 1.22402576667708, + "L2": 1.46564203102681, + "L3": 1.54720766575695, + "a7": 122.503766178017, + "L1": 1.3260557548465, + "sidechain_ARG": 1, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.287747696754, - "bs": 8.0, - "a2": 112.104151459335, - "a5": 120.034829206634, + "a3": 115.030731901058, + "bs": 44.0, + "a2": 110.901652394837, + "a5": 119.329443568935, "sidechain_LEU": null, - "chainIndex": 30, + "chainIndex": 14, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.81030248024 + "a4": 107.894147403324 } }, { - "pk": 28, + "pk": 35, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", - "sidechain_ASP": null, - "a6": 117.088135546246, - "psi": -36.2822370221736, - "oldID": "28", - "bg": 8.52, + "chain": "3CGMA", + "sidechain_ASP": 2, + "a6": 119.008982674511, + "psi": 15.4286893331621, + "oldID": "6", + "bg": 36.41, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.3728601394121, + "protein": "3CGM", + "zeta": 33.2290595734864, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 29, + "next": 37, "sidechain_SER": null, - "bm": 7.0, + "bm": 30.0, "xpr": false, - "prev": 27, + "prev": 32, "terminal_flag": false, - "phi": -66.7029229056402, + "phi": 67.3108916187193, "chainID": "A", "sidechain_GLN": null, - "ome": 175.157919842655, - "chi2": 162.687539833344, + "ome": 166.647519888078, + "chi2": -18.6912068387947, "chi3": null, - "chi1": -68.8493959867808, + "chi1": -61.6574410250696, "chi4": null, "chi5": null, - "a1": 120.260299833594, - "L4": 1.52166722999658, - "L5": 1.23051184791857, - "L2": 1.4481278829993, - "L3": 1.52914757158301, - "a7": 122.598477431342, - "L1": 1.32224120801755, + "a1": 122.312428178634, + "L4": 1.51981722780022, + "L5": 1.23431044913568, + "L2": 1.47815748743609, + "L3": 1.53376324231114, + "a7": 122.22421234189, + "L1": 1.32858092648262, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.650862369306, - "bs": 8.0, - "a2": 108.603521266305, - "a5": 120.283910163249, - "sidechain_LEU": 4, - "chainIndex": 31, + "ss": "T", + "a3": 117.001929229278, + "bs": 36.0, + "a2": 111.594609200193, + "a5": 118.757076753091, + "sidechain_LEU": null, + "chainIndex": 6, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.305332763445 + "a4": 108.078661012354 } }, { - "pk": 29, + "pk": 36, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.664010808644, - "psi": -38.238247689243, - "oldID": "29", - "bg": 8.95, + "a6": 116.829797775154, + "psi": -50.6311409703504, + "oldID": "15", + "bg": 28.18, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.2300764360302, + "protein": "1MWW", + "zeta": 33.7714930295288, "sidechain_PHE": null, - "sidechain_LYS": 2, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 30, + "next": 39, "sidechain_SER": null, - "bm": 7.0, + "bm": 36.0, "xpr": false, - "prev": 28, + "prev": 34, "terminal_flag": false, - "phi": -60.1546033361437, + "phi": -48.1417247636659, "chainID": "A", "sidechain_GLN": null, - "ome": 176.971814363803, - "chi2": 171.287105943982, - "chi3": 59.0230326417715, - "chi1": -74.850389625564, - "chi4": 175.380755387682, - "chi5": null, - "a1": 119.972887784262, - "L4": 1.51196119816513, - "L5": 1.24374799865888, - "L2": 1.46129282183669, - "L3": 1.53358230941101, - "a7": 120.993594337562, - "L1": 1.34823552422204, - "sidechain_ARG": null, + "ome": -179.192144872355, + "chi2": 177.555155220795, + "chi3": -65.80647401726, + "chi1": -83.7223485927962, + "chi4": -150.842512176765, + "chi5": -0.0797550891682785, + "a1": 121.374407896981, + "L4": 1.50752677741528, + "L5": 1.2343245540282, + "L2": 1.47676751153106, + "L3": 1.5463758766257, + "a7": 122.692658302475, + "L1": 1.33161799468374, + "sidechain_ARG": 2, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.482738782801, - "bs": 11.0, - "a2": 109.028501309922, - "a5": 120.31153384271, + "a3": 116.744240220318, + "bs": 34.0, + "a2": 111.704274575984, + "a5": 120.461600923122, "sidechain_LEU": null, - "chainIndex": 32, + "chainIndex": 15, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.747457766316 + "a4": 107.578891677035 } }, { - "pk": 30, + "pk": 37, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.042101210722, - "psi": -45.8131394877403, - "oldID": "30", - "bg": 10.85, + "a6": 116.965938161561, + "psi": 153.528923965584, + "oldID": "7", + "bg": 29.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.244892311785, + "protein": "3CGM", + "zeta": 34.3577681330968, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 4, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 31, + "next": 40, "sidechain_SER": null, - "bm": 7.0, + "bm": 27.0, "xpr": false, - "prev": 29, + "prev": 35, "terminal_flag": false, - "phi": -64.0543137584677, + "phi": -85.9906102969986, "chainID": "A", - "sidechain_GLN": 3, - "ome": 176.417478941801, - "chi2": -174.455484082893, - "chi3": -36.7912825125476, - "chi1": -173.448986401943, - "chi4": null, + "sidechain_GLN": null, + "ome": 167.780899168534, + "chi2": -69.0037704663929, + "chi3": -162.694561600081, + "chi1": -55.716488074401, + "chi4": -77.0369050000447, "chi5": null, - "a1": 119.785261282765, - "L4": 1.53442782250741, - "L5": 1.23853508822232, - "L2": 1.45879471614288, - "L3": 1.49969786181344, - "a7": 122.600742386434, - "L1": 1.33471751175722, + "a1": 120.530390769616, + "L4": 1.54635061534165, + "L5": 1.2430500407553, + "L2": 1.47065471179, + "L3": 1.52348534362966, + "a7": 121.953207275883, + "L1": 1.33115619630621, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.180029385166, - "bs": 11.0, - "a2": 111.003394265957, - "a5": 119.3143563349, + "ss": "E", + "a3": 108.647733164272, + "bs": 31.0, + "a2": 110.247488734927, + "a5": 120.980877904125, "sidechain_LEU": null, - "chainIndex": 33, + "chainIndex": 7, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.841972982585 + "a4": 110.490865227609 } }, { - "pk": 31, + "pk": 38, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.894118509882, - "psi": -39.7351827887227, - "oldID": "31", - "bg": 9.51, + "a6": 114.206419737827, + "psi": -42.8766006979524, + "oldID": "16", + "bg": 13.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 32.8757293906169, + "zeta": 33.7703112825073, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 5, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 32, + "next": 42, "sidechain_SER": null, - "bm": 8.0, + "bm": 9.0, "xpr": false, - "prev": 30, + "prev": 33, "terminal_flag": false, - "phi": -58.4717463336089, + "phi": -63.9720195649285, "chainID": "A", "sidechain_GLN": null, - "ome": 175.987124066091, - "chi2": 176.973693895671, - "chi3": null, - "chi1": -70.6195806876488, - "chi4": null, + "ome": 178.161289464548, + "chi2": 176.736150725764, + "chi3": -179.379661080678, + "chi1": -63.4117138722628, + "chi4": -163.631818001797, "chi5": null, - "a1": 119.517721038848, - "L4": 1.50185423746482, - "L5": 1.26575729986826, - "L2": 1.45750224409329, - "L3": 1.52414648972498, - "a7": 120.308025323782, - "L1": 1.32898396527115, + "a1": 120.48571781658, + "L4": 1.54020632774096, + "L5": 1.22896986416912, + "L2": 1.45208669848277, + "L3": 1.55024125015473, + "a7": 123.905248263928, + "L1": 1.33715089450649, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.115747470412, - "bs": 10.0, - "a2": 113.138253496121, - "a5": 121.777271003703, - "sidechain_LEU": 5, - "chainIndex": 34, + "a3": 111.621550573518, + "bs": 17.0, + "a2": 111.613821030079, + "a5": 121.82475925567, + "sidechain_LEU": null, + "chainIndex": 19, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.909642712766 + "a4": 109.513842762212 } }, { - "pk": 32, + "pk": 39, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.392305094172, - "psi": -41.5729843245384, - "oldID": "32", - "bg": 11.58, + "a6": 116.759357943762, + "psi": -44.3776081726173, + "oldID": "16", + "bg": 47.41, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.9682604448883, + "protein": "1MWW", + "zeta": 34.7690729487352, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 33, + "next": 41, "sidechain_SER": null, - "bm": 8.0, + "bm": 32.0, "xpr": false, - "prev": 31, + "prev": 36, "terminal_flag": false, - "phi": -62.852526267357, + "phi": -62.5904079846442, "chainID": "A", - "sidechain_GLN": 4, - "ome": 177.577306394174, - "chi2": 167.953997438868, - "chi3": -115.175716293179, - "chi1": -178.232359849069, + "sidechain_GLN": null, + "ome": -178.297133080549, + "chi2": 166.101866769426, + "chi3": 34.6432689479279, + "chi1": -56.418219454365, "chi4": null, "chi5": null, - "a1": 121.763949229809, - "L4": 1.52382913940807, - "L5": 1.24164293310494, - "L2": 1.45334004097859, - "L3": 1.52042839844234, - "a7": 122.140626925966, - "L1": 1.33044706199886, + "a1": 119.948899246941, + "L4": 1.50760909453231, + "L5": 1.21515541898624, + "L2": 1.46353977348785, + "L3": 1.54367446503606, + "a7": 120.999831856261, + "L1": 1.33403223384864, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 2, "omep": null, "ss": "H", - "a3": 111.078651653051, - "bs": 12.0, - "a2": 111.733750375393, - "a5": 120.451617665834, + "a3": 112.90128672687, + "bs": 49.0, + "a2": 110.552827209413, + "a5": 122.240558071653, "sidechain_LEU": null, - "chainIndex": 35, + "chainIndex": 16, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.449435249582 + "a4": 108.833066857202 } }, { - "pk": 33, + "pk": 40, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.63665206112, - "psi": -31.5841808836298, - "oldID": "33", - "bg": 0.0, + "a6": 115.027810222035, + "psi": 118.787682031796, + "oldID": "8", + "bg": 27.64, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.4545182273444, + "protein": "3CGM", + "zeta": 34.1252687544005, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 4, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 34, + "next": 43, "sidechain_SER": null, - "bm": 8.0, + "bm": 26.0, "xpr": false, - "prev": 32, + "prev": 37, "terminal_flag": false, - "phi": -61.4864840924972, + "phi": -102.424560489116, "chainID": "A", "sidechain_GLN": null, - "ome": 175.606473083233, + "ome": -172.331897313337, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 167.793936634782, "chi4": null, "chi5": null, - "a1": 121.55944054315, - "L4": 1.53167687252784, - "L5": 1.23192676403086, - "L2": 1.48399064350794, - "L3": 1.5096792312263, - "a7": 122.006055754493, - "L1": 1.32502814630971, + "a1": 120.830568997796, + "L4": 1.51818057684544, + "L5": 1.24677757145728, + "L2": 1.43949035143178, + "L3": 1.53172160957821, + "a7": 123.314366941615, + "L1": 1.32907375189123, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.390360804568, - "bs": 9.0, - "a2": 109.815136218425, - "a5": 120.341555503646, + "ss": "E", + "a3": 105.608573711943, + "bs": 28.0, + "a2": 111.917482715352, + "a5": 121.621828987659, "sidechain_LEU": null, - "chainIndex": 36, + "chainIndex": 8, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.240777016959 + "a4": 110.514415079627 } }, { - "pk": 34, + "pk": 41, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.7014312554, - "psi": -2.32195902809942, - "oldID": "34", - "bg": 11.11, + "a6": 116.735420239928, + "psi": -33.3641542992465, + "oldID": "17", + "bg": 45.21, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.184942458244, + "protein": "1MWW", + "zeta": 33.7518410785617, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 6, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 35, + "next": 44, "sidechain_SER": null, - "bm": 8.0, + "bm": 34.0, "xpr": false, - "prev": 33, + "prev": 39, "terminal_flag": false, - "phi": -78.638996196171, + "phi": -70.0240039624283, "chainID": "A", "sidechain_GLN": null, - "ome": -174.33399851589, - "chi2": 172.231096410086, - "chi3": 20.3009784398578, - "chi1": -62.7920825790147, - "chi4": null, + "ome": 178.891540611391, + "chi2": 47.8004003041956, + "chi3": -153.868281201806, + "chi1": -177.17315983969, + "chi4": 147.920149291916, "chi5": null, - "a1": 124.546319519092, - "L4": 1.52991296640397, - "L5": 1.22579336192935, - "L2": 1.46167380954416, - "L3": 1.53994854270067, - "a7": 121.464572333562, - "L1": 1.33084987229246, + "a1": 118.223382835316, + "L4": 1.52273506490699, + "L5": 1.23775546887931, + "L2": 1.45831841225049, + "L3": 1.52520359888067, + "a7": 121.660112719413, + "L1": 1.315741319878, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 3, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.320660591385, - "bs": 14.0, - "a2": 110.223698522261, - "a5": 119.824615151948, + "ss": "H", + "a3": 113.918157159565, + "bs": 47.0, + "a2": 108.491540692183, + "a5": 121.602376470786, "sidechain_LEU": null, - "chainIndex": 37, + "chainIndex": 17, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.613177053643 + "a4": 111.681129072957 } }, { - "pk": 35, + "pk": 42, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "r", "sidechain_PRO": null, - "sidechain_ASN": 2, + "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.937724788457, - "psi": 35.6304665673302, - "oldID": "35", - "bg": 16.13, + "a6": 117.171309612955, + "psi": -41.7515715665905, + "oldID": "17", + "bg": 12.04, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 32.752801516277, + "zeta": 32.5871984335132, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 36, + "next": 45, "sidechain_SER": null, "bm": 9.0, "xpr": false, - "prev": 34, + "prev": 38, "terminal_flag": false, - "phi": 57.7906395542835, + "phi": -57.5146856418094, "chainID": "A", "sidechain_GLN": null, - "ome": -178.751325882799, - "chi2": 38.739920119246, - "chi3": null, - "chi1": -166.664881738153, - "chi4": null, - "chi5": null, - "a1": 122.849696436926, - "L4": 1.51579739412748, - "L5": 1.23540008278422, - "L2": 1.4681908759869, - "L3": 1.52062731904354, - "a7": 122.452419336991, - "L1": 1.34972194373798, - "sidechain_ARG": null, + "ome": 179.175249087394, + "chi2": 172.671534769727, + "chi3": -94.0052016543864, + "chi1": 173.727504956526, + "chi4": -76.3260754470161, + "chi5": -1.53135271986145, + "a1": 120.546804825027, + "L4": 1.52316233596759, + "L5": 1.23540472267776, + "L2": 1.47076790476129, + "L3": 1.51622262392056, + "a7": 119.73302609023, + "L1": 1.3167114201466, + "sidechain_ARG": 3, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.052622166061, - "bs": 17.0, - "a2": 111.426479976051, - "a5": 120.581520983699, + "ss": "H", + "a3": 110.718947789949, + "bs": 12.0, + "a2": 108.213192837347, + "a5": 123.081494546702, "sidechain_LEU": null, - "chainIndex": 38, + "chainIndex": 20, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.028239995711 + "a4": 114.458785826572 } }, { - "pk": 36, + "pk": 43, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 119.601068828965, - "psi": -1.13464136797543, - "oldID": "36", - "bg": 9.13, + "a6": 116.102060114453, + "psi": 134.528454363405, + "oldID": "9", + "bg": 24.43, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.5298880596877, + "protein": "3CGM", + "zeta": 34.3241165409804, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 5, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 37, + "next": 46, "sidechain_SER": null, - "bm": 8.0, + "bm": 26.0, "xpr": false, - "prev": 35, + "prev": 40, "terminal_flag": false, - "phi": -113.626664332249, + "phi": -111.710581214196, "chainID": "A", "sidechain_GLN": null, - "ome": -174.954663844623, - "chi2": -172.382176938753, - "chi3": 176.291496029028, - "chi1": -74.525821245843, - "chi4": -167.380873434797, - "chi5": 0.844754718682431, - "a1": 123.070299941848, - "L4": 1.5259609598246, - "L5": 1.24461410012435, - "L2": 1.44837699974692, - "L3": 1.51525923794117, - "a7": 121.711147451596, - "L1": 1.3402209642436, - "sidechain_ARG": 4, + "ome": 174.546403364915, + "chi2": null, + "chi3": null, + "chi1": -172.259060013065, + "chi4": null, + "chi5": null, + "a1": 122.605131993289, + "L4": 1.51921348275847, + "L5": 1.24001980627343, + "L2": 1.45970482024755, + "L3": 1.5318165614859, + "a7": 122.282489194203, + "L1": 1.32295885339593, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.172278312961, - "bs": 10.0, - "a2": 110.28839886402, - "a5": 118.687678598641, + "ss": "E", + "a3": 110.047742419899, + "bs": 24.0, + "a2": 110.419518250519, + "a5": 121.603703234073, "sidechain_LEU": null, - "chainIndex": 39, + "chainIndex": 9, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.373188437693 + "a4": 110.30063947802 } }, { - "pk": 37, + "pk": 44, "model": "pgd_core.residue", "fields": { "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.805887734958, - "psi": 115.76610041366, - "oldID": "37", - "bg": 7.4, + "a6": 116.487739450681, + "psi": -30.9597110440399, + "oldID": "18", + "bg": 25.94, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.1427519602651, + "protein": "1MWW", + "zeta": 35.2322486935904, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 38, + "next": 47, "sidechain_SER": null, - "bm": 8.0, + "bm": 27.0, "xpr": false, - "prev": 36, + "prev": 41, "terminal_flag": false, - "phi": -100.852108630676, + "phi": -67.9988818815639, "chainID": "A", "sidechain_GLN": null, - "ome": 174.231813427736, - "chi2": 56.8189835568831, + "ome": -179.19247304419, + "chi2": 154.049868350975, "chi3": null, - "chi1": -174.669662366004, + "chi1": -97.5997281547476, "chi4": null, "chi5": null, - "a1": 122.216815570495, - "L4": 1.52762755581074, - "L5": 1.2478451351279, - "L2": 1.44753627226453, - "L3": 1.52230175540163, - "a7": 121.633646047357, - "L1": 1.3053893767413, + "a1": 117.736584784351, + "L4": 1.50998385616589, + "L5": 1.24316556943644, + "L2": 1.46958611424113, + "L3": 1.51194994981011, + "a7": 123.005096120252, + "L1": 1.33452269801448, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.484238847314, - "bs": 7.0, - "a2": 110.362102357102, - "a5": 120.539003492031, - "sidechain_LEU": 6, - "chainIndex": 40, + "ss": "H", + "a3": 111.728711335921, + "bs": 24.0, + "a2": 109.500509912313, + "a5": 120.506328952174, + "sidechain_LEU": 4, + "chainIndex": 18, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.709870832512 + "a4": 109.181319305957 } }, { - "pk": 38, + "pk": 45, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -65095,4635 +53418,4635 @@ "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.075330024773, - "psi": -53.7538980472905, - "oldID": "38", - "bg": 11.07, + "a6": 118.583264626639, + "psi": -39.3333485984379, + "oldID": "18", + "bg": 17.02, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 33.7364051250073, + "zeta": 33.4017262946926, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 39, + "next": 50, "sidechain_SER": null, - "bm": 7.0, + "bm": 10.0, "xpr": false, - "prev": 37, + "prev": 42, "terminal_flag": false, - "phi": -79.5873166824619, + "phi": -71.476402452417, "chainID": "A", "sidechain_GLN": null, - "ome": 175.405196953364, - "chi2": 67.5086595386799, + "ome": -177.555037433228, + "chi2": 175.299580286805, "chi3": null, - "chi1": -171.434063111814, + "chi1": -68.079569784331, "chi4": null, "chi5": null, - "a1": 121.434915032569, - "L4": 1.53585455713016, - "L5": 1.24677421262066, - "L2": 1.4454610441403, - "L3": 1.53148628554293, - "a7": 122.788902182323, - "L1": 1.32597198540311, + "a1": 120.01788006841, + "L4": 1.51956632405, + "L5": 1.24951193164472, + "L2": 1.44309200192427, + "L3": 1.53730192162339, + "a7": 121.150406328102, + "L1": 1.35595845116069, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.09597734166, - "bs": 13.0, - "a2": 109.134990267599, - "a5": 119.13571238888, - "sidechain_LEU": 7, - "chainIndex": 41, + "ss": "H", + "a3": 111.944321798085, + "bs": 19.0, + "a2": 109.076912889146, + "a5": 120.266047658314, + "sidechain_LEU": 5, + "chainIndex": 21, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.732797235406 + "a4": 112.488660178982 } }, { - "pk": 39, + "pk": 46, "model": "pgd_core.residue", "fields": { "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.499221759517, - "psi": 161.880373773631, - "oldID": "39", - "bg": 9.95, + "a6": 115.897873534891, + "psi": 128.116558206496, + "oldID": "10", + "bg": 30.39, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.2593084054493, + "protein": "3CGM", + "zeta": 34.0605545348744, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 2, + "sidechain_THR": 3, "sidechain_TRP": null, - "next": 40, + "next": 48, "sidechain_SER": null, - "bm": 6.0, + "bm": 29.0, "xpr": false, - "prev": 38, + "prev": 43, "terminal_flag": false, - "phi": -160.315774145049, + "phi": -106.206639407101, "chainID": "A", "sidechain_GLN": null, - "ome": 173.942091862706, + "ome": 176.401846448792, "chi2": null, "chi3": null, - "chi1": -164.776506878538, + "chi1": -55.3343707600071, "chi4": null, "chi5": null, - "a1": 121.49520521723, - "L4": 1.51148560528947, - "L5": 1.23631589640543, - "L2": 1.47056598713859, - "L3": 1.54193509022648, - "a7": 123.211991889759, - "L1": 1.31282548637482, + "a1": 120.584736020314, + "L4": 1.52113082015553, + "L5": 1.2504415616979, + "L2": 1.46668892373208, + "L3": 1.52316877524165, + "a7": 123.863815799849, + "L1": 1.32042410461543, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 109.401200548018, - "bs": 9.0, - "a2": 110.150832492007, - "a5": 121.280155439806, + "a3": 108.748982087805, + "bs": 29.0, + "a2": 110.331879485553, + "a5": 120.238129089392, "sidechain_LEU": null, - "chainIndex": 42, + "chainIndex": 10, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.956355584615 + "a4": 110.998235071467 } }, { - "pk": 40, + "pk": 47, "model": "pgd_core.residue", "fields": { "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 114.989315236552, - "psi": 152.774580451443, - "oldID": "40", + "a6": 116.41784008232, + "psi": -41.819314849883, + "oldID": "19", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.5991648757137, + "protein": "1MWW", + "zeta": 34.1079744576364, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 41, + "next": 49, "sidechain_SER": null, - "bm": 6.0, + "bm": 29.0, "xpr": false, - "prev": 39, + "prev": 44, "terminal_flag": false, - "phi": -160.350182163024, + "phi": -69.2292467702229, "chainID": "A", "sidechain_GLN": null, - "ome": 171.770409777236, + "ome": 178.553048355527, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 122.155888942119, - "L4": 1.52736718440888, - "L5": 1.24436891246646, - "L2": 1.45854392808524, - "L3": 1.53237878972464, - "a7": 124.226331690915, - "L1": 1.3216854199748, + "a1": 117.457373179875, + "L4": 1.51551157263401, + "L5": 1.21856383342661, + "L2": 1.45810773230329, + "L3": 1.55116349304646, + "a7": 122.205613252096, + "L1": 1.33775133415252, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.783921419601, - "bs": 6.0, - "a2": 111.897292138874, - "a5": 120.726915265016, + "ss": "H", + "a3": 107.625748125509, + "bs": 28.0, + "a2": 110.276659904235, + "a5": 121.36834042836, "sidechain_LEU": null, - "chainIndex": 43, + "chainIndex": 19, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.720937319927 + "a4": 111.7573483531 } }, { - "pk": 41, + "pk": 48, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.213000697, - "psi": 173.125443612875, - "oldID": "41", - "bg": 0.0, + "a6": 114.632321127357, + "psi": 151.333921444145, + "oldID": "11", + "bg": 25.59, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": null, + "sidechain_ILE": 4, + "protein": "3CGM", + "zeta": 33.8364192148458, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 42, + "next": 51, "sidechain_SER": null, - "bm": 6.0, + "bm": 28.0, "xpr": false, - "prev": 40, + "prev": 46, "terminal_flag": false, - "phi": 165.236431424703, + "phi": -126.78155840893, "chainID": "A", "sidechain_GLN": null, - "ome": -178.633756920666, - "chi2": null, + "ome": 166.78553638623, + "chi2": 173.527031394668, "chi3": null, - "chi1": null, + "chi1": 63.1355279567329, "chi4": null, "chi5": null, - "a1": 121.956801528646, - "L4": 1.4989123712114, - "L5": 1.23725412408718, - "L2": 1.45643963012406, - "L3": null, - "a7": 122.102067567656, - "L1": 1.3113203955278, + "a1": 120.311526808106, + "L4": 1.50718005385456, + "L5": 1.22998522468982, + "L2": 1.45439379141422, + "L3": 1.54041222305258, + "a7": 123.259580300439, + "L1": 1.3459079810553, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 111.468171084221, - "bs": 0.0, - "a2": null, - "a5": 122.684930384726, + "a3": 114.712024460397, + "bs": 25.0, + "a2": 112.363091660186, + "a5": 122.10745534692, "sidechain_LEU": null, - "chainIndex": 44, + "chainIndex": 11, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 107.63133553409 } }, { - "pk": 42, + "pk": 49, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 2, + "aa": "e", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 113.36277284814, - "psi": 164.05141347906, - "oldID": "42", - "bg": 9.1, + "a6": 116.429784324692, + "psi": -47.4694462097177, + "oldID": "20", + "bg": 49.25, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 38.7725785506539, + "protein": "1MWW", + "zeta": 34.520015837, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 43, + "next": 54, "sidechain_SER": null, - "bm": 6.0, + "bm": 33.0, "xpr": false, - "prev": 41, + "prev": 47, "terminal_flag": false, - "phi": -82.8100240768613, + "phi": -58.2466651699985, "chainID": "A", "sidechain_GLN": null, - "ome": 176.27209609291, - "chi2": -38.5158290885766, - "chi3": 27.566272653311, - "chi1": 33.7618586778166, - "chi4": -6.2813805705791, + "ome": -179.899019686488, + "chi2": 175.633299828081, + "chi3": -33.2473464811442, + "chi1": 169.766201106521, + "chi4": null, "chi5": null, - "a1": 121.703583813259, - "L4": 1.52345480212783, - "L5": 1.22041927918719, - "L2": 1.46004427507773, - "L3": 1.52757139184377, - "a7": 123.104152113333, - "L1": 1.33560837838426, + "a1": 119.854501335133, + "L4": 1.5104363476785, + "L5": 1.24729676922998, + "L2": 1.46419232932492, + "L3": 1.52335078150905, + "a7": 123.646058911669, + "L1": 1.32923282932469, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -4.04066819420276, - "ss": "E", - "a3": 110.881841027463, - "bs": 8.0, - "a2": 102.482218781082, - "a5": 123.504011356661, + "sidechain_GLU": 3, + "omep": null, + "ss": "H", + "a3": 111.290240592994, + "bs": 53.0, + "a2": 110.163386146248, + "a5": 119.913792006729, "sidechain_LEU": null, - "chainIndex": 45, + "chainIndex": 20, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.361615016704 + "a4": 109.822515556272 } }, { - "pk": 43, + "pk": 50, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "a", "sidechain_PRO": null, - "sidechain_ASN": 3, + "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.31809512334, - "psi": 100.5211115328, - "oldID": "43", - "bg": 6.57, + "a6": 117.320834446268, + "psi": -34.2485078245835, + "oldID": "19", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 34.8235331490422, + "zeta": 34.5981082007161, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 44, + "next": 52, "sidechain_SER": null, - "bm": 6.0, + "bm": 9.0, "xpr": false, - "prev": 42, + "prev": 45, "terminal_flag": false, - "phi": -110.666240151592, + "phi": -66.590095801125, "chainID": "A", "sidechain_GLN": null, - "ome": 177.559735309971, - "chi2": 110.292941654648, + "ome": -176.067165657992, + "chi2": null, "chi3": null, - "chi1": -61.5331015386514, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.677706984842, - "L4": 1.53587568833864, - "L5": 1.24089066000933, - "L2": 1.45168643395447, - "L3": 1.54025682138067, - "a7": 120.675021919469, - "L1": 1.34702344527149, + "a1": 122.137721689347, + "L4": 1.52350709613443, + "L5": 1.24059192926965, + "L2": 1.46892499593347, + "L3": 1.52485347924745, + "a7": 122.072243482492, + "L1": 1.33268688085536, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.249684917842, - "bs": 7.0, - "a2": 110.968893391157, - "a5": 121.002692353394, + "ss": "H", + "a3": 111.621354665925, + "bs": 11.0, + "a2": 109.171336503432, + "a5": 120.60441584461, "sidechain_LEU": null, - "chainIndex": 46, + "chainIndex": 22, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.300191297796 + "a4": 110.521792041509 } }, { - "pk": 44, + "pk": 51, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 3, + "aa": "r", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.893146867644, - "psi": 145.767418259181, - "oldID": "44", - "bg": 9.32, + "a6": 117.441850434411, + "psi": 136.445422829049, + "oldID": "12", + "bg": 37.57, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 38.1099499724021, + "protein": "3CGM", + "zeta": 34.1342042734557, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 45, + "next": 53, "sidechain_SER": null, - "bm": 7.0, + "bm": 31.0, "xpr": false, - "prev": 43, + "prev": 48, "terminal_flag": false, - "phi": -54.7159145435839, + "phi": -111.479862691292, "chainID": "A", "sidechain_GLN": null, - "ome": 178.855248916142, - "chi2": 39.2063437012664, - "chi3": -33.3016244733656, - "chi1": -29.252567017146, - "chi4": 16.0309986400858, - "chi5": null, - "a1": 121.858016366806, - "L4": 1.51556091588405, - "L5": 1.2282130206089, - "L2": 1.46678853576329, - "L3": 1.52738804668722, - "a7": 122.113505734182, - "L1": 1.33515032081798, - "sidechain_ARG": null, + "ome": -170.325225359875, + "chi2": 162.133046281921, + "chi3": -144.682405564914, + "chi1": -91.6443545827591, + "chi4": 159.790195882041, + "chi5": -0.492876374723227, + "a1": 122.10264821881, + "L4": 1.50028614080286, + "L5": 1.22249764324404, + "L2": 1.44287255246232, + "L3": 1.50781438119443, + "a7": 122.502728119515, + "L1": 1.32227395198395, + "sidechain_ARG": 4, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -6.18954334061171, + "omep": null, "ss": "E", - "a3": 111.927887613364, - "bs": 8.0, - "a2": 102.547075681364, - "a5": 121.825371468349, + "a3": 104.649565346191, + "bs": 43.0, + "a2": 111.07307988692, + "a5": 119.987780171527, "sidechain_LEU": null, - "chainIndex": 47, + "chainIndex": 12, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.05322535312 + "a4": 111.377908484428 } }, { - "pk": 45, + "pk": 52, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.50407840861, - "psi": -14.0706384638437, - "oldID": "45", - "bg": 0.0, + "a6": 116.819085589532, + "psi": 2.80956321509715, + "oldID": "20", + "bg": 9.79, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 35.1786660942069, + "zeta": 33.2703842059983, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 6, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 46, + "next": 56, "sidechain_SER": null, - "bm": 11.0, + "bm": 8.0, "xpr": false, - "prev": 44, + "prev": 50, "terminal_flag": false, - "phi": -79.9551391504302, + "phi": -96.4839696422398, "chainID": "A", "sidechain_GLN": null, - "ome": 172.048435633368, + "ome": -176.024304850992, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 177.071541104582, "chi4": null, "chi5": null, - "a1": 121.953450362377, - "L4": 1.52448937619227, - "L5": 1.23475476730041, - "L2": 1.44061465337346, - "L3": 1.54556369852407, - "a7": 124.235016147814, - "L1": 1.35934710140327, + "a1": 121.121554114325, + "L4": 1.54013264518799, + "L5": 1.23561998864863, + "L2": 1.46764697998808, + "L3": 1.56508398390143, + "a7": 121.405617709389, + "L1": 1.32760468933769, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.511306534436, - "bs": 11.0, - "a2": 109.683060658345, - "a5": 118.167552932675, + "ss": "T", + "a3": 111.756159887442, + "bs": 9.0, + "a2": 107.558193950441, + "a5": 121.680423107282, "sidechain_LEU": null, - "chainIndex": 48, + "chainIndex": 23, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.713909787205 + "a4": 114.269334472554 } }, { - "pk": 46, + "pk": 53, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.794112763366, - "psi": 170.419162967729, - "oldID": "46", - "bg": 12.8, + "a6": 113.764558885826, + "psi": 158.88310386955, + "oldID": "13", + "bg": 32.7, "sidechain_CYS": null, - "sidechain_ILE": 3, - "protein": "1MWQ", - "zeta": 32.867860976048, + "sidechain_ILE": null, + "protein": "3CGM", + "zeta": 34.8616255904007, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 47, + "next": 57, "sidechain_SER": null, - "bm": 9.0, + "bm": 32.0, "xpr": false, - "prev": 45, + "prev": 51, "terminal_flag": false, - "phi": -125.399288771766, + "phi": -148.660213504253, "chainID": "A", "sidechain_GLN": null, - "ome": -175.440235136889, - "chi2": 165.331889644142, + "ome": 167.893141561604, + "chi2": -86.6120947347676, "chi3": null, - "chi1": 61.5872006841174, + "chi1": 66.2474343833613, "chi4": null, "chi5": null, - "a1": 124.297057015387, - "L4": 1.50912442651166, - "L5": 1.25832969796585, - "L2": 1.45439594263758, - "L3": 1.55402602503011, - "a7": 122.147655332233, - "L1": 1.30698984004829, + "a1": 119.742404782368, + "L4": 1.51581225598907, + "L5": 1.2467190972259, + "L2": 1.45248842799569, + "L3": 1.54604093415197, + "a7": 124.430443181368, + "L1": 1.31954674154426, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 3, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.192055312361, - "bs": 14.0, - "a2": 111.90648206408, - "a5": 120.040906397265, + "ss": "E", + "a3": 110.922873450295, + "bs": 34.0, + "a2": 110.849289170986, + "a5": 121.789509654439, "sidechain_LEU": null, - "chainIndex": 49, + "chainIndex": 13, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.211771995039 + "a4": 109.063048856116 } }, { - "pk": 47, + "pk": 54, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", - "sidechain_ASP": 2, - "a6": 115.46162848662, - "psi": 68.0242138643115, - "oldID": "47", - "bg": 9.37, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 116.455787736556, + "psi": -42.5632859300338, + "oldID": "21", + "bg": 41.61, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.9749539715628, + "protein": "1MWW", + "zeta": 35.5918293133879, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 7, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 48, + "next": 55, "sidechain_SER": null, - "bm": 10.0, + "bm": 34.0, "xpr": false, - "prev": 46, + "prev": 49, "terminal_flag": false, - "phi": -82.2961019781945, + "phi": -61.2467720733641, "chainID": "A", "sidechain_GLN": null, - "ome": -175.24323891199, - "chi2": 23.9226335991624, + "ome": 178.256080203748, + "chi2": null, "chi3": null, - "chi1": -169.669783554558, + "chi1": 160.193819614906, "chi4": null, "chi5": null, - "a1": 122.470355978016, - "L4": 1.53794167225891, - "L5": 1.23327975236232, - "L2": 1.46022274980117, - "L3": 1.51208372637881, - "a7": 124.413346986645, - "L1": 1.31932537193523, + "a1": 122.178397505993, + "L4": 1.51790073317508, + "L5": 1.22376458995412, + "L2": 1.48988220581317, + "L3": 1.58148760580625, + "a7": 123.06666265026, + "L1": 1.34979193734035, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.983309838038, - "bs": 9.0, - "a2": 109.535102632151, - "a5": 120.104561764311, + "ss": "H", + "a3": 112.217125801724, + "bs": 46.0, + "a2": 113.310790098357, + "a5": 120.383990952033, "sidechain_LEU": null, - "chainIndex": 50, + "chainIndex": 21, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.472910897027 + "a4": 105.267131015957 } }, { - "pk": 48, + "pk": 55, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", - "sidechain_ASP": 3, - "a6": 117.751119437022, - "psi": 128.143948859388, - "oldID": "48", - "bg": 14.47, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 116.70655309334, + "psi": -51.0693379861349, + "oldID": "22", + "bg": 20.78, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.301494617985, + "sidechain_ILE": 5, + "protein": "1MWW", + "zeta": 34.7541258422408, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 49, + "next": 58, "sidechain_SER": null, - "bm": 11.0, + "bm": 28.0, "xpr": false, - "prev": 47, + "prev": 54, "terminal_flag": false, - "phi": -158.470735531098, + "phi": -67.259832418841, "chainID": "A", "sidechain_GLN": null, - "ome": 177.584670448994, - "chi2": -29.6675050865794, + "ome": 177.767651431682, + "chi2": 155.299531132116, "chi3": null, - "chi1": -164.937771159551, + "chi1": -70.8789735378546, "chi4": null, "chi5": null, - "a1": 123.191496497019, - "L4": 1.5160295571124, - "L5": 1.21974020851922, - "L2": 1.45679069015674, - "L3": 1.53209510819183, - "a7": 123.644337893716, - "L1": 1.31806086058738, + "a1": 120.905993314097, + "L4": 1.52007077092062, + "L5": 1.2485408469596, + "L2": 1.47953174836177, + "L3": 1.58637606390125, + "a7": 122.942721401748, + "L1": 1.34217926808392, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.963935075535, - "bs": 15.0, - "a2": 109.965141191357, - "a5": 118.603283559616, + "ss": "H", + "a3": 108.135585422716, + "bs": 22.0, + "a2": 112.170319066341, + "a5": 120.309546430844, "sidechain_LEU": null, - "chainIndex": 51, + "chainIndex": 22, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.928789220028 + "a4": 108.978192130008 } }, { - "pk": 49, + "pk": 56, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.639206148886, - "psi": -23.7397787873668, - "oldID": "49", - "bg": 24.26, + "a6": 120.436031121264, + "psi": -43.6770394219584, + "oldID": "21", + "bg": 8.23, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 35.5512091278032, + "zeta": 34.6905518582541, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 50, + "next": 61, "sidechain_SER": null, - "bm": 15.0, + "bm": 8.0, "xpr": false, - "prev": 48, + "prev": 52, "terminal_flag": false, - "phi": -61.7947397045684, + "phi": -59.1293156355734, "chainID": "A", "sidechain_GLN": null, - "ome": 177.95083820962, - "chi2": -160.436319427022, - "chi3": -18.9923806013173, - "chi1": -68.2728908355678, - "chi4": null, - "chi5": null, - "a1": 118.622265102338, - "L4": 1.51756054203262, - "L5": 1.22254404041946, - "L2": 1.48285906297719, - "L3": 1.52292105610064, - "a7": 124.712279372184, - "L1": 1.3143796608728, - "sidechain_ARG": null, + "ome": -175.790939489987, + "chi2": 137.227292006191, + "chi3": -175.554015810909, + "chi1": -162.098981951105, + "chi4": 79.8795915124897, + "chi5": 1.45947303513759, + "a1": 120.541278267806, + "L4": 1.51942894745737, + "L5": 1.25175685092833, + "L2": 1.46337851219453, + "L3": 1.53750436968449, + "a7": 121.880568101736, + "L1": 1.3324539609589, + "sidechain_ARG": 5, "sidechain_TYR": null, - "sidechain_GLU": 4, + "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 113.012539398969, - "bs": 29.0, - "a2": 109.132239365543, - "a5": 118.556158920404, + "ss": "H", + "a3": 112.080818727056, + "bs": 10.0, + "a2": 109.167319536996, + "a5": 117.614052665454, "sidechain_LEU": null, - "chainIndex": 52, + "chainIndex": 24, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.746315475107 + "a4": 110.461408934251 } }, { - "pk": 50, + "pk": 57, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "t", "sidechain_PRO": null, - "sidechain_ASN": 4, - "chain": "1MWQA", + "sidechain_ASN": null, + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.754577665229, - "psi": 83.7279346786224, - "oldID": "50", - "bg": 15.48, + "a6": 115.770017552935, + "psi": 123.708890006047, + "oldID": "14", + "bg": 37.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.9548472005666, + "protein": "3CGM", + "zeta": 35.642972263304, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 4, "sidechain_TRP": null, - "next": 51, + "next": 60, "sidechain_SER": null, - "bm": 12.0, + "bm": 35.0, "xpr": false, - "prev": 49, + "prev": 53, "terminal_flag": false, - "phi": -116.779559082915, + "phi": -129.660111811254, "chainID": "A", "sidechain_GLN": null, - "ome": -169.987525549341, - "chi2": -52.3126997552474, + "ome": 178.945813665382, + "chi2": null, "chi3": null, - "chi1": -63.5615023161523, + "chi1": -75.9150425204563, "chi4": null, "chi5": null, - "a1": 123.874586165169, - "L4": 1.51682064927483, - "L5": 1.2340201453508, - "L2": 1.45594123506935, - "L3": 1.51351587638702, - "a7": 123.369429821692, - "L1": 1.33494572744174, + "a1": 123.59382499053, + "L4": 1.532156979302, + "L5": 1.25270004888842, + "L2": 1.45036450386201, + "L3": 1.52393832777823, + "a7": 123.582519069178, + "L1": 1.32822917224745, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.3890441126, - "bs": 17.0, - "a2": 112.209741981688, - "a5": 118.671013681107, + "ss": "E", + "a3": 106.561472374283, + "bs": 37.0, + "a2": 110.638967405984, + "a5": 120.593835874058, "sidechain_LEU": null, - "chainIndex": 53, + "chainIndex": 14, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.157404741491 + "a4": 108.875740684421 } }, { - "pk": 51, + "pk": 58, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 4, + "aa": "y", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.108480680106, - "psi": -0.0333279397901507, - "oldID": "51", - "bg": 12.62, + "a6": 116.388305212121, + "psi": -44.2998428897038, + "oldID": "23", + "bg": 25.18, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 38.9573474239199, + "protein": "1MWW", + "zeta": 34.2985490906346, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 52, + "next": 59, "sidechain_SER": null, - "bm": 10.0, + "bm": 32.0, "xpr": false, - "prev": 50, + "prev": 55, "terminal_flag": false, - "phi": -79.4540628172129, + "phi": -57.0923317940631, "chainID": "A", "sidechain_GLN": null, - "ome": 179.177012770505, - "chi2": -40.4722777445643, - "chi3": 32.9436628093396, - "chi1": 31.8868361534846, - "chi4": -12.6190409361507, + "ome": 179.734972000473, + "chi2": -38.8077590704829, + "chi3": null, + "chi1": -83.8000086249566, + "chi4": null, "chi5": null, - "a1": 120.545783940913, - "L4": 1.52266083038691, - "L5": 1.24091196823549, - "L2": 1.48445574665596, - "L3": 1.54439636236199, - "a7": 124.494191071545, - "L1": 1.34354477644599, + "a1": 118.905196089322, + "L4": 1.55232487569025, + "L5": 1.24464107908329, + "L2": 1.47788181525186, + "L3": 1.54979375075087, + "a7": 121.526922658581, + "L1": 1.34390096703772, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 4, "sidechain_GLU": null, - "omep": 1.23338919561376, - "ss": "-", - "a3": 115.236150323363, - "bs": 12.0, - "a2": 102.487305797762, - "a5": 119.394499462217, + "omep": null, + "ss": "H", + "a3": 104.758757180875, + "bs": 30.0, + "a2": 110.618674926825, + "a5": 121.897382657232, "sidechain_LEU": null, - "chainIndex": 54, + "chainIndex": 23, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.344711612191 + "a4": 111.514184843853 } }, { - "pk": 52, + "pk": 59, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1MWQA", + "sidechain_ASN": 2, + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 119.060167309764, - "psi": -136.875465411514, - "oldID": "52", - "bg": 23.91, + "a6": 119.440925610042, + "psi": -42.1897638742992, + "oldID": "24", + "bg": 52.77, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.224532303132, + "protein": "1MWW", + "zeta": 32.6887047962906, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 53, - "sidechain_SER": 1, - "bm": 12.0, + "next": 64, + "sidechain_SER": null, + "bm": 37.0, "xpr": false, - "prev": 51, + "prev": 58, "terminal_flag": false, - "phi": 54.8052447324318, + "phi": -57.0020691815354, "chainID": "A", "sidechain_GLN": null, - "ome": -171.349733911806, - "chi2": null, + "ome": -179.137523781726, + "chi2": 64.2487229273983, "chi3": null, - "chi1": -48.0902052620458, + "chi1": -162.499517096877, "chi4": null, "chi5": null, - "a1": 120.982226194598, - "L4": 1.51498868511789, - "L5": 1.26615414424412, - "L2": 1.45771084126898, - "L3": 1.55985809601453, - "a7": 118.604322096177, - "L1": 1.32759381256284, + "a1": 116.627090453616, + "L4": 1.52786617609623, + "L5": 1.18845530635762, + "L2": 1.45551225281826, + "L3": 1.51466099835821, + "a7": 121.772385489154, + "L1": 1.33019238204099, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.31644663167, - "bs": 20.0, - "a2": 109.087256463717, - "a5": 122.326706409079, + "ss": "H", + "a3": 116.401127070866, + "bs": 52.0, + "a2": 111.472674599011, + "a5": 118.781843578844, "sidechain_LEU": null, - "chainIndex": 55, + "chainIndex": 24, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.835229396006 + "a4": 109.002882288254 } }, { - "pk": 53, + "pk": 60, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 119.375049838254, - "psi": -18.1692468311746, - "oldID": "53", - "bg": 23.94, + "a6": 115.776126816593, + "psi": 124.246079005562, + "oldID": "15", + "bg": 34.22, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 36.6659806192884, + "protein": "3CGM", + "zeta": 34.9818092537201, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 54, + "next": 62, "sidechain_SER": null, - "bm": 14.0, + "bm": 34.0, "xpr": false, - "prev": 52, + "prev": 57, "terminal_flag": false, - "phi": -68.7164560368377, + "phi": -104.737147135562, "chainID": "A", "sidechain_GLN": null, - "ome": 176.390208107126, - "chi2": 90.9620842385506, - "chi3": -6.04878545549272, - "chi1": -68.541703240642, + "ome": -179.841671267242, + "chi2": 56.7281405260655, + "chi3": null, + "chi1": 164.368912301309, "chi4": null, "chi5": null, - "a1": 121.519302487449, - "L4": 1.51830498725931, - "L5": 1.23061030511463, - "L2": 1.45573516981868, - "L3": 1.53337651875825, - "a7": 122.599972772505, - "L1": 1.33526778835416, + "a1": 122.44735860881, + "L4": 1.50010751509223, + "L5": 1.21631965070232, + "L2": 1.45194239568136, + "L3": 1.52544554786929, + "a7": 122.690816923766, + "L1": 1.33147354069232, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 5, + "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.168231820904, - "bs": 26.0, - "a2": 109.187628009705, - "a5": 118.022021613527, - "sidechain_LEU": null, - "chainIndex": 56, + "ss": "E", + "a3": 109.076896687657, + "bs": 33.0, + "a2": 111.180237743867, + "a5": 121.533051140893, + "sidechain_LEU": 6, + "chainIndex": 15, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.890700324472 + "a4": 108.930897632249 } }, { - "pk": 54, + "pk": 61, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.996970210663, - "psi": -26.1765352907433, - "oldID": "54", - "bg": 0.0, + "a6": 117.807408715681, + "psi": -46.551516843917, + "oldID": "22", + "bg": 18.77, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 33.2030029058758, + "zeta": 33.894235289376, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 55, + "next": 63, "sidechain_SER": null, - "bm": 11.0, + "bm": 8.0, "xpr": false, - "prev": 53, + "prev": 56, "terminal_flag": false, - "phi": -64.0498517251987, + "phi": -58.1915680283768, "chainID": "A", "sidechain_GLN": null, - "ome": 175.360522228327, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -179.004921005692, + "chi2": -170.710253927228, + "chi3": -12.0193689088657, + "chi1": -178.875595531234, "chi4": null, "chi5": null, - "a1": 120.25650425426, - "L4": 1.54099186172706, - "L5": 1.22469613512302, - "L2": 1.47542970593195, - "L3": 1.51912324701695, - "a7": 123.763730416243, - "L1": 1.34287237563667, + "a1": 119.714532851695, + "L4": 1.50852268734252, + "L5": 1.23091260165942, + "L2": 1.46766566873006, + "L3": 1.52366078635383, + "a7": 121.460152502874, + "L1": 1.31879418057936, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 4, "omep": null, - "ss": "G", - "a3": 111.193171980909, - "bs": 13.0, - "a2": 111.857400087011, - "a5": 119.186830399155, + "ss": "H", + "a3": 111.575734227267, + "bs": 21.0, + "a2": 108.682823638427, + "a5": 120.692891027355, "sidechain_LEU": null, - "chainIndex": 57, + "chainIndex": 25, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.709451807859 + "a4": 112.080176992635 } }, { - "pk": 55, + "pk": 62, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 114.763216160093, - "psi": -148.40244983775, - "oldID": "55", - "bg": 0.0, + "a6": 116.175654407664, + "psi": 131.767540175732, + "oldID": "16", + "bg": 43.55, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": null, + "protein": "3CGM", + "zeta": 34.1063244531556, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 56, + "next": 65, "sidechain_SER": null, - "bm": 9.0, + "bm": 36.0, "xpr": false, - "prev": 54, + "prev": 60, "terminal_flag": false, - "phi": 64.0239205164992, + "phi": -127.510538088092, "chainID": "A", - "sidechain_GLN": null, - "ome": -165.414666564179, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 3, + "ome": 179.762455230141, + "chi2": 173.90050080119, + "chi3": -23.1454161720656, + "chi1": -170.881273178391, "chi4": null, "chi5": null, - "a1": 121.232971385661, - "L4": 1.52076112604727, - "L5": 1.2424417344246, - "L2": 1.44893886404023, - "L3": null, - "a7": 123.946441739622, - "L1": 1.32620521140261, + "a1": 121.718836906858, + "L4": 1.52397363078796, + "L5": 1.23154923525075, + "L2": 1.45803860075357, + "L3": 1.52957252572431, + "a7": 122.982216164624, + "L1": 1.32891990081905, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 114.091793763607, - "bs": 0.0, - "a2": null, - "a5": 121.144430856736, + "ss": "E", + "a3": 111.316099392368, + "bs": 44.0, + "a2": 110.464402921394, + "a5": 120.842107269085, "sidechain_LEU": null, - "chainIndex": 58, + "chainIndex": 16, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.130186820504 } }, { - "pk": 56, + "pk": 63, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.37956691358, - "psi": 159.089652510733, - "oldID": "56", - "bg": 9.51, + "a6": 117.903869382309, + "psi": -34.8525189169766, + "oldID": "23", + "bg": 10.83, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 35.3039790376242, - "sidechain_PHE": 2, + "zeta": 33.5355921518361, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 57, + "next": 66, "sidechain_SER": null, - "bm": 9.0, + "bm": 7.0, "xpr": false, - "prev": 55, + "prev": 61, "terminal_flag": false, - "phi": -129.465917082942, + "phi": -70.278874897713, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.800254074328, - "chi2": 87.4838480301029, - "chi3": null, - "chi1": -56.4955685985307, + "sidechain_GLN": 4, + "ome": 173.271860103351, + "chi2": -66.3029913934295, + "chi3": 118.112655161514, + "chi1": -72.7578266430553, "chi4": null, "chi5": null, - "a1": 123.9878862247, - "L4": 1.51182998309393, - "L5": 1.2336829246697, - "L2": 1.46459267337849, - "L3": 1.53707481445937, - "a7": 122.260180130236, - "L1": 1.32514241359987, + "a1": 119.621799962586, + "L4": 1.53102790425654, + "L5": 1.24724091142973, + "L2": 1.44892015923533, + "L3": 1.52819189043152, + "a7": 121.783745563316, + "L1": 1.34564735588367, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.655818892791, - "bs": 10.0, - "a2": 109.741221963411, - "a5": 120.345799075713, + "ss": "H", + "a3": 111.219228045886, + "bs": 17.0, + "a2": 110.521015179726, + "a5": 120.295159286274, "sidechain_LEU": null, - "chainIndex": 59, + "chainIndex": 26, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.466143924282 + "a4": 110.910527529323 } }, { - "pk": 57, + "pk": 64, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.537960229907, - "psi": -2.92497526912774, - "oldID": "57", - "bg": 9.28, + "a6": 117.507821017302, + "psi": -21.8599413640384, + "oldID": "25", + "bg": 36.04, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.9532777250425, + "protein": "1MWW", + "zeta": 35.6253956890003, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 3, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 58, - "sidechain_SER": null, - "bm": 8.0, + "next": 68, + "sidechain_SER": 2, + "bm": 31.0, "xpr": false, - "prev": 56, + "prev": 59, "terminal_flag": false, - "phi": -110.078189672828, + "phi": -82.3362765687899, "chainID": "A", "sidechain_GLN": null, - "ome": -174.206743532109, + "ome": 176.596442203389, "chi2": null, "chi3": null, - "chi1": 69.1808114041971, + "chi1": -28.4437513785644, "chi4": null, "chi5": null, - "a1": 122.222041949434, - "L4": 1.50329964785872, - "L5": 1.26314863442573, - "L2": 1.43321011621518, - "L3": 1.55655598303761, - "a7": 122.571489790904, - "L1": 1.33387119021917, + "a1": 122.06961250595, + "L4": 1.49913847673873, + "L5": 1.24077817154627, + "L2": 1.47029990888393, + "L3": 1.54897097916684, + "a7": 122.874174705879, + "L1": 1.33818739022579, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.518208360706, - "bs": 9.0, - "a2": 112.108102079175, - "a5": 119.840423478701, + "ss": "H", + "a3": 111.678199535004, + "bs": 34.0, + "a2": 111.678031830022, + "a5": 119.291618078699, "sidechain_LEU": null, - "chainIndex": 60, + "chainIndex": 25, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.128802303942 + "a4": 106.927016281058 } }, { - "pk": 58, + "pk": 65, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 114.360316756145, - "psi": -163.993059231891, - "oldID": "58", - "bg": 0.0, + "a6": 116.219427335561, + "psi": 113.56756412299, + "oldID": "17", + "bg": 36.58, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": null, + "protein": "3CGM", + "zeta": 34.2263059302312, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 8, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 59, + "next": 67, "sidechain_SER": null, - "bm": 7.0, + "bm": 38.0, "xpr": false, - "prev": 57, + "prev": 62, "terminal_flag": false, - "phi": 157.050804001819, + "phi": -120.541666565662, "chainID": "A", "sidechain_GLN": null, - "ome": -179.564459512799, + "ome": -179.711004406958, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 173.166120350394, "chi4": null, "chi5": null, - "a1": 121.07631742131, - "L4": 1.52655711588822, - "L5": 1.22615302676567, - "L2": 1.45346926743677, - "L3": null, - "a7": 125.122384417888, - "L1": 1.32191615548368, + "a1": 121.724244330256, + "L4": 1.5243606532539, + "L5": 1.23152846723882, + "L2": 1.45856280341634, + "L3": 1.54018165228251, + "a7": 122.982050943501, + "L1": 1.32907990848525, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.660824459541, - "bs": 0.0, - "a2": null, - "a5": 120.517084387859, + "a3": 111.120533153545, + "bs": 37.0, + "a2": 111.471427577034, + "a5": 120.798449303015, "sidechain_LEU": null, - "chainIndex": 61, + "chainIndex": 17, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.115797942738 } }, { - "pk": 59, + "pk": 66, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.058711323785, - "psi": 161.184765544506, - "oldID": "59", - "bg": 11.93, + "a6": 116.775209701616, + "psi": -49.2398224705659, + "oldID": "24", + "bg": 6.84, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 36.8841152091406, + "zeta": 33.9034505839692, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 60, - "sidechain_SER": 2, + "next": 70, + "sidechain_SER": null, "bm": 6.0, "xpr": false, - "prev": 58, + "prev": 63, "terminal_flag": false, - "phi": -143.24917984016, + "phi": -57.8289894173622, "chainID": "A", "sidechain_GLN": null, - "ome": 176.427295733555, + "ome": -178.981235791009, "chi2": null, "chi3": null, - "chi1": -58.4642577689523, + "chi1": 169.78757743615, "chi4": null, "chi5": null, - "a1": 124.043903096807, - "L4": 1.51279089195806, - "L5": 1.23372851264772, - "L2": 1.44589098369903, - "L3": 1.52648978992931, - "a7": 124.080876133469, - "L1": 1.32186802776637, + "a1": 121.843078884906, + "L4": 1.53053996452421, + "L5": 1.25837848708103, + "L2": 1.46086431193064, + "L3": 1.51843385214581, + "a7": 121.494427889816, + "L1": 1.32047096961276, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.299157994103, - "bs": 10.0, - "a2": 110.787439501371, - "a5": 120.817224602005, + "ss": "H", + "a3": 110.038800752027, + "bs": 7.0, + "a2": 108.528994337202, + "a5": 121.711713702184, "sidechain_LEU": null, - "chainIndex": 62, - "sidechain_HIS": null, + "chainIndex": 27, + "sidechain_HIS": 2, "h_bond_energy": 0.0, - "a4": 106.365501743733 + "a4": 112.565790944472 } }, { - "pk": 60, + "pk": 67, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.87105613768, - "psi": 130.524006987663, - "oldID": "60", - "bg": 8.39, + "a6": 116.177886458273, + "psi": 42.6926147808137, + "oldID": "18", + "bg": 43.19, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.5053888089133, + "protein": "3CGM", + "zeta": 34.1020623921463, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 4, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 61, + "next": 69, "sidechain_SER": null, - "bm": 6.0, + "bm": 45.0, "xpr": false, - "prev": 59, + "prev": 65, "terminal_flag": false, - "phi": -133.38558564567, + "phi": 65.0659915280764, "chainID": "A", "sidechain_GLN": null, - "ome": 175.168910918329, - "chi2": null, - "chi3": null, - "chi1": -57.6493843443511, + "ome": -179.700479202619, + "chi2": 148.837537782187, + "chi3": 24.0858968035385, + "chi1": -89.0293994075164, "chi4": null, "chi5": null, - "a1": 122.407139501057, - "L4": 1.53629929483912, - "L5": 1.22199544903278, - "L2": 1.44858755077873, - "L3": 1.53864407414717, - "a7": 123.860904584734, - "L1": 1.34717219921657, + "a1": 121.642631167076, + "L4": 1.52516581925958, + "L5": 1.23136131308342, + "L2": 1.45788321956084, + "L3": 1.52974576481603, + "a7": 123.028528318259, + "L1": 1.32910632369201, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 5, "omep": null, - "ss": "E", - "a3": 107.544820723421, - "bs": 8.0, - "a2": 110.445289348557, - "a5": 120.241269987629, + "ss": "T", + "a3": 111.042377266497, + "bs": 44.0, + "a2": 110.550006070833, + "a5": 120.793554391913, "sidechain_LEU": null, - "chainIndex": 63, + "chainIndex": 18, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.249216629094 + "a4": 110.132772745991 } }, { - "pk": 61, + "pk": 68, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.87447746007, - "psi": 138.6165680078, - "oldID": "61", - "bg": 9.12, + "a6": 114.369419321798, + "psi": -43.8026717905845, + "oldID": "26", + "bg": 29.73, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.2678647942071, + "protein": "1MWW", + "zeta": 35.224607480762, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 3, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 62, + "next": 72, "sidechain_SER": null, - "bm": 6.0, + "bm": 31.0, "xpr": false, - "prev": 60, + "prev": 64, "terminal_flag": false, - "phi": -128.032115257232, + "phi": -72.0606204435502, "chainID": "A", "sidechain_GLN": null, - "ome": 165.905472117276, - "chi2": null, + "ome": 179.571183123399, + "chi2": 178.953588070205, "chi3": null, - "chi1": 177.358858673672, + "chi1": -77.8127032999872, "chi4": null, "chi5": null, - "a1": 123.451443732307, - "L4": 1.52340452282167, - "L5": 1.23801265566959, - "L2": 1.46607830219251, - "L3": 1.53715849051435, - "a7": 122.182263058173, - "L1": 1.34196694343833, + "a1": 118.240179746309, + "L4": 1.53183093967359, + "L5": 1.25228338901593, + "L2": 1.47338834078524, + "L3": 1.53399456244085, + "a7": 123.635941618021, + "L1": 1.3445122398598, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.664825455717, - "bs": 8.0, - "a2": 112.124718640357, - "a5": 119.819930216558, - "sidechain_LEU": null, - "chainIndex": 64, + "ss": "H", + "a3": 105.152624851083, + "bs": 28.0, + "a2": 110.735951183925, + "a5": 121.994562000383, + "sidechain_LEU": 7, + "chainIndex": 26, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.796013697403 + "a4": 109.744274735405 } }, { - "pk": 62, + "pk": 69, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.392478969267, - "psi": 120.415390496538, - "oldID": "62", - "bg": 10.07, + "a6": 117.829022183922, + "psi": -1.45684921755107, + "oldID": "19", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 4, - "protein": "1MWQ", - "zeta": 31.0466636921642, + "sidechain_ILE": null, + "protein": "3CGM", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 63, + "next": 71, "sidechain_SER": null, - "bm": 6.0, + "bm": 51.0, "xpr": false, - "prev": 61, + "prev": 67, "terminal_flag": false, - "phi": -125.289418287429, + "phi": 75.2336264135833, "chainID": "A", "sidechain_GLN": null, - "ome": -174.176141867406, - "chi2": -178.786875006704, + "ome": 175.553118885557, + "chi2": null, "chi3": null, - "chi1": -57.050484804717, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.034244631389, - "L4": 1.5310019803985, - "L5": 1.23213051711036, - "L2": 1.45376876027871, - "L3": 1.50766231728097, - "a7": 123.423764710856, - "L1": 1.31671983691804, + "a1": 121.758250899366, + "L4": 1.52972952976633, + "L5": 1.23471097465757, + "L2": 1.4514122309059, + "L3": null, + "a7": 122.989615757609, + "L1": 1.32870312132754, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.332461389367, - "bs": 9.0, - "a2": 113.881802691378, - "a5": 120.170735294265, + "ss": "T", + "a3": 117.098909411574, + "bs": 0.0, + "a2": null, + "a5": 119.177759438924, "sidechain_LEU": null, - "chainIndex": 65, + "chainIndex": 19, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.577626391234 + "a4": null } }, { - "pk": 63, + "pk": 70, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 113.606385933203, - "psi": 160.860036788638, - "oldID": "63", - "bg": 0.0, + "a6": 117.965716634358, + "psi": -36.4205664097041, + "oldID": "25", + "bg": 8.59, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 33.5799078653351, + "zeta": 33.2673738127329, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 64, + "next": 73, "sidechain_SER": null, - "bm": 6.0, + "bm": 7.0, "xpr": false, - "prev": 62, + "prev": 66, "terminal_flag": false, - "phi": -155.341769081103, + "phi": -61.5006205269927, "chainID": "A", "sidechain_GLN": null, - "ome": 174.86930133673, - "chi2": null, + "ome": -177.619783778919, + "chi2": 171.401789926191, "chi3": null, - "chi1": null, + "chi1": -70.1822757275052, "chi4": null, "chi5": null, - "a1": 120.723484140737, - "L4": 1.52955880897348, - "L5": 1.21542204897927, - "L2": 1.45925845308279, - "L3": 1.50098702023254, - "a7": 124.40891081412, - "L1": 1.33205772083536, + "a1": 122.421657253134, + "L4": 1.51564709744035, + "L5": 1.22396579889876, + "L2": 1.4701108607342, + "L3": 1.52301905602451, + "a7": 121.009548167261, + "L1": 1.31810214780544, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.919413469252, - "bs": 7.0, - "a2": 111.93557660066, - "a5": 121.932596426413, - "sidechain_LEU": null, - "chainIndex": 66, + "ss": "H", + "a3": 111.856793643801, + "bs": 9.0, + "a2": 111.272423229759, + "a5": 120.996509293597, + "sidechain_LEU": 8, + "chainIndex": 28, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.755963341671 + "a4": 110.203932615698 } }, { - "pk": 64, + "pk": 71, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.096826398711, - "psi": 140.69574201794, - "oldID": "64", - "bg": 9.54, + "a6": 115.458644889107, + "psi": 136.979612225838, + "oldID": "20", + "bg": 53.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.1332133959935, + "protein": "3CGM", + "zeta": 31.2584291949662, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 65, + "next": 74, "sidechain_SER": null, - "bm": 7.0, + "bm": 48.0, "xpr": false, - "prev": 63, + "prev": 69, "terminal_flag": false, - "phi": -87.0182191788757, + "phi": -111.067648039405, "chainID": "A", - "sidechain_GLN": 5, - "ome": 174.730112432473, - "chi2": 171.36198599843, - "chi3": -63.3385537110897, - "chi1": -67.8914828554056, + "sidechain_GLN": null, + "ome": -174.982971169719, + "chi2": -73.1576649410324, + "chi3": -45.9440265591061, + "chi1": -62.5799624895434, "chi4": null, "chi5": null, - "a1": 121.544025064275, - "L4": 1.50921109004382, - "L5": 1.24787075510254, - "L2": 1.46797723196783, - "L3": 1.51718843013784, - "a7": 123.780638658757, - "L1": 1.34125293387943, + "a1": 120.48393294559, + "L4": 1.53879651392406, + "L5": 1.23033905879107, + "L2": 1.45885273071675, + "L3": 1.52056666998603, + "a7": 123.086196113478, + "L1": 1.33309692522575, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 6, "omep": null, "ss": "E", - "a3": 111.010331089215, - "bs": 11.0, - "a2": 110.116734324542, - "a5": 121.077103816755, + "a3": 114.041337978965, + "bs": 54.0, + "a2": 110.32470135101, + "a5": 121.442504781077, "sidechain_LEU": null, - "chainIndex": 67, + "chainIndex": 20, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.982101457124 + "a4": 112.913818356432 } }, { - "pk": 65, + "pk": 72, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.09612626448, - "psi": 168.115291191665, - "oldID": "65", - "bg": 7.69, + "a6": 113.910409516569, + "psi": -61.7242674905626, + "oldID": "27", + "bg": 61.87, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.6342376566482, - "sidechain_PHE": 3, + "protein": "1MWW", + "zeta": 35.3397166457456, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 66, + "next": 76, "sidechain_SER": null, - "bm": 8.0, + "bm": 41.0, "xpr": false, - "prev": 64, + "prev": 68, "terminal_flag": false, - "phi": -137.949276171828, + "phi": -65.4004198851391, "chainID": "A", "sidechain_GLN": null, - "ome": -178.75507965885, - "chi2": -85.6339590820647, + "ome": -177.631636997495, + "chi2": null, "chi3": null, - "chi1": -63.5497278924142, + "chi1": 176.347642979233, "chi4": null, "chi5": null, - "a1": 123.933882559266, - "L4": 1.51488261981645, - "L5": 1.22841590000416, - "L2": 1.45082742761113, - "L3": 1.53815543615556, - "a7": 123.050140565626, - "L1": 1.33416805465281, + "a1": 120.14127227674, + "L4": 1.51100063503804, + "L5": 1.24050565167427, + "L2": 1.45888732758106, + "L3": 1.518432946125, + "a7": 124.256353404489, + "L1": 1.33792669524924, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.872295890959, - "bs": 8.0, - "a2": 111.354999293017, - "a5": 121.727899729624, + "ss": "H", + "a3": 109.086061257605, + "bs": 60.0, + "a2": 112.182628524919, + "a5": 121.694461787475, "sidechain_LEU": null, - "chainIndex": 68, - "sidechain_HIS": null, + "chainIndex": 27, + "sidechain_HIS": 3, "h_bond_energy": 0.0, - "a4": 110.563537033904 + "a4": 107.141018127111 } }, { - "pk": 66, + "pk": 73, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.820593829149, - "psi": -31.8022210555607, - "oldID": "66", - "bg": 12.16, + "a6": 118.231614077554, + "psi": -41.4896258917272, + "oldID": "26", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 34.9372188981437, + "zeta": 34.406656420663, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 67, + "next": 77, "sidechain_SER": null, - "bm": 10.0, + "bm": 8.0, "xpr": false, - "prev": 65, + "prev": 70, "terminal_flag": false, - "phi": -65.571978859944, + "phi": -55.6852948584779, "chainID": "A", "sidechain_GLN": null, - "ome": -177.554540474145, - "chi2": -59.0612840724843, - "chi3": -37.3494431105336, - "chi1": -65.8885578430057, + "ome": -178.274557329491, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.134128307893, - "L4": 1.4917327420487, - "L5": 1.26732576223616, - "L2": 1.45694383288055, - "L3": 1.53850725601079, - "a7": 121.055159392227, - "L1": 1.35006476995719, + "a1": 120.765152662, + "L4": 1.51289886308946, + "L5": 1.23420833804151, + "L2": 1.4668280618517, + "L3": 1.52196579321069, + "a7": 120.663264031092, + "L1": 1.33836821479683, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 6, + "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.681443809932, - "bs": 12.0, - "a2": 108.640883875548, - "a5": 120.101229412113, + "ss": "H", + "a3": 110.782701136527, + "bs": 10.0, + "a2": 109.746899085308, + "a5": 121.042117085711, "sidechain_LEU": null, - "chainIndex": 69, + "chainIndex": 29, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.664536651215 + "a4": 110.50861335625 } }, { - "pk": 67, + "pk": 74, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "v", "sidechain_PRO": null, - "sidechain_ASN": 5, - "chain": "1MWQA", + "sidechain_ASN": null, + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.841568238472, - "psi": 175.683138853742, - "oldID": "67", - "bg": 12.86, + "a6": 117.381879369484, + "psi": 120.718229483099, + "oldID": "21", + "bg": 41.09, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.210022699722, + "protein": "3CGM", + "zeta": 35.6777270264067, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 9, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 68, + "next": 75, "sidechain_SER": null, - "bm": 9.0, + "bm": 45.0, "xpr": false, - "prev": 66, + "prev": 71, "terminal_flag": false, - "phi": -173.652427864102, + "phi": -80.1324916794063, "chainID": "A", "sidechain_GLN": null, - "ome": -175.67503270011, - "chi2": 58.345995094999, + "ome": -171.482415292742, + "chi2": null, "chi3": null, - "chi1": 51.1719812241243, + "chi1": 171.614177176188, "chi4": null, "chi5": null, - "a1": 125.775648756104, - "L4": 1.5402562590939, - "L5": 1.24158729476128, - "L2": 1.4481359242926, - "L3": 1.53184673683121, - "a7": 122.71981654091, - "L1": 1.32811734700529, + "a1": 123.394339503469, + "L4": 1.52347066472393, + "L5": 1.22871213248161, + "L2": 1.46508809366448, + "L3": 1.57749926516868, + "a7": 122.4016680805, + "L1": 1.32703465110281, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.051425989358, - "bs": 13.0, - "a2": 110.590469239044, - "a5": 121.434132329802, + "ss": "E", + "a3": 110.960275613097, + "bs": 42.0, + "a2": 111.226713797742, + "a5": 120.185449146552, "sidechain_LEU": null, - "chainIndex": 70, + "chainIndex": 21, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.162323688081 + "a4": 107.739632557695 } }, { - "pk": 68, + "pk": 75, "model": "pgd_core.residue", "fields": { "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.357755572457, - "psi": -43.6011180337679, - "oldID": "68", - "bg": 11.01, + "a6": 116.431475002759, + "psi": -31.8302274614005, + "oldID": "22", + "bg": 42.22, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.0900049248006, + "protein": "3CGM", + "zeta": 35.2304147858691, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 69, + "next": 79, "sidechain_SER": null, - "bm": 9.0, + "bm": 42.0, "xpr": false, - "prev": 67, + "prev": 74, "terminal_flag": false, - "phi": -62.0377922650266, + "phi": -106.032167628568, "chainID": "A", "sidechain_GLN": null, - "ome": -179.801883090377, - "chi2": 59.6861849796492, + "ome": -177.372170396873, + "chi2": -159.763561542075, "chi3": null, - "chi1": 178.449574931408, + "chi1": -66.7715275236251, "chi4": null, "chi5": null, - "a1": 121.284614874955, - "L4": 1.50905016451644, - "L5": 1.25026954419769, - "L2": 1.45676713337351, - "L3": 1.52850809116804, - "a7": 121.294405421063, - "L1": 1.31589718704215, + "a1": 121.577045187139, + "L4": 1.52205347964322, + "L5": 1.22175066450499, + "L2": 1.46183952111547, + "L3": 1.54426236424874, + "a7": 122.474449013847, + "L1": 1.32807981744833, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.080433959065, - "bs": 11.0, - "a2": 110.945324538622, - "a5": 120.323732005586, - "sidechain_LEU": 8, - "chainIndex": 71, + "ss": "E", + "a3": 112.349673265862, + "bs": 42.0, + "a2": 109.88115423166, + "a5": 121.088663909018, + "sidechain_LEU": 10, + "chainIndex": 22, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.225152853576 + "a4": 108.982923905028 } }, { - "pk": 69, + "pk": 76, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.35264055469, - "psi": -38.0244528161609, - "oldID": "69", - "bg": 17.72, + "a6": 118.27103195237, + "psi": -39.3192723072684, + "oldID": "28", + "bg": 48.26, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.8059651548414, + "protein": "1MWW", + "zeta": 34.1596733492905, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 70, + "next": 78, "sidechain_SER": null, - "bm": 10.0, + "bm": 37.0, "xpr": false, - "prev": 68, + "prev": 72, "terminal_flag": false, - "phi": -63.6093345745708, + "phi": -56.5226471548329, "chainID": "A", - "sidechain_GLN": 6, - "ome": 177.109080428947, - "chi2": 65.2008699152273, - "chi3": 46.9907897545348, - "chi1": -170.160091325382, + "sidechain_GLN": null, + "ome": -177.244254345478, + "chi2": -154.922356938631, + "chi3": null, + "chi1": -145.602161853546, "chi4": null, "chi5": null, - "a1": 118.959074364599, - "L4": 1.53585500249984, - "L5": 1.25027743772618, - "L2": 1.47030442447186, - "L3": 1.52657700854503, - "a7": 123.38494254336, - "L1": 1.33130030024429, + "a1": 121.856194877711, + "L4": 1.50163664144124, + "L5": 1.21039500366266, + "L2": 1.44107677191225, + "L3": 1.52706060872053, + "a7": 122.218084093477, + "L1": 1.32900421604062, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.646202309466, - "bs": 19.0, - "a2": 110.959970006189, - "a5": 118.253699116437, - "sidechain_LEU": null, - "chainIndex": 72, + "a3": 113.202164742109, + "bs": 47.0, + "a2": 109.998464601327, + "a5": 119.489485356768, + "sidechain_LEU": 9, + "chainIndex": 28, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.511858538533 + "a4": 110.1046725192 } }, { - "pk": 70, + "pk": 77, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.350830245627, - "psi": -39.2928788071378, - "oldID": "70", - "bg": 0.0, + "a6": 117.154799155012, + "psi": -38.6960213950346, + "oldID": "27", + "bg": 9.33, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 31.9361202252128, + "zeta": 34.2422798133724, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 71, + "next": 80, "sidechain_SER": null, - "bm": 9.0, + "bm": 8.0, "xpr": false, - "prev": 69, + "prev": 73, "terminal_flag": false, - "phi": -61.7336873140036, + "phi": -68.0719909475507, "chainID": "A", "sidechain_GLN": null, - "ome": 177.430179965914, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.042947653505, - "L4": 1.53704172413916, - "L5": 1.24474714319854, - "L2": 1.46677254119634, - "L3": 1.52044151125942, - "a7": 122.806272760265, - "L1": 1.3270111067598, - "sidechain_ARG": null, + "ome": 177.556457227916, + "chi2": -153.335420195914, + "chi3": -52.0754875082029, + "chi1": -56.102810575536, + "chi4": 149.933040097437, + "chi5": 5.40409535063089, + "a1": 119.97335426336, + "L4": 1.52399593069537, + "L5": 1.25858579471318, + "L2": 1.45439864399061, + "L3": 1.51538786745016, + "a7": 122.756731295162, + "L1": 1.35268993974389, + "sidechain_ARG": 6, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.238250252215, - "bs": 10.0, - "a2": 112.255131369567, - "a5": 119.824128917181, + "a3": 112.287747696754, + "bs": 8.0, + "a2": 112.104151459335, + "a5": 120.034829206634, "sidechain_LEU": null, - "chainIndex": 73, + "chainIndex": 30, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.524668792943 + "a4": 107.81030248024 } }, { - "pk": 71, + "pk": 78, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.703603529153, - "psi": -47.0219665526009, - "oldID": "71", + "a6": 117.453465571194, + "psi": -22.4163249160979, + "oldID": "29", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.3686696924498, + "protein": "1MWW", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 72, + "next": 81, "sidechain_SER": null, - "bm": 7.0, + "bm": 35.0, "xpr": false, - "prev": 70, + "prev": 76, "terminal_flag": false, - "phi": -63.1225273719736, + "phi": -98.1103584624981, "chainID": "A", "sidechain_GLN": null, - "ome": -179.938294045244, + "ome": -177.293185842279, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.265989523593, - "L4": 1.5134485001817, - "L5": 1.24888518468934, - "L2": 1.50083205547538, - "L3": 1.49334249490214, - "a7": 120.475464734804, - "L1": 1.32632678925399, + "a1": 119.098960877086, + "L4": 1.51120405501761, + "L5": 1.22575970006073, + "L2": 1.45579338832073, + "L3": null, + "a7": 122.635146968018, + "L1": 1.33030266899373, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.404126809639, - "bs": 7.0, - "a2": 109.83906778813, - "a5": 121.733808338116, + "a3": 120.709444474026, + "bs": 0.0, + "a2": null, + "a5": 119.891440275549, "sidechain_LEU": null, - "chainIndex": 74, + "chainIndex": 29, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.760923444077 + "a4": null } }, { - "pk": 72, + "pk": 79, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", - "sidechain_ASP": null, - "a6": 119.143717240545, - "psi": -42.2681489276267, - "oldID": "72", - "bg": 11.03, + "chain": "3CGMA", + "sidechain_ASP": 3, + "a6": 115.762085215194, + "psi": 154.695240334496, + "oldID": "23", + "bg": 45.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.1656390916458, + "protein": "3CGM", + "zeta": 35.2021036109313, "sidechain_PHE": null, - "sidechain_LYS": 3, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 73, + "next": 83, "sidechain_SER": null, - "bm": 8.0, + "bm": 41.0, "xpr": false, - "prev": 71, + "prev": 75, "terminal_flag": false, - "phi": -62.791941972716, + "phi": -154.011888710633, "chainID": "A", "sidechain_GLN": null, - "ome": 178.603362624924, - "chi2": 176.729857296985, - "chi3": 170.93740835692, - "chi1": -70.9008914692744, - "chi4": 171.464425472968, + "ome": 167.983437909627, + "chi2": 28.9730023211873, + "chi3": null, + "chi1": -165.570029192564, + "chi4": null, "chi5": null, - "a1": 121.778388092807, - "L4": 1.53187052191093, - "L5": 1.26399961598669, - "L2": 1.44342211029654, - "L3": 1.53993288960091, - "a7": 122.403177092749, - "L1": 1.3447136305008, + "a1": 121.257029836291, + "L4": 1.51700181302534, + "L5": 1.24005075846943, + "L2": 1.4405927852052, + "L3": 1.53612351807182, + "a7": 122.49621214029, + "L1": 1.32879703823321, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.176751800696, - "bs": 14.0, - "a2": 110.751060248136, - "a5": 118.450819304669, + "ss": "E", + "a3": 108.105187958242, + "bs": 44.0, + "a2": 109.968848876268, + "a5": 121.734777486306, "sidechain_LEU": null, - "chainIndex": 75, + "chainIndex": 23, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.831846154177 + "a4": 110.205774967379 } }, { - "pk": 73, + "pk": 80, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", - "sidechain_ASP": 4, - "a6": 116.882495298245, - "psi": -45.0749191809205, - "oldID": "73", - "bg": 13.84, + "sidechain_ASP": null, + "a6": 117.088135546246, + "psi": -36.2822370221736, + "oldID": "28", + "bg": 8.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 34.069539894127, + "zeta": 33.3728601394121, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 74, + "next": 84, "sidechain_SER": null, - "bm": 9.0, + "bm": 7.0, "xpr": false, - "prev": 72, + "prev": 77, "terminal_flag": false, - "phi": -60.9487233159088, + "phi": -66.7029229056402, "chainID": "A", "sidechain_GLN": null, - "ome": 179.701120491283, - "chi2": -16.8586641121153, + "ome": 175.157919842655, + "chi2": 162.687539833344, "chi3": null, - "chi1": -67.2242452487575, + "chi1": -68.8493959867808, "chi4": null, "chi5": null, - "a1": 122.658852289602, - "L4": 1.52478407280336, - "L5": 1.24437373118033, - "L2": 1.45425256257203, - "L3": 1.51622922161364, - "a7": 121.923268949117, - "L1": 1.30910723938368, + "a1": 120.260299833594, + "L4": 1.52166722999658, + "L5": 1.23051184791857, + "L2": 1.4481278829993, + "L3": 1.52914757158301, + "a7": 122.598477431342, + "L1": 1.32224120801755, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.947519484101, - "bs": 14.0, - "a2": 110.706796409455, - "a5": 121.189975864586, - "sidechain_LEU": null, - "chainIndex": 76, + "a3": 110.650862369306, + "bs": 8.0, + "a2": 108.603521266305, + "a5": 120.283910163249, + "sidechain_LEU": 11, + "chainIndex": 31, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.224192120826 + "a4": 113.305332763445 } }, { - "pk": 74, + "pk": 81, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.85155790359, - "psi": -44.4093596868085, - "oldID": "74", - "bg": 8.67, + "a6": 116.738418496345, + "psi": -12.7914340431519, + "oldID": "30", + "bg": 49.46, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.3220621630686, + "protein": "1MWW", + "zeta": 34.5005395683296, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 1, - "next": 75, + "sidechain_TRP": null, + "next": 82, "sidechain_SER": null, - "bm": 8.0, + "bm": 47.0, "xpr": false, - "prev": 73, + "prev": 78, "terminal_flag": false, - "phi": -61.5112833037952, + "phi": -124.997801853104, "chainID": "A", "sidechain_GLN": null, - "ome": 178.821784735452, - "chi2": 94.418251500886, + "ome": 179.501784442072, + "chi2": 58.7693251413289, "chi3": null, - "chi1": -175.654927342479, + "chi1": -123.85998737874, "chi4": null, "chi5": null, - "a1": 120.255591500043, - "L4": 1.53532821793713, - "L5": 1.23629270622783, - "L2": 1.44956829668093, - "L3": 1.53115432378574, - "a7": 122.714976834992, - "L1": 1.32421376937229, + "a1": 120.935609978364, + "L4": 1.5393092596845, + "L5": 1.22991879704313, + "L2": 1.45412098545792, + "L3": 1.55249036632286, + "a7": 123.114694625226, + "L1": 1.32915245641641, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.318352322814, - "bs": 9.0, - "a2": 110.125581258528, - "a5": 120.427399980362, - "sidechain_LEU": null, - "chainIndex": 77, + "a3": 112.325221753783, + "bs": 45.0, + "a2": 109.097028805542, + "a5": 120.139864254454, + "sidechain_LEU": 12, + "chainIndex": 30, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.917524720459 + "a4": 110.838477902005 } }, { - "pk": 75, + "pk": 82, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", - "sidechain_ASP": null, - "a6": 117.112524046437, - "psi": -42.8402551139946, - "oldID": "75", - "bg": 0.0, + "chain": "1MWWA", + "sidechain_ASP": 4, + "a6": 117.354569823387, + "psi": 26.6415611818269, + "oldID": "31", + "bg": 72.73, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.0368950818371, + "protein": "1MWW", + "zeta": 34.7393564763653, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 76, + "next": 86, "sidechain_SER": null, - "bm": 8.0, + "bm": 61.0, "xpr": false, - "prev": 74, + "prev": 81, "terminal_flag": false, - "phi": -59.2953485610187, + "phi": 85.3922251436068, "chainID": "A", "sidechain_GLN": null, - "ome": -176.854043209626, - "chi2": null, + "ome": 179.491646638812, + "chi2": -35.7006894876597, "chi3": null, - "chi1": null, + "chi1": -67.2540959640678, "chi4": null, "chi5": null, - "a1": 119.96622638854, - "L4": 1.51080415601448, - "L5": 1.24192224909115, - "L2": 1.47269718916434, - "L3": 1.50789663960363, - "a7": 121.003513314663, - "L1": 1.31338681030486, + "a1": 121.983142867643, + "L4": 1.51229702280616, + "L5": 1.22444747716249, + "L2": 1.45190146765145, + "L3": 1.52470925458658, + "a7": 122.582660931326, + "L1": 1.33575036707537, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.21109380414, - "bs": 9.0, - "a2": 110.384277451939, - "a5": 121.869835211965, + "ss": "-", + "a3": 112.725202278073, + "bs": 73.0, + "a2": 110.646817204935, + "a5": 120.062768695765, "sidechain_LEU": null, - "chainIndex": 78, + "chainIndex": 31, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.479897814813 + "a4": 108.663833801628 } }, { - "pk": 76, + "pk": 83, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.124593274139, - "psi": -24.1764113840524, - "oldID": "76", - "bg": 0.0, + "a6": 116.977073686872, + "psi": 146.807416316968, + "oldID": "24", + "bg": 52.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.0781337077583, + "protein": "3CGM", + "zeta": 32.6975257303848, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 77, + "next": 85, "sidechain_SER": null, - "bm": 10.0, + "bm": 44.0, "xpr": false, - "prev": 75, + "prev": 79, "terminal_flag": false, - "phi": -64.8617990517798, + "phi": -159.798173374145, "chainID": "A", - "sidechain_GLN": null, - "ome": -178.216275499849, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 5, + "ome": 178.807020767922, + "chi2": -158.890991451342, + "chi3": -28.2130815347329, + "chi1": 81.7682976232234, "chi4": null, "chi5": null, - "a1": 123.94878832256, - "L4": 1.52746977255198, - "L5": 1.23529143725049, - "L2": 1.45542479296346, - "L3": 1.53098177966909, - "a7": 123.019153339265, - "L1": 1.32644195618315, + "a1": 119.426458321206, + "L4": 1.50792119005291, + "L5": 1.21967516833233, + "L2": 1.4347902129022, + "L3": 1.52091109333842, + "a7": 122.74993886179, + "L1": 1.31893040458016, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.314144733654, - "bs": 13.0, - "a2": 110.307391378908, - "a5": 119.848649593275, + "ss": "E", + "a3": 109.616442253378, + "bs": 54.0, + "a2": 110.930406627493, + "a5": 120.225279126509, "sidechain_LEU": null, - "chainIndex": 79, + "chainIndex": 24, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.018941004798 + "a4": 112.362026226819 } }, { - "pk": 77, + "pk": 84, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 119.598549280047, - "psi": 0.81387702267748, - "oldID": "77", - "bg": 16.69, + "a6": 118.664010808644, + "psi": -38.238247689243, + "oldID": "29", + "bg": 8.95, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 33.7673374944138, + "zeta": 34.2300764360302, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 7, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 78, + "next": 87, "sidechain_SER": null, - "bm": 9.0, + "bm": 7.0, "xpr": false, - "prev": 76, + "prev": 80, "terminal_flag": false, - "phi": -90.6582960574552, + "phi": -60.1546033361437, "chainID": "A", - "sidechain_GLN": 7, - "ome": -178.845866964301, - "chi2": 156.302699890651, - "chi3": -168.906507629448, - "chi1": -64.9177965311806, - "chi4": null, + "sidechain_GLN": null, + "ome": 176.971814363803, + "chi2": 171.287105943982, + "chi3": 59.0230326417715, + "chi1": -74.850389625564, + "chi4": 175.380755387682, "chi5": null, - "a1": 124.945878276236, - "L4": 1.53102965845845, - "L5": 1.23486300177338, - "L2": 1.44954538557622, - "L3": 1.52981188048469, - "a7": 120.659160729243, - "L1": 1.3232457687394, + "a1": 119.972887784262, + "L4": 1.51196119816513, + "L5": 1.24374799865888, + "L2": 1.46129282183669, + "L3": 1.53358230941101, + "a7": 120.993594337562, + "L1": 1.34823552422204, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.808986981965, - "bs": 20.0, - "a2": 110.254052042548, - "a5": 119.740621046639, + "ss": "H", + "a3": 110.482738782801, + "bs": 11.0, + "a2": 109.028501309922, + "a5": 120.31153384271, "sidechain_LEU": null, - "chainIndex": 80, + "chainIndex": 32, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.336742539115 + "a4": 111.747457766316 } }, { - "pk": 78, + "pk": 85, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", - "sidechain_ASP": 5, - "a6": 119.349802926049, - "psi": 137.906951239203, - "oldID": "78", - "bg": 6.96, + "chain": "3CGMA", + "sidechain_ASP": null, + "a6": 115.513680349741, + "psi": -145.326229613528, + "oldID": "25", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.1591533071117, + "protein": "3CGM", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 79, + "next": 88, "sidechain_SER": null, - "bm": 7.0, + "bm": 38.0, "xpr": false, - "prev": 77, + "prev": 83, "terminal_flag": false, - "phi": -59.773965051801, + "phi": 166.536498446753, "chainID": "A", "sidechain_GLN": null, - "ome": 172.895182790662, - "chi2": -76.3184513018331, + "ome": -173.885169304874, + "chi2": null, "chi3": null, - "chi1": -157.022289562431, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.025629532792, - "L4": 1.52931367534449, - "L5": 1.25661859876663, - "L2": 1.45847094944857, - "L3": 1.53099872443157, - "a7": 121.907974188497, - "L1": 1.33415337969772, + "a1": 120.568134598213, + "L4": 1.49940896782472, + "L5": 1.22353680469388, + "L2": 1.44376341811802, + "L3": null, + "a7": 123.300515824212, + "L1": 1.32730362397819, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.466235583577, - "bs": 7.0, - "a2": 110.556354069816, - "a5": 118.692776936365, + "ss": "E", + "a3": 113.145299117188, + "bs": 0.0, + "a2": null, + "a5": 121.185777570081, "sidechain_LEU": null, - "chainIndex": 81, + "chainIndex": 25, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.036382471379 + "a4": null } }, { - "pk": 79, + "pk": 86, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 5, + "aa": "i", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.224067399383, - "psi": -31.4752535504981, - "oldID": "79", - "bg": 10.25, + "a6": 117.183526734058, + "psi": 120.548168154671, + "oldID": "32", + "bg": 39.02, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 35.7858664391402, + "sidechain_ILE": 6, + "protein": "1MWW", + "zeta": 33.897498059832, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 80, + "next": 89, "sidechain_SER": null, - "bm": 7.0, + "bm": 46.0, "xpr": false, - "prev": 78, + "prev": 82, "terminal_flag": false, - "phi": -51.8835506998387, + "phi": -101.148534806992, "chainID": "A", "sidechain_GLN": null, - "ome": 177.240784330112, - "chi2": 36.9381295632546, - "chi3": -29.3294957256197, - "chi1": -29.1316582774048, - "chi4": 11.7221107503142, + "ome": -179.456523523917, + "chi2": -44.5918832508755, + "chi3": null, + "chi1": -40.5623884186461, + "chi4": null, "chi5": null, - "a1": 121.720481058998, - "L4": 1.53194153271129, - "L5": 1.23881702873428, - "L2": 1.47791479500564, - "L3": 1.50864322903639, - "a7": 122.180030089686, - "L1": 1.30431640032202, + "a1": 119.9359855639, + "L4": 1.53477638341106, + "L5": 1.23083177184694, + "L2": 1.4429921180642, + "L3": 1.58353426958808, + "a7": 122.448254955771, + "L1": 1.32741942643656, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -14.310300517212, - "ss": "H", - "a3": 112.204990824683, - "bs": 9.0, - "a2": 102.822026657792, - "a5": 119.541452441997, + "omep": null, + "ss": "-", + "a3": 104.849395230339, + "bs": 39.0, + "a2": 112.023025705422, + "a5": 120.36721830585, "sidechain_LEU": null, - "chainIndex": 82, + "chainIndex": 32, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.575271538352 + "a4": 111.537447371349 } }, { - "pk": 80, + "pk": 87, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.254491597443, - "psi": -17.401635211118, - "oldID": "80", - "bg": 7.11, + "a6": 118.042101210722, + "psi": -45.8131394877403, + "oldID": "30", + "bg": 10.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 31.5124483643051, + "zeta": 32.244892311785, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 81, + "next": 90, "sidechain_SER": null, "bm": 7.0, "xpr": false, - "prev": 79, + "prev": 84, "terminal_flag": false, - "phi": -64.2138376001611, + "phi": -64.0543137584677, "chainID": "A", - "sidechain_GLN": null, - "ome": 172.228838919264, - "chi2": -24.863704201815, - "chi3": null, - "chi1": -73.8085269737837, + "sidechain_GLN": 6, + "ome": 176.417478941801, + "chi2": -174.455484082893, + "chi3": -36.7912825125476, + "chi1": -173.448986401943, "chi4": null, "chi5": null, - "a1": 121.495258983679, - "L4": 1.52731694543735, - "L5": 1.23256712030777, - "L2": 1.45298166529456, - "L3": 1.51008637415336, - "a7": 122.667133906261, - "L1": 1.33447597662287, + "a1": 119.785261282765, + "L4": 1.53442782250741, + "L5": 1.23853508822232, + "L2": 1.45879471614288, + "L3": 1.49969786181344, + "a7": 122.600742386434, + "L1": 1.33471751175722, "sidechain_ARG": null, - "sidechain_TYR": 3, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 114.459731075668, - "bs": 8.0, - "a2": 110.273355047671, - "a5": 119.055204146533, + "a3": 111.180029385166, + "bs": 11.0, + "a2": 111.003394265957, + "a5": 119.3143563349, "sidechain_LEU": null, - "chainIndex": 83, + "chainIndex": 33, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.45023702476 + "a4": 111.841972982585 } }, { - "pk": 81, + "pk": 88, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.558193051636, - "psi": -60.1871884504967, - "oldID": "81", - "bg": 11.02, + "a6": 117.879405097964, + "psi": 138.087080324029, + "oldID": "26", + "bg": 40.77, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 31.7407600693348, + "protein": "3CGM", + "zeta": 35.4997210952986, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 4, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 82, + "next": 92, "sidechain_SER": null, - "bm": 8.0, + "bm": 39.0, "xpr": false, - "prev": 80, + "prev": 85, "terminal_flag": false, - "phi": -72.3320058349303, + "phi": -141.294090935718, "chainID": "A", "sidechain_GLN": null, - "ome": -179.380223988725, - "chi2": null, - "chi3": null, - "chi1": 176.367966523282, + "ome": 172.364337364724, + "chi2": -177.724739029717, + "chi3": -83.9181214887615, + "chi1": -179.746652043826, "chi4": null, "chi5": null, - "a1": 121.309944282428, - "L4": 1.52568370837025, - "L5": 1.23507036032956, - "L2": 1.47890399753089, - "L3": 1.52663460859672, - "a7": 120.835522311598, - "L1": 1.31852528048525, + "a1": 121.373233367613, + "L4": 1.50660700540605, + "L5": 1.21061038836019, + "L2": 1.43634399226575, + "L3": 1.51558440991545, + "a7": 121.97260573616, + "L1": 1.32067503796763, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 7, "omep": null, - "ss": "H", - "a3": 110.387341033726, - "bs": 10.0, - "a2": 111.055576999364, - "a5": 121.546501799599, + "ss": "E", + "a3": 109.8680483344, + "bs": 42.0, + "a2": 110.050556909358, + "a5": 120.146755107209, "sidechain_LEU": null, - "chainIndex": 84, + "chainIndex": 26, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.002895749171 + "a4": 109.036239651592 } }, { - "pk": 82, + "pk": 89, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 3, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.92850819576, - "psi": -32.4648857427245, - "oldID": "82", - "bg": 11.66, + "a6": 116.610044984436, + "psi": 138.254232266776, + "oldID": "33", + "bg": 31.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.2667768302419, + "protein": "1MWW", + "zeta": 37.5325323741808, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 83, + "next": 91, "sidechain_SER": null, - "bm": 9.0, + "bm": 42.0, "xpr": false, - "prev": 81, + "prev": 86, "terminal_flag": false, - "phi": -58.9773213984909, + "phi": -53.0525914571434, "chainID": "A", "sidechain_GLN": null, - "ome": -176.596647967849, - "chi2": 179.363811192374, - "chi3": 20.2343881858518, - "chi1": -178.108084579484, - "chi4": null, + "ome": 178.760753261744, + "chi2": 43.0057757314873, + "chi3": -39.252575573959, + "chi1": -30.4843434176897, + "chi4": 20.2244538033196, "chi5": null, - "a1": 121.689937496551, - "L4": 1.51167351995239, - "L5": 1.25545900878001, - "L2": 1.45551886292106, - "L3": 1.51824610100393, - "a7": 122.86156278847, - "L1": 1.34007982101254, + "a1": 129.098415284079, + "L4": 1.51524304803893, + "L5": 1.22517399224772, + "L2": 1.46019272520694, + "L3": 1.55362867607153, + "a7": 122.5646175756, + "L1": 1.35287659891405, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 7, - "omep": null, - "ss": "H", - "a3": 112.640461829945, - "bs": 11.0, - "a2": 111.540686157474, - "a5": 120.209107202565, + "sidechain_GLU": null, + "omep": -1.42637789031519, + "ss": "-", + "a3": 117.358699029893, + "bs": 38.0, + "a2": 103.128670755505, + "a5": 120.753566134191, "sidechain_LEU": null, - "chainIndex": 85, + "chainIndex": 33, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.061063267071 + "a4": 111.361755471211 } }, { - "pk": 83, + "pk": 90, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.791312049968, - "psi": -8.262245257156, - "oldID": "83", - "bg": 0.0, + "a6": 117.894118509882, + "psi": -39.7351827887227, + "oldID": "31", + "bg": 9.51, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 35.5434713996798, + "zeta": 32.8757293906169, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 84, + "next": 94, "sidechain_SER": null, - "bm": 9.0, + "bm": 8.0, "xpr": false, - "prev": 82, + "prev": 87, "terminal_flag": false, - "phi": -78.4215708058421, + "phi": -58.4717463336089, "chainID": "A", "sidechain_GLN": null, - "ome": -177.522181906614, - "chi2": null, + "ome": 175.987124066091, + "chi2": 176.973693895671, "chi3": null, - "chi1": null, + "chi1": -70.6195806876488, "chi4": null, "chi5": null, - "a1": 121.450227527286, - "L4": 1.50235785760645, - "L5": 1.23760972708924, - "L2": 1.45002813880678, - "L3": 1.50195590974518, - "a7": 121.972645270007, - "L1": 1.32239223436169, + "a1": 119.517721038848, + "L4": 1.50185423746482, + "L5": 1.26575729986826, + "L2": 1.45750224409329, + "L3": 1.52414648972498, + "a7": 120.308025323782, + "L1": 1.32898396527115, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.55845124232, - "bs": 11.0, - "a2": 110.19908074273, - "a5": 119.191373805401, - "sidechain_LEU": null, - "chainIndex": 86, + "ss": "H", + "a3": 112.115747470412, + "bs": 10.0, + "a2": 113.138253496121, + "a5": 121.777271003703, + "sidechain_LEU": 13, + "chainIndex": 34, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.268288737962 + "a4": 108.909642712766 } }, { - "pk": 84, + "pk": 91, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.821626545072, - "psi": 25.4448602206139, - "oldID": "84", - "bg": 0.0, + "a6": 117.684341409068, + "psi": 92.778658121698, + "oldID": "34", + "bg": 59.57, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": null, + "protein": "1MWW", + "zeta": 34.4122072117436, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 8, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 85, + "next": 93, "sidechain_SER": null, - "bm": 9.0, + "bm": 49.0, "xpr": false, - "prev": 83, + "prev": 89, "terminal_flag": false, - "phi": 80.8304760165404, + "phi": -47.9844746612255, "chainID": "A", "sidechain_GLN": null, - "ome": 175.297341260732, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 177.386014691657, + "chi2": 74.4465611682863, + "chi3": 141.195037660352, + "chi1": -76.5289671523924, + "chi4": 58.7216343696902, "chi5": null, - "a1": 117.946372726199, - "L4": 1.49274456098465, - "L5": 1.23117793056229, - "L2": 1.45027286744758, - "L3": null, - "a7": 121.655255136716, - "L1": 1.34384525259078, + "a1": 119.330399070084, + "L4": 1.53194254548089, + "L5": 1.2338268058368, + "L2": 1.45772004875794, + "L3": 1.53468148043222, + "a7": 123.252343757609, + "L1": 1.33057580949236, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 115.659955651982, - "bs": 0.0, - "a2": null, - "a5": 120.517307986781, + "a3": 111.576293694655, + "bs": 59.0, + "a2": 112.174323952302, + "a5": 119.056452037563, "sidechain_LEU": null, - "chainIndex": 87, + "chainIndex": 34, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 107.881186620908 } }, { - "pk": 85, + "pk": 92, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.837942110493, - "psi": -48.6840783503894, - "oldID": "85", - "bg": 9.64, + "a6": 115.32642266277, + "psi": 157.408130022506, + "oldID": "27", + "bg": 36.75, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 31.4108212181435, + "protein": "3CGM", + "zeta": 34.3594658255881, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 5, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 86, + "next": 97, "sidechain_SER": null, - "bm": 8.0, + "bm": 35.0, "xpr": false, - "prev": 84, + "prev": 88, "terminal_flag": false, - "phi": -93.4340719137209, + "phi": -149.484877696586, "chainID": "A", "sidechain_GLN": null, - "ome": -178.918254905259, - "chi2": null, + "ome": 169.357675695577, + "chi2": 79.7211027918634, "chi3": null, - "chi1": 171.347219531854, + "chi1": 59.302992411461, "chi4": null, "chi5": null, - "a1": 122.987355429095, - "L4": 1.51828284658041, - "L5": 1.22630734706041, - "L2": 1.4610535424962, - "L3": 1.53142433266159, - "a7": 121.573899100219, - "L1": 1.33759911658925, + "a1": 118.970261513511, + "L4": 1.52394013461999, + "L5": 1.23061150658401, + "L2": 1.43907332658169, + "L3": 1.52324912226835, + "a7": 123.01233114113, + "L1": 1.32398333801979, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.114434023712, - "bs": 9.0, - "a2": 111.102496088657, - "a5": 120.561303019124, - "sidechain_LEU": null, - "chainIndex": 88, + "ss": "E", + "a3": 113.257154247238, + "bs": 36.0, + "a2": 110.34114900222, + "a5": 121.661058828289, + "sidechain_LEU": 14, + "chainIndex": 27, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.3173474844 + "a4": 109.322633948662 } }, { - "pk": 86, + "pk": 93, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.359628446115, - "psi": 129.634580672612, - "oldID": "86", - "bg": 8.99, + "a6": 118.170941498595, + "psi": 5.40810721658456, + "oldID": "35", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 36.3513401260211, + "protein": "1MWW", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 87, + "next": 95, "sidechain_SER": null, - "bm": 9.0, + "bm": 43.0, "xpr": false, - "prev": 85, + "prev": 91, "terminal_flag": false, - "phi": -86.3573759874338, + "phi": 118.509198765538, "chainID": "A", "sidechain_GLN": null, - "ome": 172.5678573709, - "chi2": -13.0907686234918, + "ome": 178.98813801407, + "chi2": null, "chi3": null, - "chi1": -73.4731934621207, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.40606122062, - "L4": 1.52339540544957, - "L5": 1.23771423760263, - "L2": 1.45125203644868, - "L3": 1.54329187105083, - "a7": 122.67675715162, - "L1": 1.333738119865, - "sidechain_ARG": null, - "sidechain_TYR": 4, + "a1": 121.494323918613, + "L4": 1.52511318283819, + "L5": 1.21892552977872, + "L2": 1.46542658368041, + "L3": null, + "a7": 121.407791051588, + "L1": 1.3460087547757, + "sidechain_ARG": null, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.522312900085, - "bs": 10.0, - "a2": 110.05059516947, - "a5": 121.96281818031, + "ss": "T", + "a3": 121.091045053772, + "bs": 0.0, + "a2": null, + "a5": 120.409656629747, "sidechain_LEU": null, - "chainIndex": 89, + "chainIndex": 35, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.50023209152 + "a4": null } }, { - "pk": 87, + "pk": 94, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.52206762877, - "psi": -42.9673897734622, - "oldID": "87", - "bg": 0.0, + "a6": 117.392305094172, + "psi": -41.5729843245384, + "oldID": "32", + "bg": 11.58, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 35.0664200166931, + "zeta": 32.9682604448883, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 88, + "next": 99, "sidechain_SER": null, - "bm": 10.0, + "bm": 8.0, "xpr": false, - "prev": 86, + "prev": 90, "terminal_flag": false, - "phi": -79.5390735707471, + "phi": -62.852526267357, "chainID": "A", - "sidechain_GLN": null, - "ome": -172.983688637501, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 7, + "ome": 177.577306394174, + "chi2": 167.953997438868, + "chi3": -115.175716293179, + "chi1": -178.232359849069, "chi4": null, "chi5": null, - "a1": 122.7442196877, - "L4": 1.52689819406864, - "L5": 1.20589544908354, - "L2": 1.45143759820346, - "L3": 1.5149608173179, - "a7": 121.582028299914, - "L1": 1.32724101418605, + "a1": 121.763949229809, + "L4": 1.52382913940807, + "L5": 1.24164293310494, + "L2": 1.45334004097859, + "L3": 1.52042839844234, + "a7": 122.140626925966, + "L1": 1.33044706199886, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.317042902486, - "bs": 11.0, - "a2": 110.702497078218, - "a5": 121.719282240692, + "ss": "H", + "a3": 111.078651653051, + "bs": 12.0, + "a2": 111.733750375393, + "a5": 120.451617665834, "sidechain_LEU": null, - "chainIndex": 90, + "chainIndex": 35, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.367979292514 + "a4": 110.449435249582 } }, { - "pk": 88, + "pk": 95, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", - "sidechain_ASP": 6, - "a6": 113.94502543771, - "psi": 158.584182330006, - "oldID": "88", - "bg": 15.77, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 114.423832169113, + "psi": -13.0038693211789, + "oldID": "36", + "bg": 40.37, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 23.8739189227113, + "protein": "1MWW", + "zeta": 36.0218014640329, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 9, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 89, + "next": 96, "sidechain_SER": null, - "bm": 11.0, + "bm": 35.0, "xpr": false, - "prev": 87, + "prev": 93, "terminal_flag": false, - "phi": -162.239151474543, + "phi": -81.3723296172773, "chainID": "A", "sidechain_GLN": null, - "ome": 177.776455933749, - "chi2": 81.4053191905979, - "chi3": null, - "chi1": 49.5405663179125, - "chi4": null, + "ome": -178.086141472439, + "chi2": 145.772277062557, + "chi3": -88.8159591875505, + "chi1": 160.043425826251, + "chi4": 136.967160504271, "chi5": null, - "a1": 123.090981583529, - "L4": 1.54292270120674, - "L5": 1.22503876503858, - "L2": 1.44069018681477, - "L3": 1.5032289291277, - "a7": 125.333752383534, - "L1": 1.33535127588079, + "a1": 122.614399578856, + "L4": 1.54480353155821, + "L5": 1.25008082175694, + "L2": 1.44371474836935, + "L3": 1.51695720869326, + "a7": 123.504717747899, + "L1": 1.31284347410412, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.037572048066, - "bs": 22.0, - "a2": 126.747418050075, - "a5": 120.66480952952, + "ss": "S", + "a3": 108.929347938009, + "bs": 37.0, + "a2": 107.676520295431, + "a5": 122.015742801965, "sidechain_LEU": null, - "chainIndex": 91, + "chainIndex": 36, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.995621924085 + "a4": 110.611874223094 } }, { - "pk": 89, + "pk": 96, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.998399157213, - "psi": 133.123668781565, - "oldID": "89", - "bg": 16.46, + "a6": 115.868848618254, + "psi": 137.386976965226, + "oldID": "37", + "bg": 36.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 30.0796223158356, + "protein": "1MWW", + "zeta": 35.8601770396505, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 6, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 90, + "next": 98, "sidechain_SER": null, - "bm": 12.0, + "bm": 32.0, "xpr": false, - "prev": 88, + "prev": 95, "terminal_flag": false, - "phi": -134.485664961136, + "phi": -110.673268285669, "chainID": "A", "sidechain_GLN": null, - "ome": 173.916595514067, + "ome": 175.753869126118, "chi2": null, "chi3": null, - "chi1": -49.0637440118643, + "chi1": -116.2960075539, "chi4": null, "chi5": null, - "a1": 120.621745283754, - "L4": 1.47988003428376, - "L5": 1.23941144819775, - "L2": 1.47356803554833, - "L3": 1.53818945906135, - "a7": 121.100204317827, - "L1": 1.30243309473998, + "a1": 122.237561965645, + "L4": 1.48179587750636, + "L5": 1.23458437288436, + "L2": 1.44807302895981, + "L3": 1.51918927532019, + "a7": 123.116247675773, + "L1": 1.33073547555188, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.856506985072, - "bs": 18.0, - "a2": 112.775230149585, - "a5": 120.827616167384, + "ss": "S", + "a3": 117.230039708821, + "bs": 38.0, + "a2": 110.032861403734, + "a5": 121.014038693723, "sidechain_LEU": null, - "chainIndex": 92, - "sidechain_HIS": null, + "chainIndex": 37, + "sidechain_HIS": 4, "h_bond_energy": 0.0, - "a4": 114.58406424371 + "a4": 106.507088830454 } }, { - "pk": 90, + "pk": 97, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.079707642293, - "psi": 124.465920201401, - "oldID": "90", - "bg": 12.9, + "a6": 117.125160243127, + "psi": 140.050133093591, + "oldID": "28", + "bg": 29.98, "sidechain_CYS": null, - "sidechain_ILE": 5, - "protein": "1MWQ", - "zeta": 34.4639495567359, + "sidechain_ILE": null, + "protein": "3CGM", + "zeta": 35.2312093702239, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 91, - "sidechain_SER": null, - "bm": 9.0, + "next": 101, + "sidechain_SER": 3, + "bm": 30.0, "xpr": false, - "prev": 89, + "prev": 92, "terminal_flag": false, - "phi": -104.711475495889, + "phi": -113.253986633045, "chainID": "A", "sidechain_GLN": null, - "ome": -178.583557580252, - "chi2": 137.530321720993, + "ome": -178.969664174691, + "chi2": null, "chi3": null, - "chi1": -61.5266630437882, + "chi1": -56.197840397334, "chi4": null, "chi5": null, - "a1": 125.048062433484, - "L4": 1.52430002499937, - "L5": 1.23580833250281, - "L2": 1.45434787737262, - "L3": 1.53097021555978, - "a7": 122.23857624491, - "L1": 1.31066156895366, + "a1": 121.566693404377, + "L4": 1.51154059181337, + "L5": 1.20995588996015, + "L2": 1.44009711088616, + "L3": 1.52187975282542, + "a7": 122.926972312009, + "L1": 1.32190976328643, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 106.972163468486, - "bs": 13.0, - "a2": 112.697596728672, - "a5": 120.680952168879, + "a3": 109.464844567743, + "bs": 29.0, + "a2": 109.644972225427, + "a5": 119.921724110798, "sidechain_LEU": null, - "chainIndex": 93, + "chainIndex": 28, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.637189346016 + "a4": 109.977347082424 } }, { - "pk": 91, + "pk": 98, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.49077827029, - "psi": 125.722104795035, - "oldID": "91", - "bg": 9.91, + "a6": 118.441678863515, + "psi": 136.9847243593, + "oldID": "38", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.7452364611957, + "protein": "1MWW", + "zeta": 35.3398527563363, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 7, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 92, + "next": 100, "sidechain_SER": null, - "bm": 7.0, + "bm": 18.0, "xpr": false, - "prev": 90, + "prev": 96, "terminal_flag": false, - "phi": -122.137179976382, + "phi": -75.7911801296508, "chainID": "A", "sidechain_GLN": null, - "ome": 179.789909525103, + "ome": 177.179540034417, "chi2": null, "chi3": null, - "chi1": -178.72834091083, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.306924327288, - "L4": 1.51946875352863, - "L5": 1.22726601774996, - "L2": 1.46846271748662, - "L3": 1.51726514984312, - "a7": 123.499423200624, - "L1": 1.33274621616339, + "a1": 119.798287304493, + "L4": 1.56196274492239, + "L5": 1.2515261941597, + "L2": 1.44997926885119, + "L3": 1.53227890848407, + "a7": 121.504441790024, + "L1": 1.32321875406183, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.527784304136, - "bs": 9.0, - "a2": 109.555777644838, - "a5": 120.009493891757, + "ss": "-", + "a3": 108.613790497125, + "bs": 15.0, + "a2": 109.381472361411, + "a5": 120.053778940356, "sidechain_LEU": null, - "chainIndex": 94, + "chainIndex": 38, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.99832046075 + "a4": 110.062389438502 } }, { - "pk": 92, + "pk": 99, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.005873889498, - "psi": 146.623190202112, - "oldID": "92", - "bg": 8.81, + "a6": 117.63665206112, + "psi": -31.5841808836298, + "oldID": "33", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 34.578164148263, + "zeta": 33.4545182273444, "sidechain_PHE": null, - "sidechain_LYS": 4, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 93, + "next": 103, "sidechain_SER": null, - "bm": 7.0, + "bm": 8.0, "xpr": false, - "prev": 91, + "prev": 94, "terminal_flag": false, - "phi": -133.38115931383, + "phi": -61.4864840924972, "chainID": "A", "sidechain_GLN": null, - "ome": 162.207224289396, - "chi2": -176.235598618116, - "chi3": 173.549385576509, - "chi1": -63.7957220368423, - "chi4": -164.295375132181, + "ome": 175.606473083233, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 122.16354939658, - "L4": 1.51888893870392, - "L5": 1.22938863351242, - "L2": 1.44559731287411, - "L3": 1.53893766626879, - "a7": 121.902116515432, - "L1": 1.33893607291679, + "a1": 121.55944054315, + "L4": 1.53167687252784, + "L5": 1.23192676403086, + "L2": 1.48399064350794, + "L3": 1.5096792312263, + "a7": 122.006055754493, + "L1": 1.32502814630971, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.240981147363, + "ss": "H", + "a3": 111.390360804568, "bs": 9.0, - "a2": 112.752259056615, - "a5": 119.837533684537, + "a2": 109.815136218425, + "a5": 120.341555503646, "sidechain_LEU": null, - "chainIndex": 95, + "chainIndex": 36, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.351880419031 + "a4": 111.240777016959 } }, { - "pk": 93, + "pk": 100, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 6, + "aa": "i", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.375605479846, - "psi": 150.324898949383, - "oldID": "93", - "bg": 9.82, + "a6": 115.688997301986, + "psi": 130.329987816391, + "oldID": "39", + "bg": 22.2, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 38.4005051757042, + "sidechain_ILE": 7, + "protein": "1MWW", + "zeta": 35.5556004891431, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 94, + "next": 102, "sidechain_SER": null, - "bm": 7.0, + "bm": 24.0, "xpr": false, - "prev": 92, + "prev": 98, "terminal_flag": false, - "phi": -54.9095820305039, + "phi": -131.073017477665, "chainID": "A", "sidechain_GLN": null, - "ome": 179.100183116609, - "chi2": 36.8447475055239, - "chi3": -37.7816402638879, - "chi1": -21.1820162581469, - "chi4": 25.8936551913584, + "ome": 179.725273368697, + "chi2": -52.3792064968378, + "chi3": null, + "chi1": -53.6605869439738, + "chi4": null, "chi5": null, - "a1": 119.547505206675, - "L4": 1.51943521123517, - "L5": 1.25227024077097, - "L2": 1.45849245197245, - "L3": 1.53766439291315, - "a7": 123.541671894507, - "L1": 1.33007927202625, + "a1": 119.379380164263, + "L4": 1.51070529251605, + "L5": 1.23525506710716, + "L2": 1.45749503190895, + "L3": 1.5722285383733, + "a7": 123.322956164301, + "L1": 1.32376178832276, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -6.9606624867269, + "omep": null, "ss": "E", - "a3": 110.380999196877, - "bs": 9.0, - "a2": 102.884871467303, - "a5": 119.935698818382, + "a3": 105.485388552944, + "bs": 24.0, + "a2": 116.40283982669, + "a5": 120.95135449829, "sidechain_LEU": null, - "chainIndex": 96, + "chainIndex": 39, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.778299170257 + "a4": 103.94180979338 } }, { - "pk": 94, + "pk": 101, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.588829047731, - "psi": 122.615411277344, - "oldID": "94", - "bg": 7.53, + "a6": 114.8661336417, + "psi": 155.622480122578, + "oldID": "29", + "bg": 27.29, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.8687076389386, - "sidechain_PHE": 4, + "protein": "3CGM", + "zeta": 34.5816611169549, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 95, + "next": 106, "sidechain_SER": null, - "bm": 8.0, + "bm": 26.0, "xpr": false, - "prev": 93, + "prev": 97, "terminal_flag": false, - "phi": -134.756501603021, + "phi": -144.392946371368, "chainID": "A", "sidechain_GLN": null, - "ome": 175.095205475864, - "chi2": 58.6869201123193, + "ome": 174.074774548824, + "chi2": -78.694083286587, "chi3": null, - "chi1": 176.472392208634, + "chi1": 74.1625231839327, "chi4": null, "chi5": null, - "a1": 123.124376946044, - "L4": 1.50527344097699, - "L5": 1.23335664975856, - "L2": 1.47959894330188, - "L3": 1.5225768528833, - "a7": 123.121068024864, - "L1": 1.3226568235804, + "a1": 120.555804456613, + "L4": 1.54115207395155, + "L5": 1.26607773049099, + "L2": 1.43035361331048, + "L3": 1.54610795388605, + "a7": 123.423042352021, + "L1": 1.32803929669078, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 5, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.300306894359, - "bs": 7.0, - "a2": 109.113512643972, - "a5": 119.208155761129, + "a3": 107.97969010049, + "bs": 27.0, + "a2": 109.952753852056, + "a5": 121.70753863156, "sidechain_LEU": null, - "chainIndex": 97, + "chainIndex": 29, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.129936190461 + "a4": 111.254952146609 } }, { - "pk": 95, + "pk": 102, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.493449675061, - "psi": 108.084117735171, - "oldID": "95", - "bg": 14.08, + "a6": 115.278089619153, + "psi": 148.70275577471, + "oldID": "40", + "bg": 25.58, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 34.2093143949682, + "protein": "1MWW", + "zeta": 35.815616475078, "sidechain_PHE": null, - "sidechain_LYS": 5, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 96, + "next": 104, "sidechain_SER": null, - "bm": 9.0, + "bm": 21.0, "xpr": false, - "prev": 94, + "prev": 100, "terminal_flag": false, - "phi": -92.8927710724488, + "phi": -119.929540094156, "chainID": "A", "sidechain_GLN": null, - "ome": -175.355238839975, - "chi2": -174.13393303344, - "chi3": -173.4972038518, - "chi1": 178.808622890193, - "chi4": 77.2980202846732, - "chi5": null, - "a1": 124.024921850069, - "L4": 1.52814204401353, - "L5": 1.23316223101328, - "L2": 1.45960352061625, - "L3": 1.51649670252395, - "a7": 122.010113042124, - "L1": 1.31218640775226, - "sidechain_ARG": null, + "ome": -178.881742396889, + "chi2": -177.696717479378, + "chi3": 91.5864745468059, + "chi1": 162.769897602588, + "chi4": 91.481905094729, + "chi5": -3.35645378616786, + "a1": 120.362130099979, + "L4": 1.51958164237054, + "L5": 1.24058562973821, + "L2": 1.42751694982235, + "L3": 1.54025001634627, + "a7": 123.751653262693, + "L1": 1.32934104563234, + "sidechain_ARG": 7, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.430935501068, - "bs": 18.0, - "a2": 110.375152277751, - "a5": 120.477830207759, + "ss": "E", + "a3": 109.889678764412, + "bs": 22.0, + "a2": 107.459211333229, + "a5": 120.870578044742, "sidechain_LEU": null, - "chainIndex": 98, + "chainIndex": 40, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.298335448127 + "a4": 111.471604700421 } }, { - "pk": 96, + "pk": 103, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.180249285765, - "psi": 100.401674918524, - "oldID": "96", - "bg": 10.55, + "a6": 118.7014312554, + "psi": -2.32195902809942, + "oldID": "34", + "bg": 11.11, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWQ", - "zeta": 33.5165050496459, + "zeta": 35.184942458244, "sidechain_PHE": null, - "sidechain_LYS": 6, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 97, + "next": 107, "sidechain_SER": null, - "bm": 11.0, + "bm": 8.0, "xpr": false, - "prev": 95, + "prev": 99, "terminal_flag": false, - "phi": -78.970617413188, + "phi": -78.638996196171, "chainID": "A", "sidechain_GLN": null, - "ome": -179.176246312145, - "chi2": -178.902286390889, - "chi3": 64.209845781985, - "chi1": -170.098873554506, - "chi4": 41.6468744615897, + "ome": -174.33399851589, + "chi2": 172.231096410086, + "chi3": 20.3009784398578, + "chi1": -62.7920825790147, + "chi4": null, "chi5": null, - "a1": 121.619707868789, - "L4": 1.50527143015968, - "L5": 1.24016229433519, - "L2": 1.45728717383555, - "L3": 1.52185372084704, - "a7": 120.628525334804, - "L1": 1.31997934720979, + "a1": 124.546319519092, + "L4": 1.52991296640397, + "L5": 1.22579336192935, + "L2": 1.46167380954416, + "L3": 1.53994854270067, + "a7": 121.464572333562, + "L1": 1.33084987229246, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 8, "omep": null, - "ss": "-", - "a3": 110.214620918161, - "bs": 18.0, - "a2": 109.98291425147, - "a5": 122.134532453754, + "ss": "T", + "a3": 112.320660591385, + "bs": 14.0, + "a2": 110.223698522261, + "a5": 119.824615151948, "sidechain_LEU": null, - "chainIndex": 99, + "chainIndex": 37, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.823088506261 + "a4": 108.613177053643 } }, { - "pk": 97, + "pk": 104, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.460417063363, - "psi": -36.4103252060373, - "oldID": "97", - "bg": 9.74, + "a6": 114.804803188624, + "psi": 130.476771820212, + "oldID": "41", + "bg": 22.67, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 32.0471430975962, - "sidechain_PHE": null, + "protein": "1MWW", + "zeta": 35.5314885583859, + "sidechain_PHE": 3, "sidechain_LYS": null, - "sidechain_VAL": 8, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 98, + "next": 105, "sidechain_SER": null, - "bm": 9.0, + "bm": 21.0, "xpr": false, - "prev": 96, + "prev": 102, "terminal_flag": false, - "phi": -88.2753432079344, + "phi": -121.124303021238, "chainID": "A", "sidechain_GLN": null, - "ome": 172.926726203925, - "chi2": null, + "ome": 176.944338013157, + "chi2": -81.1192610564456, "chi3": null, - "chi1": 175.018083963484, + "chi1": -72.7645513168081, "chi4": null, "chi5": null, - "a1": 123.195800224099, - "L4": 1.51882625297865, - "L5": 1.23057054115176, - "L2": 1.46560606480192, - "L3": 1.52052553043678, - "a7": 123.30421161775, - "L1": 1.30786135814855, + "a1": 122.674376814136, + "L4": 1.5111249462808, + "L5": 1.24574345266216, + "L2": 1.4588665863605, + "L3": 1.56243147772663, + "a7": 122.989549923674, + "L1": 1.32423434963954, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.94954368233, - "bs": 9.0, - "a2": 111.009395093138, - "a5": 121.22794416802, + "ss": "E", + "a3": 107.108139746031, + "bs": 20.0, + "a2": 111.522026730538, + "a5": 122.183197479977, "sidechain_LEU": null, - "chainIndex": 100, + "chainIndex": 41, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.085527992748 + "a4": 108.627939488289 } }, { - "pk": 98, + "pk": 105, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWQA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": null, - "psi": null, - "oldID": "98", - "bg": 9.1, + "a6": 116.60790660378, + "psi": 110.019910895495, + "oldID": "42", + "bg": 30.43, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWQ", - "zeta": 33.5317132036604, - "sidechain_PHE": 5, + "protein": "1MWW", + "zeta": 35.9333812443274, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": null, + "next": 108, "sidechain_SER": null, - "bm": 14.0, + "bm": 24.0, "xpr": false, - "prev": 97, - "terminal_flag": true, - "phi": -123.705814666778, + "prev": 104, + "terminal_flag": false, + "phi": -118.995599554277, "chainID": "A", "sidechain_GLN": null, - "ome": null, - "chi2": 82.8455504557603, + "ome": 179.002090323324, + "chi2": -94.5743909383426, "chi3": null, - "chi1": -62.2176225458756, + "chi1": -168.572270972017, "chi4": null, "chi5": null, - "a1": 125.460709356616, - "L4": 1.53812301080823, - "L5": 1.26748775552412, - "L2": 1.44785743674405, - "L3": 1.51255134081262, - "a7": null, - "L1": 1.34940563677897, + "a1": 119.775246926159, + "L4": 1.54246320945896, + "L5": 1.23058885782904, + "L2": 1.45602439717682, + "L3": 1.52511480899216, + "a7": 124.13088731769, + "L1": 1.31705463937408, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.07798825128, - "bs": 10.0, - "a2": 113.258227518733, - "a5": 117.691149232251, - "sidechain_LEU": null, - "chainIndex": 101, + "ss": "E", + "a3": 105.456766883665, + "bs": 30.0, + "a2": 109.028276282545, + "a5": 119.261201216514, + "sidechain_LEU": 15, + "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.485164073842 + "a4": 110.189628250067 } }, { - "pk": 99, + "pk": 106, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 113.971566486985, - "psi": 140.217584672491, - "oldID": "1", - "bg": 15.43, + "a6": 116.041635791696, + "psi": 113.894078755779, + "oldID": "30", + "bg": 28.61, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.7495570358167, + "protein": "3CGM", + "zeta": 34.6775331374342, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 1, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 100, + "next": 109, "sidechain_SER": null, - "bm": 22.0, + "bm": 26.0, "xpr": false, - "prev": null, + "prev": 101, "terminal_flag": false, - "phi": null, + "phi": -88.5929071023767, "chainID": "A", "sidechain_GLN": null, - "ome": 178.948241865382, - "chi2": -162.19957532987, - "chi3": -118.884616867868, - "chi1": -175.825206493315, + "ome": -178.383695163354, + "chi2": 62.1409780799063, + "chi3": null, + "chi1": 177.349023955312, "chi4": null, "chi5": null, - "a1": null, - "L4": 1.52943627701219, - "L5": 1.24513388340617, - "L2": 1.4727223342593, - "L3": 1.52895053248145, - "a7": 123.893773986576, - "L1": null, + "a1": 121.766459918441, + "L4": 1.54214597792416, + "L5": 1.21519088799154, + "L2": 1.42507016947617, + "L3": 1.51845721717085, + "a7": 123.513327378339, + "L1": 1.329781606885, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.595562563852, - "bs": 22.0, - "a2": 110.094606370182, - "a5": 122.110604472135, - "sidechain_LEU": null, - "chainIndex": 1, + "ss": "E", + "a3": 108.314650346401, + "bs": 28.0, + "a2": 109.689995947651, + "a5": 120.44455593644, + "sidechain_LEU": 16, + "chainIndex": 30, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.669373651319 + "a4": 110.959714759768 } }, { - "pk": 100, + "pk": 107, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1MWWA", + "sidechain_ASN": 3, + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.257882556328, - "psi": 135.575605131546, - "oldID": "2", - "bg": 24.82, + "a6": 116.937724788457, + "psi": 35.6304665673302, + "oldID": "35", + "bg": 16.13, "sidechain_CYS": null, - "sidechain_ILE": 6, - "protein": "1MWW", - "zeta": 37.2302858932244, + "sidechain_ILE": null, + "protein": "1MWQ", + "zeta": 32.752801516277, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 101, + "next": 111, "sidechain_SER": null, - "bm": 19.0, + "bm": 9.0, "xpr": false, - "prev": 99, + "prev": 103, "terminal_flag": false, - "phi": -105.615845184046, + "phi": 57.7906395542835, "chainID": "A", "sidechain_GLN": null, - "ome": 179.676455690354, - "chi2": 169.040128393827, + "ome": -178.751325882799, + "chi2": 38.739920119246, "chi3": null, - "chi1": -73.7763357928924, + "chi1": -166.664881738153, "chi4": null, "chi5": null, - "a1": 124.267367371176, - "L4": 1.5389053905233, - "L5": 1.20114760676764, - "L2": 1.45650288789887, - "L3": 1.5252782644026, - "a7": 121.381692876249, - "L1": 1.31760188957664, + "a1": 122.849696436926, + "L4": 1.51579739412748, + "L5": 1.23540008278422, + "L2": 1.4681908759869, + "L3": 1.52062731904354, + "a7": 122.452419336991, + "L1": 1.34972194373798, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.872912394689, - "bs": 24.0, - "a2": 109.789128865728, - "a5": 121.328317098291, + "ss": "T", + "a3": 111.052622166061, + "bs": 17.0, + "a2": 111.426479976051, + "a5": 120.581520983699, "sidechain_LEU": null, - "chainIndex": 2, + "chainIndex": 38, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.673040299795 + "a4": 111.028239995711 } }, { - "pk": 101, + "pk": 108, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 114.066885205145, - "psi": 139.590670315749, - "oldID": "3", - "bg": 28.7, - "sidechain_CYS": null, + "a6": 115.869937840443, + "psi": 116.542770753798, + "oldID": "43", + "bg": 38.76, + "sidechain_CYS": 1, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.6235958168832, + "zeta": 35.1226336820264, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 5, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 102, + "next": 110, "sidechain_SER": null, - "bm": 19.0, + "bm": 30.0, "xpr": false, - "prev": 100, + "prev": 105, "terminal_flag": false, - "phi": -123.133686890839, + "phi": -89.0579590772686, "chainID": "A", "sidechain_GLN": null, - "ome": 178.377216499116, + "ome": -177.405157020411, "chi2": null, "chi3": null, - "chi1": -59.3754204957426, + "chi1": -63.7566414370903, "chi4": null, "chi5": null, - "a1": 119.104424215384, - "L4": 1.52755918181785, - "L5": 1.25243088812099, - "L2": 1.46523077184758, - "L3": 1.59742701651917, - "a7": 124.978439836355, - "L1": 1.3116851957348, + "a1": 124.949643453778, + "L4": 1.50782157542647, + "L5": 1.23072658453268, + "L2": 1.4754342355321, + "L3": 1.54083218472169, + "a7": 122.653608902882, + "L1": 1.34042819361944, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 109.712911389661, - "bs": 20.0, - "a2": 112.619760108463, - "a5": 120.953854806353, + "a3": 108.540437053995, + "bs": 33.0, + "a2": 110.373434788805, + "a5": 121.473791244109, "sidechain_LEU": null, - "chainIndex": 3, + "chainIndex": 43, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.407078537171 + "a4": 109.673305653325 } }, { - "pk": 102, + "pk": 109, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.441223643949, - "psi": 122.005684587552, - "oldID": "4", - "bg": 20.16, + "a6": 115.374344069008, + "psi": 137.28807755706, + "oldID": "31", + "bg": 24.4, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.5953842332472, + "protein": "3CGM", + "zeta": 36.9483713837267, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 9, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 103, + "next": 113, "sidechain_SER": null, - "bm": 22.0, + "bm": 26.0, "xpr": false, - "prev": 101, + "prev": 106, "terminal_flag": false, - "phi": -115.022218750229, + "phi": -73.8979782485804, "chainID": "A", "sidechain_GLN": null, - "ome": -177.691470695938, + "ome": 175.720588989298, "chi2": null, "chi3": null, - "chi1": 177.437388294836, + "chi1": -165.900494237644, "chi4": null, "chi5": null, - "a1": 123.602759308544, - "L4": 1.49376925243844, - "L5": 1.20476968402635, - "L2": 1.45108030015848, - "L3": 1.55705635023363, - "a7": 123.539619574428, - "L1": 1.34224142324354, + "a1": 125.481919059466, + "L4": 1.52207628612874, + "L5": 1.24133132678534, + "L2": 1.44704290512452, + "L3": 1.53490369829588, + "a7": 122.627622674445, + "L1": 1.33048867705874, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.966978415081, - "bs": 20.0, - "a2": 112.524699009054, - "a5": 120.017092740484, + "ss": "T", + "a3": 114.075979451156, + "bs": 24.0, + "a2": 107.25837668824, + "a5": 121.967009642857, "sidechain_LEU": null, - "chainIndex": 4, - "sidechain_HIS": null, + "chainIndex": 31, + "sidechain_HIS": 5, "h_bond_energy": 0.0, - "a4": 108.89804164675 + "a4": 108.766523725929 } }, { - "pk": 103, + "pk": 110, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.81545233659, - "psi": 134.348945608091, - "oldID": "5", - "bg": 13.62, + "a6": 115.890569838348, + "psi": 147.176621773648, + "oldID": "44", + "bg": 20.9, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.8633984399468, - "sidechain_PHE": 6, + "zeta": 36.1323720230175, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 104, + "next": 114, "sidechain_SER": null, - "bm": 19.0, + "bm": 29.0, "xpr": false, - "prev": 102, + "prev": 108, "terminal_flag": false, - "phi": -111.675651318201, + "phi": -91.8560455195085, "chainID": "A", "sidechain_GLN": null, - "ome": -179.578809420529, - "chi2": 91.535757379195, + "ome": 174.689295309382, + "chi2": 157.536141518262, "chi3": null, - "chi1": -57.4495840005169, + "chi1": -59.9763318197375, "chi4": null, "chi5": null, - "a1": 121.547918555456, - "L4": 1.54412264128329, - "L5": 1.19021930730603, - "L2": 1.4579748806367, - "L3": 1.53369474891845, - "a7": 121.865275092896, - "L1": 1.32890513132164, + "a1": 120.466484630322, + "L4": 1.52547659800974, + "L5": 1.24947490638552, + "L2": 1.44163343430628, + "L3": 1.53700115543431, + "a7": 124.217664277655, + "L1": 1.31547686431805, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 107.893586302248, - "bs": 16.0, - "a2": 110.732321304764, - "a5": 121.315827569238, - "sidechain_LEU": null, - "chainIndex": 5, + "a3": 113.212272705877, + "bs": 21.0, + "a2": 107.968923858655, + "a5": 119.879008595752, + "sidechain_LEU": 17, + "chainIndex": 44, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.672583707317 + "a4": 109.443297528351 } }, { - "pk": 104, + "pk": 111, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 113.2626120692, - "psi": 164.070352220956, - "oldID": "6", - "bg": 0.0, + "a6": 119.601068828965, + "psi": -1.13464136797543, + "oldID": "36", + "bg": 9.13, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": null, + "protein": "1MWQ", + "zeta": 33.5298880596877, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 105, + "next": 112, "sidechain_SER": null, - "bm": 23.0, + "bm": 8.0, "xpr": false, - "prev": 103, + "prev": 107, "terminal_flag": false, - "phi": -169.117856187608, + "phi": -113.626664332249, "chainID": "A", "sidechain_GLN": null, - "ome": -179.669089077763, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.507294164272, - "L4": 1.50739811491799, - "L5": 1.24754003017138, - "L2": 1.44102871292622, - "L3": null, - "a7": 125.327401098024, - "L1": 1.30962353352463, - "sidechain_ARG": null, + "ome": -174.954663844623, + "chi2": -172.382176938753, + "chi3": 176.291496029028, + "chi1": -74.525821245843, + "chi4": -167.380873434797, + "chi5": 0.844754718682431, + "a1": 123.070299941848, + "L4": 1.5259609598246, + "L5": 1.24461410012435, + "L2": 1.44837699974692, + "L3": 1.51525923794117, + "a7": 121.711147451596, + "L1": 1.3402209642436, + "sidechain_ARG": 8, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.974773075641, - "bs": 0.0, - "a2": null, - "a5": 121.328944647052, + "ss": "-", + "a3": 113.172278312961, + "bs": 10.0, + "a2": 110.28839886402, + "a5": 118.687678598641, "sidechain_LEU": null, - "chainIndex": 6, + "chainIndex": 39, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.373188437693 } }, { - "pk": 105, + "pk": 112, "model": "pgd_core.residue", "fields": { "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.501819372965, - "psi": 132.390197966738, - "oldID": "7", - "bg": 33.03, + "a6": 117.805887734958, + "psi": 115.76610041366, + "oldID": "37", + "bg": 7.4, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.448878683065, + "protein": "1MWQ", + "zeta": 34.1427519602651, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 106, + "next": 115, "sidechain_SER": null, - "bm": 26.0, + "bm": 8.0, "xpr": false, - "prev": 104, + "prev": 111, "terminal_flag": false, - "phi": -67.9582169024973, + "phi": -100.852108630676, "chainID": "A", "sidechain_GLN": null, - "ome": -176.784194037551, - "chi2": 37.423358628581, + "ome": 174.231813427736, + "chi2": 56.8189835568831, "chi3": null, - "chi1": -153.102964953363, + "chi1": -174.669662366004, "chi4": null, "chi5": null, - "a1": 124.576701989245, - "L4": 1.50049039512891, - "L5": 1.24042078070166, - "L2": 1.45980223047855, - "L3": 1.53165856371592, - "a7": 124.553868149841, - "L1": 1.32880889490307, + "a1": 122.216815570495, + "L4": 1.52762755581074, + "L5": 1.2478451351279, + "L2": 1.44753627226453, + "L3": 1.52230175540163, + "a7": 121.633646047357, + "L1": 1.3053893767413, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 105.800383446721, - "bs": 33.0, - "a2": 108.655920963775, - "a5": 119.931654208757, - "sidechain_LEU": 9, - "chainIndex": 7, + "a3": 109.484238847314, + "bs": 7.0, + "a2": 110.362102357102, + "a5": 120.539003492031, + "sidechain_LEU": 18, + "chainIndex": 40, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.610577588842 + "a4": 110.709870832512 } }, { - "pk": 106, + "pk": 113, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.90652180528, - "psi": -56.1694039873152, - "oldID": "8", - "bg": 43.9, + "a6": 117.325255408728, + "psi": 19.8580200316182, + "oldID": "32", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.552968648111, + "protein": "3CGM", + "zeta": null, "sidechain_PHE": null, - "sidechain_LYS": 7, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 107, + "next": 116, "sidechain_SER": null, - "bm": 33.0, + "bm": 31.0, "xpr": false, - "prev": 105, + "prev": 109, "terminal_flag": false, - "phi": -49.5158879458563, + "phi": 92.8796458369362, "chainID": "A", "sidechain_GLN": null, - "ome": -179.637533232463, - "chi2": -179.9792722709, - "chi3": -166.940721474618, - "chi1": -161.695267968911, - "chi4": -134.166662097156, + "ome": 179.368252187684, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 121.992872882102, - "L4": 1.54222620560141, - "L5": 1.24301615073467, - "L2": 1.47071275183721, - "L3": 1.54369562745593, - "a7": 122.588447109113, - "L1": 1.32855172508218, + "a1": 121.013386841037, + "L4": 1.5167453376871, + "L5": 1.22073962646672, + "L2": 1.45605300527706, + "L3": null, + "a7": 122.790873637026, + "L1": 1.32245000202163, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.584175011297, - "bs": 45.0, - "a2": 110.094642201079, - "a5": 120.503975320553, + "ss": "T", + "a3": 115.070185015923, + "bs": 0.0, + "a2": null, + "a5": 119.883125290013, "sidechain_LEU": null, - "chainIndex": 8, + "chainIndex": 32, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.125835280449 + "a4": null } }, { - "pk": 107, + "pk": 114, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.905495090811, - "psi": -35.3008994423526, - "oldID": "9", - "bg": 43.72, + "a6": 118.833308575944, + "psi": 152.929601545324, + "oldID": "45", + "bg": 51.75, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 33.1432104898277, + "zeta": 36.1262527295263, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 108, - "sidechain_SER": 3, - "bm": 36.0, + "next": 119, + "sidechain_SER": null, + "bm": 37.0, "xpr": false, - "prev": 106, + "prev": 110, "terminal_flag": false, - "phi": -51.5299149064312, + "phi": -84.3439861577917, "chainID": "A", "sidechain_GLN": null, - "ome": 178.847381181632, - "chi2": null, - "chi3": null, - "chi1": 43.3629813189214, + "ome": -177.76705802449, + "chi2": -53.310564630965, + "chi3": -21.9834606303986, + "chi1": -70.6596652757155, "chi4": null, "chi5": null, - "a1": 119.926515224359, - "L4": 1.53363608566389, - "L5": 1.22788456571291, - "L2": 1.48259247887642, - "L3": 1.533013783692, - "a7": 120.820176715128, - "L1": 1.32989243684306, + "a1": 122.185198505711, + "L4": 1.54014254628281, + "L5": 1.22282884491761, + "L2": 1.47434299347436, + "L3": 1.52818642355849, + "a7": 121.907308178969, + "L1": 1.33294380745523, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 9, "omep": null, - "ss": "H", - "a3": 113.206244024085, - "bs": 41.0, - "a2": 109.997844463416, - "a5": 121.251108941012, + "ss": "-", + "a3": 100.508577003394, + "bs": 50.0, + "a2": 112.175849410629, + "a5": 119.255475370003, "sidechain_LEU": null, - "chainIndex": 9, + "chainIndex": 45, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.123673701003 + "a4": 107.419109730953 } }, { - "pk": 108, + "pk": 115, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.199880689128, - "psi": -36.3079989720849, - "oldID": "10", - "bg": 34.01, + "a6": 118.075330024773, + "psi": -53.7538980472905, + "oldID": "38", + "bg": 11.07, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.2994025283079, + "protein": "1MWQ", + "zeta": 33.7364051250073, "sidechain_PHE": null, - "sidechain_LYS": 8, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 109, + "next": 117, "sidechain_SER": null, - "bm": 35.0, + "bm": 7.0, "xpr": false, - "prev": 107, + "prev": 112, "terminal_flag": false, - "phi": -89.8938442546119, + "phi": -79.5873166824619, "chainID": "A", "sidechain_GLN": null, - "ome": -175.450194543093, - "chi2": -67.9002123671862, - "chi3": -103.410559565242, - "chi1": -60.3901087004233, - "chi4": -59.2997669023759, + "ome": 175.405196953364, + "chi2": 67.5086595386799, + "chi3": null, + "chi1": -171.434063111814, + "chi4": null, "chi5": null, - "a1": 119.017265537164, - "L4": 1.51303576708832, - "L5": 1.22641771266243, - "L2": 1.44642997241566, - "L3": 1.50839544047398, - "a7": 122.590223688265, - "L1": 1.32154009332393, + "a1": 121.434915032569, + "L4": 1.53585455713016, + "L5": 1.24677421262066, + "L2": 1.4454610441403, + "L3": 1.53148628554293, + "a7": 122.788902182323, + "L1": 1.32597198540311, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 115.752260997999, - "bs": 42.0, - "a2": 109.872900274441, - "a5": 121.209886643495, - "sidechain_LEU": null, - "chainIndex": 10, + "ss": "E", + "a3": 109.09597734166, + "bs": 13.0, + "a2": 109.134990267599, + "a5": 119.13571238888, + "sidechain_LEU": 19, + "chainIndex": 41, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.591396077083 + "a4": 112.732797235406 } }, { - "pk": 109, + "pk": 116, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.683385329552, - "psi": -42.1614207083811, - "oldID": "11", - "bg": 28.8, + "a6": 116.768296857554, + "psi": 32.1163563909145, + "oldID": "33", + "bg": 41.12, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.3785374327942, + "protein": "3CGM", + "zeta": 36.3075527808805, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 110, + "next": 118, "sidechain_SER": null, - "bm": 29.0, + "bm": 38.0, "xpr": false, - "prev": 108, + "prev": 113, "terminal_flag": false, - "phi": -81.1091273307291, + "phi": -140.432745498438, "chainID": "A", "sidechain_GLN": null, - "ome": -175.371842895907, - "chi2": 60.539942595762, + "ome": 174.737335550668, + "chi2": null, "chi3": null, - "chi1": -179.080087803247, + "chi1": -61.6597862246895, "chi4": null, "chi5": null, - "a1": 120.696217062793, - "L4": 1.51940888070771, - "L5": 1.19036000387069, - "L2": 1.44643563187999, - "L3": 1.56687056793579, - "a7": 121.934088989572, - "L1": 1.32191234230122, + "a1": 122.462232684939, + "L4": 1.52118107726015, + "L5": 1.23650888634669, + "L2": 1.45596224554251, + "L3": 1.52009135914414, + "a7": 122.712753221752, + "L1": 1.33137488585137, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.732661509509, - "bs": 26.0, - "a2": 110.177395282183, - "a5": 119.310253858219, - "sidechain_LEU": 10, - "chainIndex": 11, - "sidechain_HIS": null, + "ss": "S", + "a3": 111.93487918326, + "bs": 42.0, + "a2": 109.857293008396, + "a5": 120.50972050219, + "sidechain_LEU": null, + "chainIndex": 33, + "sidechain_HIS": 6, "h_bond_energy": 0.0, - "a4": 108.413050463808 + "a4": 107.346075714355 } }, { - "pk": 110, + "pk": 117, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.573786697854, - "psi": -53.3650035548826, - "oldID": "12", - "bg": 0.0, + "a6": 115.499221759517, + "psi": 161.880373773631, + "oldID": "39", + "bg": 9.95, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.0803375659217, + "protein": "1MWQ", + "zeta": 34.2593084054493, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 5, "sidechain_TRP": null, - "next": 111, + "next": 120, "sidechain_SER": null, - "bm": 35.0, + "bm": 6.0, "xpr": false, - "prev": 109, + "prev": 115, "terminal_flag": false, - "phi": -48.7376023621202, + "phi": -160.315774145049, "chainID": "A", "sidechain_GLN": null, - "ome": -179.685073802524, + "ome": 173.942091862706, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -164.776506878538, "chi4": null, "chi5": null, - "a1": 118.62954323085, - "L4": 1.52838273712389, - "L5": 1.2292534829368, - "L2": 1.47299577139346, - "L3": 1.51217749525785, - "a7": 121.838324589777, - "L1": 1.32272480900794, + "a1": 121.49520521723, + "L4": 1.51148560528947, + "L5": 1.23631589640543, + "L2": 1.47056598713859, + "L3": 1.54193509022648, + "a7": 123.211991889759, + "L1": 1.31282548637482, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.733613429653, - "bs": 34.0, - "a2": 109.869833756505, - "a5": 120.46149661401, + "ss": "E", + "a3": 109.401200548018, + "bs": 9.0, + "a2": 110.150832492007, + "a5": 121.280155439806, "sidechain_LEU": null, - "chainIndex": 12, + "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.362576236965 + "a4": 110.956355584615 } }, { - "pk": 111, + "pk": 118, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 7, + "aa": "r", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.804617502819, - "psi": -30.2324380838045, - "oldID": "13", - "bg": 41.48, + "a6": 118.232742316419, + "psi": 33.8890833146531, + "oldID": "34", + "bg": 49.55, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 37.8499075048699, + "protein": "3CGM", + "zeta": 34.1134271450503, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 112, + "next": 122, "sidechain_SER": null, - "bm": 37.0, + "bm": 42.0, "xpr": false, - "prev": 110, + "prev": 116, "terminal_flag": false, - "phi": -59.1585764839827, + "phi": 59.8843981504351, "chainID": "A", "sidechain_GLN": null, - "ome": -177.75265492979, - "chi2": 42.2239207431031, - "chi3": -41.8827945810921, - "chi1": -25.8589620919772, - "chi4": 27.5566918677826, - "chi5": null, - "a1": 121.364310953686, - "L4": 1.50216255811895, - "L5": 1.21722187642075, - "L2": 1.46364005251949, - "L3": 1.53520390402017, - "a7": 122.348299272388, - "L1": 1.35380612080534, - "sidechain_ARG": null, + "ome": 176.8771210696, + "chi2": -137.103425504516, + "chi3": -98.5255777047206, + "chi1": -38.4645858488698, + "chi4": -19.5404801563084, + "chi5": 0.22977590210439, + "a1": 121.462106076516, + "L4": 1.51657480763687, + "L5": 1.22197501907509, + "L2": 1.46720463801818, + "L3": 1.52478501843602, + "a7": 121.603819476882, + "L1": 1.329868416411, + "sidechain_ARG": 9, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 0.663608836348069, - "ss": "H", - "a3": 114.684158207972, - "bs": 39.0, - "a2": 103.269533587546, - "a5": 119.843174992569, + "omep": null, + "ss": "S", + "a3": 114.073862187299, + "bs": 58.0, + "a2": 109.554310505743, + "a5": 120.163339029442, "sidechain_LEU": null, - "chainIndex": 13, + "chainIndex": 34, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.327780158714 + "a4": 110.063672694889 } }, { - "pk": 112, + "pk": 119, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.165863204473, - "psi": 2.92670410481782, - "oldID": "14", - "bg": 37.43, + "a6": 116.052539785168, + "psi": -36.4259751251777, + "oldID": "46", + "bg": 52.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.6166674068408, + "zeta": 33.4277285022388, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 10, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 113, + "next": 121, "sidechain_SER": null, - "bm": 29.0, + "bm": 38.0, "xpr": false, - "prev": 111, + "prev": 114, "terminal_flag": false, - "phi": -95.1523536048361, + "phi": -54.2725772528623, "chainID": "A", "sidechain_GLN": null, - "ome": -178.872182708198, - "chi2": 148.595317163748, - "chi3": 115.608511089218, - "chi1": -22.870434288887, - "chi4": 152.094638190362, - "chi5": -0.180143792895713, - "a1": 119.809591447298, - "L4": 1.52846733202763, - "L5": 1.22402576667708, - "L2": 1.46564203102681, - "L3": 1.54720766575695, - "a7": 122.503766178017, - "L1": 1.3260557548465, - "sidechain_ARG": 5, + "ome": -178.092574444686, + "chi2": 176.72751150803, + "chi3": 173.602054552732, + "chi1": -99.7759653799632, + "chi4": -51.5232885076165, + "chi5": null, + "a1": 120.128337237176, + "L4": 1.50224941664217, + "L5": 1.2420955832677, + "L2": 1.46511759818485, + "L3": 1.52217791572883, + "a7": 123.445944037302, + "L1": 1.32960374819268, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 115.030731901058, - "bs": 44.0, - "a2": 110.901652394837, - "a5": 119.329443568935, + "ss": "G", + "a3": 115.506631065872, + "bs": 48.0, + "a2": 110.72055047898, + "a5": 120.463591614247, "sidechain_LEU": null, - "chainIndex": 14, + "chainIndex": 46, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.894147403324 + "a4": 109.327065315151 } }, { - "pk": 113, + "pk": 120, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.829797775154, - "psi": -50.6311409703504, - "oldID": "15", - "bg": 28.18, + "a6": 114.989315236552, + "psi": 152.774580451443, + "oldID": "40", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.7714930295288, + "protein": "1MWQ", + "zeta": 34.5991648757137, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 114, + "next": 123, "sidechain_SER": null, - "bm": 36.0, + "bm": 6.0, "xpr": false, - "prev": 112, + "prev": 117, "terminal_flag": false, - "phi": -48.1417247636659, + "phi": -160.350182163024, "chainID": "A", "sidechain_GLN": null, - "ome": -179.192144872355, - "chi2": 177.555155220795, - "chi3": -65.80647401726, - "chi1": -83.7223485927962, - "chi4": -150.842512176765, - "chi5": -0.0797550891682785, - "a1": 121.374407896981, - "L4": 1.50752677741528, - "L5": 1.2343245540282, - "L2": 1.47676751153106, - "L3": 1.5463758766257, - "a7": 122.692658302475, - "L1": 1.33161799468374, - "sidechain_ARG": 6, + "ome": 171.770409777236, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 122.155888942119, + "L4": 1.52736718440888, + "L5": 1.24436891246646, + "L2": 1.45854392808524, + "L3": 1.53237878972464, + "a7": 124.226331690915, + "L1": 1.3216854199748, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 116.744240220318, - "bs": 34.0, - "a2": 111.704274575984, - "a5": 120.461600923122, + "ss": "E", + "a3": 108.783921419601, + "bs": 6.0, + "a2": 111.897292138874, + "a5": 120.726915265016, "sidechain_LEU": null, - "chainIndex": 15, + "chainIndex": 43, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.578891677035 + "a4": 108.720937319927 } }, { - "pk": 114, + "pk": 121, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -69731,2317 +58054,2378 @@ "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.759357943762, - "psi": -44.3776081726173, - "oldID": "16", - "bg": 47.41, + "a6": 117.17196000851, + "psi": -13.6367373441947, + "oldID": "47", + "bg": 54.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.7690729487352, + "zeta": 34.409126875779, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 115, + "next": 125, "sidechain_SER": null, - "bm": 32.0, + "bm": 42.0, "xpr": false, - "prev": 113, + "prev": 119, "terminal_flag": false, - "phi": -62.5904079846442, + "phi": -69.2552805659234, "chainID": "A", "sidechain_GLN": null, - "ome": -178.297133080549, - "chi2": 166.101866769426, - "chi3": 34.6432689479279, - "chi1": -56.418219454365, + "ome": -179.033090724136, + "chi2": 74.8139649072609, + "chi3": 38.8555771431623, + "chi1": -56.7582368957212, "chi4": null, "chi5": null, - "a1": 119.948899246941, - "L4": 1.50760909453231, - "L5": 1.21515541898624, - "L2": 1.46353977348785, - "L3": 1.54367446503606, - "a7": 120.999831856261, - "L1": 1.33403223384864, + "a1": 119.954375000313, + "L4": 1.50855831478853, + "L5": 1.21998580668165, + "L2": 1.46237709872365, + "L3": 1.51850501517185, + "a7": 122.992194750423, + "L1": 1.32930361349432, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 8, + "sidechain_GLU": 10, "omep": null, - "ss": "H", - "a3": 112.90128672687, - "bs": 49.0, - "a2": 110.552827209413, - "a5": 122.240558071653, + "ss": "G", + "a3": 115.1470225371, + "bs": 55.0, + "a2": 110.211189497061, + "a5": 119.832189130595, "sidechain_LEU": null, - "chainIndex": 16, + "chainIndex": 47, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.833066857202 + "a4": 108.651097572853 } }, { - "pk": 115, + "pk": 122, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1MWWA", + "sidechain_ASN": 4, + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.735420239928, - "psi": -33.3641542992465, - "oldID": "17", - "bg": 45.21, + "a6": 116.965105437891, + "psi": -25.200414239508, + "oldID": "35", + "bg": 35.29, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.7518410785617, + "protein": "3CGM", + "zeta": 31.859884966147, "sidechain_PHE": null, - "sidechain_LYS": 9, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 116, + "next": 128, "sidechain_SER": null, - "bm": 34.0, + "bm": 35.0, "xpr": false, - "prev": 114, + "prev": 118, "terminal_flag": false, - "phi": -70.0240039624283, + "phi": -83.9767941286598, "chainID": "A", "sidechain_GLN": null, - "ome": 178.891540611391, - "chi2": 47.8004003041956, - "chi3": -153.868281201806, - "chi1": -177.17315983969, - "chi4": 147.920149291916, + "ome": 173.424932083332, + "chi2": -49.2334335349607, + "chi3": null, + "chi1": -62.9031710016798, + "chi4": null, "chi5": null, - "a1": 118.223382835316, - "L4": 1.52273506490699, - "L5": 1.23775546887931, - "L2": 1.45831841225049, - "L3": 1.52520359888067, - "a7": 121.660112719413, - "L1": 1.315741319878, + "a1": 117.970737858429, + "L4": 1.51655156287924, + "L5": 1.23308577702819, + "L2": 1.45151806539144, + "L3": 1.51573535252251, + "a7": 122.825747535703, + "L1": 1.32531642791358, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.918157159565, - "bs": 47.0, - "a2": 108.491540692183, - "a5": 121.602376470786, + "ss": "S", + "a3": 112.638819417963, + "bs": 35.0, + "a2": 110.701176888795, + "a5": 120.204643899377, "sidechain_LEU": null, - "chainIndex": 17, + "chainIndex": 35, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.681129072957 + "a4": 112.419034746842 } }, { - "pk": 116, + "pk": 123, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.487739450681, - "psi": -30.9597110440399, - "oldID": "18", - "bg": 25.94, + "a6": 115.213000697, + "psi": 173.125443612875, + "oldID": "41", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.2322486935904, + "protein": "1MWQ", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 117, + "next": 124, "sidechain_SER": null, - "bm": 27.0, + "bm": 6.0, "xpr": false, - "prev": 115, + "prev": 120, "terminal_flag": false, - "phi": -67.9988818815639, + "phi": 165.236431424703, "chainID": "A", "sidechain_GLN": null, - "ome": -179.19247304419, - "chi2": 154.049868350975, + "ome": -178.633756920666, + "chi2": null, "chi3": null, - "chi1": -97.5997281547476, + "chi1": null, "chi4": null, "chi5": null, - "a1": 117.736584784351, - "L4": 1.50998385616589, - "L5": 1.24316556943644, - "L2": 1.46958611424113, - "L3": 1.51194994981011, - "a7": 123.005096120252, - "L1": 1.33452269801448, + "a1": 121.956801528646, + "L4": 1.4989123712114, + "L5": 1.23725412408718, + "L2": 1.45643963012406, + "L3": null, + "a7": 122.102067567656, + "L1": 1.3113203955278, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.728711335921, - "bs": 24.0, - "a2": 109.500509912313, - "a5": 120.506328952174, - "sidechain_LEU": 11, - "chainIndex": 18, + "ss": "E", + "a3": 111.468171084221, + "bs": 0.0, + "a2": null, + "a5": 122.684930384726, + "sidechain_LEU": null, + "chainIndex": 44, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.181319305957 + "a4": null } }, { - "pk": 117, + "pk": 124, "model": "pgd_core.residue", "fields": { - "aa": "a", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 4, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.41784008232, - "psi": -41.819314849883, - "oldID": "19", - "bg": 0.0, + "a6": 113.36277284814, + "psi": 164.05141347906, + "oldID": "42", + "bg": 9.1, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.1079744576364, + "protein": "1MWQ", + "zeta": 38.7725785506539, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 118, + "next": 126, "sidechain_SER": null, - "bm": 29.0, + "bm": 6.0, "xpr": false, - "prev": 116, + "prev": 123, "terminal_flag": false, - "phi": -69.2292467702229, + "phi": -82.8100240768613, "chainID": "A", "sidechain_GLN": null, - "ome": 178.553048355527, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 176.27209609291, + "chi2": -38.5158290885766, + "chi3": 27.566272653311, + "chi1": 33.7618586778166, + "chi4": -6.2813805705791, "chi5": null, - "a1": 117.457373179875, - "L4": 1.51551157263401, - "L5": 1.21856383342661, - "L2": 1.45810773230329, - "L3": 1.55116349304646, - "a7": 122.205613252096, - "L1": 1.33775133415252, + "a1": 121.703583813259, + "L4": 1.52345480212783, + "L5": 1.22041927918719, + "L2": 1.46004427507773, + "L3": 1.52757139184377, + "a7": 123.104152113333, + "L1": 1.33560837838426, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.625748125509, - "bs": 28.0, - "a2": 110.276659904235, - "a5": 121.36834042836, + "omep": -4.04066819420276, + "ss": "E", + "a3": 110.881841027463, + "bs": 8.0, + "a2": 102.482218781082, + "a5": 123.504011356661, "sidechain_LEU": null, - "chainIndex": 19, + "chainIndex": 45, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.7573483531 + "a4": 111.361615016704 } }, { - "pk": 118, + "pk": 125, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", - "sidechain_ASP": null, - "a6": 116.429784324692, - "psi": -47.4694462097177, - "oldID": "20", - "bg": 49.25, + "sidechain_ASP": 5, + "a6": 117.661368441835, + "psi": -3.96902781009201, + "oldID": "48", + "bg": 32.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.520015837, + "zeta": 35.6572780158272, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 119, + "next": 127, "sidechain_SER": null, - "bm": 33.0, + "bm": 34.0, "xpr": false, - "prev": 117, + "prev": 121, "terminal_flag": false, - "phi": -58.2466651699985, + "phi": -102.069500319339, "chainID": "A", "sidechain_GLN": null, - "ome": -179.899019686488, - "chi2": 175.633299828081, - "chi3": -33.2473464811442, - "chi1": 169.766201106521, + "ome": -175.662988316231, + "chi2": -42.5445985743858, + "chi3": null, + "chi1": -69.6522459137458, "chi4": null, "chi5": null, - "a1": 119.854501335133, - "L4": 1.5104363476785, - "L5": 1.24729676922998, - "L2": 1.46419232932492, - "L3": 1.52335078150905, - "a7": 123.646058911669, - "L1": 1.32923282932469, + "a1": 121.405139911953, + "L4": 1.52119516775121, + "L5": 1.23341491335974, + "L2": 1.45390717472757, + "L3": 1.5138767177431, + "a7": 122.615826473174, + "L1": 1.3321387548322, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 9, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.290240592994, - "bs": 53.0, - "a2": 110.163386146248, - "a5": 119.913792006729, + "ss": "G", + "a3": 114.490224408986, + "bs": 29.0, + "a2": 109.941402649699, + "a5": 119.707050106548, "sidechain_LEU": null, - "chainIndex": 20, + "chainIndex": 48, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.822515556272 + "a4": 107.404287824848 } }, { - "pk": 119, + "pk": 126, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1MWWA", + "sidechain_ASN": 5, + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.455787736556, - "psi": -42.5632859300338, - "oldID": "21", - "bg": 41.61, + "a6": 118.31809512334, + "psi": 100.5211115328, + "oldID": "43", + "bg": 6.57, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.5918293133879, + "protein": "1MWQ", + "zeta": 34.8235331490422, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 10, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 120, + "next": 129, "sidechain_SER": null, - "bm": 34.0, + "bm": 6.0, "xpr": false, - "prev": 118, + "prev": 124, "terminal_flag": false, - "phi": -61.2467720733641, + "phi": -110.666240151592, "chainID": "A", "sidechain_GLN": null, - "ome": 178.256080203748, - "chi2": null, + "ome": 177.559735309971, + "chi2": 110.292941654648, "chi3": null, - "chi1": 160.193819614906, + "chi1": -61.5331015386514, "chi4": null, "chi5": null, - "a1": 122.178397505993, - "L4": 1.51790073317508, - "L5": 1.22376458995412, - "L2": 1.48988220581317, - "L3": 1.58148760580625, - "a7": 123.06666265026, - "L1": 1.34979193734035, + "a1": 122.677706984842, + "L4": 1.53587568833864, + "L5": 1.24089066000933, + "L2": 1.45168643395447, + "L3": 1.54025682138067, + "a7": 120.675021919469, + "L1": 1.34702344527149, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.217125801724, - "bs": 46.0, - "a2": 113.310790098357, - "a5": 120.383990952033, + "ss": "E", + "a3": 109.249684917842, + "bs": 7.0, + "a2": 110.968893391157, + "a5": 121.002692353394, "sidechain_LEU": null, - "chainIndex": 21, + "chainIndex": 46, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.267131015957 + "a4": 109.300191297796 } }, { - "pk": 120, + "pk": 127, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.70655309334, - "psi": -51.0693379861349, - "oldID": "22", - "bg": 20.78, + "a6": 118.005672163555, + "psi": 90.679096610937, + "oldID": "49", + "bg": 27.89, "sidechain_CYS": null, - "sidechain_ILE": 7, + "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.7541258422408, - "sidechain_PHE": null, + "zeta": 34.761432321937, + "sidechain_PHE": 4, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 121, + "next": 130, "sidechain_SER": null, - "bm": 28.0, + "bm": 30.0, "xpr": false, - "prev": 119, + "prev": 125, "terminal_flag": false, - "phi": -67.259832418841, + "phi": -116.778151755324, "chainID": "A", "sidechain_GLN": null, - "ome": 177.767651431682, - "chi2": 155.299531132116, + "ome": 178.254384524327, + "chi2": 20.2936222136142, "chi3": null, - "chi1": -70.8789735378546, + "chi1": -160.085573421048, "chi4": null, "chi5": null, - "a1": 120.905993314097, - "L4": 1.52007077092062, - "L5": 1.2485408469596, - "L2": 1.47953174836177, - "L3": 1.58637606390125, - "a7": 122.942721401748, - "L1": 1.34217926808392, + "a1": 120.638425078158, + "L4": 1.54076729824479, + "L5": 1.2205902595724, + "L2": 1.47896745454395, + "L3": 1.53923492984048, + "a7": 121.726802648064, + "L1": 1.33462597254359, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.135585422716, - "bs": 22.0, - "a2": 112.170319066341, - "a5": 120.309546430844, + "ss": "E", + "a3": 118.143756822955, + "bs": 25.0, + "a2": 108.454185954784, + "a5": 120.250326456166, "sidechain_LEU": null, - "chainIndex": 22, + "chainIndex": 49, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.978192130008 + "a4": 108.903596770417 } }, { - "pk": 121, + "pk": 128, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.388305212121, - "psi": -44.2998428897038, - "oldID": "23", - "bg": 25.18, + "a6": 117.718275041479, + "psi": 168.963647101788, + "oldID": "36", + "bg": 31.97, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.2985490906346, + "protein": "3CGM", + "zeta": 34.871115671043, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 122, + "next": 133, "sidechain_SER": null, - "bm": 32.0, + "bm": 31.0, "xpr": false, - "prev": 120, + "prev": 122, "terminal_flag": false, - "phi": -57.0923317940631, + "phi": -117.405436215002, "chainID": "A", "sidechain_GLN": null, - "ome": 179.734972000473, - "chi2": -38.8077590704829, + "ome": 174.588315734983, + "chi2": -179.74182795296, "chi3": null, - "chi1": -83.8000086249566, + "chi1": -56.0435656751999, "chi4": null, "chi5": null, - "a1": 118.905196089322, - "L4": 1.55232487569025, - "L5": 1.24464107908329, - "L2": 1.47788181525186, - "L3": 1.54979375075087, - "a7": 121.526922658581, - "L1": 1.34390096703772, + "a1": 121.010775374998, + "L4": 1.50199873737251, + "L5": 1.21384268580124, + "L2": 1.47118085420684, + "L3": 1.51766207969413, + "a7": 123.448391318335, + "L1": 1.33709274874821, "sidechain_ARG": null, - "sidechain_TYR": 5, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 104.758757180875, - "bs": 30.0, - "a2": 110.618674926825, - "a5": 121.897382657232, - "sidechain_LEU": null, - "chainIndex": 23, + "ss": "S", + "a3": 109.031716973282, + "bs": 31.0, + "a2": 111.327942767798, + "a5": 118.773691867678, + "sidechain_LEU": 20, + "chainIndex": 36, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.514184843853 + "a4": 108.715714031796 } }, { - "pk": 122, + "pk": 129, "model": "pgd_core.residue", "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 6, - "chain": "1MWWA", + "aa": "p", + "sidechain_PRO": 5, + "sidechain_ASN": null, + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 119.440925610042, - "psi": -42.1897638742992, - "oldID": "24", - "bg": 52.77, + "a6": 115.893146867644, + "psi": 145.767418259181, + "oldID": "44", + "bg": 9.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 32.6887047962906, + "protein": "1MWQ", + "zeta": 38.1099499724021, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 123, + "next": 131, "sidechain_SER": null, - "bm": 37.0, + "bm": 7.0, "xpr": false, - "prev": 121, + "prev": 126, "terminal_flag": false, - "phi": -57.0020691815354, + "phi": -54.7159145435839, "chainID": "A", "sidechain_GLN": null, - "ome": -179.137523781726, - "chi2": 64.2487229273983, - "chi3": null, - "chi1": -162.499517096877, - "chi4": null, + "ome": 178.855248916142, + "chi2": 39.2063437012664, + "chi3": -33.3016244733656, + "chi1": -29.252567017146, + "chi4": 16.0309986400858, "chi5": null, - "a1": 116.627090453616, - "L4": 1.52786617609623, - "L5": 1.18845530635762, - "L2": 1.45551225281826, - "L3": 1.51466099835821, - "a7": 121.772385489154, - "L1": 1.33019238204099, + "a1": 121.858016366806, + "L4": 1.51556091588405, + "L5": 1.2282130206089, + "L2": 1.46678853576329, + "L3": 1.52738804668722, + "a7": 122.113505734182, + "L1": 1.33515032081798, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 116.401127070866, - "bs": 52.0, - "a2": 111.472674599011, - "a5": 118.781843578844, + "omep": -6.18954334061171, + "ss": "E", + "a3": 111.927887613364, + "bs": 8.0, + "a2": 102.547075681364, + "a5": 121.825371468349, "sidechain_LEU": null, - "chainIndex": 24, + "chainIndex": 47, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.002882288254 + "a4": 112.05322535312 } }, { - "pk": 123, + "pk": 130, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.507821017302, - "psi": -21.8599413640384, - "oldID": "25", - "bg": 36.04, + "a6": 117.428611081065, + "psi": 71.8925425120618, + "oldID": "50", + "bg": 31.66, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 35.6253956890003, + "zeta": 33.9300044948811, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 124, - "sidechain_SER": 4, - "bm": 31.0, + "next": 132, + "sidechain_SER": null, + "bm": 28.0, "xpr": false, - "prev": 122, + "prev": 127, "terminal_flag": false, - "phi": -82.3362765687899, + "phi": -89.0289029588313, "chainID": "A", "sidechain_GLN": null, - "ome": 176.596442203389, - "chi2": null, + "ome": 176.342972272325, + "chi2": 49.199918681216, "chi3": null, - "chi1": -28.4437513785644, + "chi1": -71.4292205788386, "chi4": null, "chi5": null, - "a1": 122.06961250595, - "L4": 1.49913847673873, - "L5": 1.24077817154627, - "L2": 1.47029990888393, - "L3": 1.54897097916684, - "a7": 122.874174705879, - "L1": 1.33818739022579, + "a1": 118.718598090543, + "L4": 1.49796783832931, + "L5": 1.2249025674586, + "L2": 1.42929906254118, + "L3": 1.53012813871795, + "a7": 122.645534499349, + "L1": 1.3389015805839, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 6, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.678199535004, + "ss": "E", + "a3": 109.758719906412, "bs": 34.0, - "a2": 111.678031830022, - "a5": 119.291618078699, + "a2": 111.314063596538, + "a5": 119.925555905897, "sidechain_LEU": null, - "chainIndex": 25, + "chainIndex": 50, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.927016281058 + "a4": 110.35797078569 } }, { - "pk": 124, + "pk": 131, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 114.369419321798, - "psi": -43.8026717905845, - "oldID": "26", - "bg": 29.73, + "a6": 117.50407840861, + "psi": -14.0706384638437, + "oldID": "45", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.224607480762, + "protein": "1MWQ", + "zeta": 35.1786660942069, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 125, + "next": 134, "sidechain_SER": null, - "bm": 31.0, + "bm": 11.0, "xpr": false, - "prev": 123, + "prev": 129, "terminal_flag": false, - "phi": -72.0606204435502, + "phi": -79.9551391504302, "chainID": "A", "sidechain_GLN": null, - "ome": 179.571183123399, - "chi2": 178.953588070205, + "ome": 172.048435633368, + "chi2": null, "chi3": null, - "chi1": -77.8127032999872, + "chi1": null, "chi4": null, "chi5": null, - "a1": 118.240179746309, - "L4": 1.53183093967359, - "L5": 1.25228338901593, - "L2": 1.47338834078524, - "L3": 1.53399456244085, - "a7": 123.635941618021, - "L1": 1.3445122398598, + "a1": 121.953450362377, + "L4": 1.52448937619227, + "L5": 1.23475476730041, + "L2": 1.44061465337346, + "L3": 1.54556369852407, + "a7": 124.235016147814, + "L1": 1.35934710140327, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 105.152624851083, - "bs": 28.0, - "a2": 110.735951183925, - "a5": 121.994562000383, - "sidechain_LEU": 12, - "chainIndex": 26, + "ss": "S", + "a3": 114.511306534436, + "bs": 11.0, + "a2": 109.683060658345, + "a5": 118.167552932675, + "sidechain_LEU": null, + "chainIndex": 48, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.744274735405 + "a4": 108.713909787205 } }, { - "pk": 125, + "pk": 132, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 113.910409516569, - "psi": -61.7242674905626, - "oldID": "27", - "bg": 61.87, + "a6": 118.94169409097, + "psi": 164.705338042072, + "oldID": "51", + "bg": 28.81, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 35.3397166457456, + "zeta": 33.2073945758227, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 126, + "next": 135, "sidechain_SER": null, - "bm": 41.0, + "bm": 30.0, "xpr": false, - "prev": 124, + "prev": 130, "terminal_flag": false, - "phi": -65.4004198851391, + "phi": -63.2996025021376, "chainID": "A", "sidechain_GLN": null, - "ome": -177.631636997495, - "chi2": null, + "ome": -178.897393059564, + "chi2": 73.2010012767023, "chi3": null, - "chi1": 176.347642979233, + "chi1": 53.1666086595233, "chi4": null, "chi5": null, - "a1": 120.14127227674, - "L4": 1.51100063503804, - "L5": 1.24050565167427, - "L2": 1.45888732758106, - "L3": 1.518432946125, - "a7": 124.256353404489, - "L1": 1.33792669524924, + "a1": 118.814955583844, + "L4": 1.56498412989058, + "L5": 1.23423294576723, + "L2": 1.45657560984273, + "L3": 1.5438308246293, + "a7": 120.99245103536, + "L1": 1.33396143872804, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 7, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.086061257605, - "bs": 60.0, - "a2": 112.182628524919, - "a5": 121.694461787475, + "ss": "-", + "a3": 109.297569151594, + "bs": 32.0, + "a2": 109.971677321724, + "a5": 120.055096929249, "sidechain_LEU": null, - "chainIndex": 27, - "sidechain_HIS": 3, + "chainIndex": 51, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.141018127111 + "a4": 112.518677121212 } }, { - "pk": 126, + "pk": 133, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.27103195237, - "psi": -39.3192723072684, - "oldID": "28", - "bg": 48.26, + "a6": 117.346438410053, + "psi": 143.751601170925, + "oldID": "37", + "bg": 27.96, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.1596733492905, + "sidechain_ILE": 8, + "protein": "3CGM", + "zeta": 32.9977513920677, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 127, + "next": 137, "sidechain_SER": null, - "bm": 37.0, + "bm": 29.0, "xpr": false, - "prev": 125, + "prev": 128, "terminal_flag": false, - "phi": -56.5226471548329, + "phi": -58.5893576511319, "chainID": "A", "sidechain_GLN": null, - "ome": -177.244254345478, - "chi2": -154.922356938631, + "ome": -166.802627720002, + "chi2": -179.47226026509, "chi3": null, - "chi1": -145.602161853546, + "chi1": 58.1194626313365, "chi4": null, "chi5": null, - "a1": 121.856194877711, - "L4": 1.50163664144124, - "L5": 1.21039500366266, - "L2": 1.44107677191225, - "L3": 1.52706060872053, - "a7": 122.218084093477, - "L1": 1.32900421604062, + "a1": 122.714861073877, + "L4": 1.53236508182113, + "L5": 1.2313854599647, + "L2": 1.45865078777173, + "L3": 1.54878970345774, + "a7": 121.603394096549, + "L1": 1.33343482551711, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.202164742109, - "bs": 47.0, - "a2": 109.998464601327, - "a5": 119.489485356768, - "sidechain_LEU": 13, - "chainIndex": 28, + "ss": "-", + "a3": 109.402449031057, + "bs": 28.0, + "a2": 111.37924155294, + "a5": 121.024266180108, + "sidechain_LEU": null, + "chainIndex": 37, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.1046725192 + "a4": 111.587243696724 } }, { - "pk": 127, + "pk": 134, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.453465571194, - "psi": -22.4163249160979, - "oldID": "29", - "bg": 0.0, + "a6": 117.794112763366, + "psi": 170.419162967729, + "oldID": "46", + "bg": 12.8, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1MWW", - "zeta": null, + "sidechain_ILE": 9, + "protein": "1MWQ", + "zeta": 32.867860976048, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 128, + "next": 136, "sidechain_SER": null, - "bm": 35.0, + "bm": 9.0, "xpr": false, - "prev": 126, + "prev": 131, "terminal_flag": false, - "phi": -98.1103584624981, + "phi": -125.399288771766, "chainID": "A", "sidechain_GLN": null, - "ome": -177.293185842279, - "chi2": null, + "ome": -175.440235136889, + "chi2": 165.331889644142, "chi3": null, - "chi1": null, + "chi1": 61.5872006841174, "chi4": null, "chi5": null, - "a1": 119.098960877086, - "L4": 1.51120405501761, - "L5": 1.22575970006073, - "L2": 1.45579338832073, - "L3": null, - "a7": 122.635146968018, - "L1": 1.33030266899373, + "a1": 124.297057015387, + "L4": 1.50912442651166, + "L5": 1.25832969796585, + "L2": 1.45439594263758, + "L3": 1.55402602503011, + "a7": 122.147655332233, + "L1": 1.30698984004829, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 120.709444474026, - "bs": 0.0, - "a2": null, - "a5": 119.891440275549, + "ss": "S", + "a3": 107.192055312361, + "bs": 14.0, + "a2": 111.90648206408, + "a5": 120.040906397265, "sidechain_LEU": null, - "chainIndex": 29, + "chainIndex": 49, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 112.211771995039 } }, { - "pk": 128, + "pk": 135, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 6, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.738418496345, - "psi": -12.7914340431519, - "oldID": "30", - "bg": 49.46, + "a6": 115.397136190727, + "psi": 131.678261635829, + "oldID": "52", + "bg": 24.76, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.5005395683296, + "zeta": 35.3001051072062, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 129, + "next": 141, "sidechain_SER": null, - "bm": 47.0, + "bm": 30.0, "xpr": false, - "prev": 127, + "prev": 132, "terminal_flag": false, - "phi": -124.997801853104, + "phi": -55.1568424591037, "chainID": "A", "sidechain_GLN": null, - "ome": 179.501784442072, - "chi2": 58.7693251413289, - "chi3": null, - "chi1": -123.85998737874, - "chi4": null, + "ome": -175.974796778366, + "chi2": 39.4275240936863, + "chi3": -42.1822615171797, + "chi1": -21.0357782654502, + "chi4": 30.1647655742419, "chi5": null, - "a1": 120.935609978364, - "L4": 1.5393092596845, - "L5": 1.22991879704313, - "L2": 1.45412098545792, - "L3": 1.55249036632286, - "a7": 123.114694625226, - "L1": 1.32915245641641, + "a1": 120.567440153695, + "L4": 1.54718716648177, + "L5": 1.2105639566048, + "L2": 1.47499282302599, + "L3": 1.53946324182065, + "a7": 123.668529572916, + "L1": 1.35063767762591, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.325221753783, - "bs": 45.0, - "a2": 109.097028805542, - "a5": 120.139864254454, - "sidechain_LEU": 14, - "chainIndex": 30, + "omep": 8.00645647178681, + "ss": "-", + "a3": 113.16746291181, + "bs": 24.0, + "a2": 103.860621850808, + "a5": 120.9180241987, + "sidechain_LEU": null, + "chainIndex": 52, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.838477902005 + "a4": 114.307773755944 } }, { - "pk": 129, + "pk": 136, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": 7, - "a6": 117.354569823387, - "psi": 26.6415611818269, - "oldID": "31", - "bg": 72.73, + "chain": "1MWQA", + "sidechain_ASP": 6, + "a6": 115.46162848662, + "psi": 68.0242138643115, + "oldID": "47", + "bg": 9.37, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.7393564763653, + "protein": "1MWQ", + "zeta": 32.9749539715628, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 130, + "next": 139, "sidechain_SER": null, - "bm": 61.0, + "bm": 10.0, "xpr": false, - "prev": 128, + "prev": 134, "terminal_flag": false, - "phi": 85.3922251436068, + "phi": -82.2961019781945, "chainID": "A", "sidechain_GLN": null, - "ome": 179.491646638812, - "chi2": -35.7006894876597, + "ome": -175.24323891199, + "chi2": 23.9226335991624, "chi3": null, - "chi1": -67.2540959640678, + "chi1": -169.669783554558, "chi4": null, "chi5": null, - "a1": 121.983142867643, - "L4": 1.51229702280616, - "L5": 1.22444747716249, - "L2": 1.45190146765145, - "L3": 1.52470925458658, - "a7": 122.582660931326, - "L1": 1.33575036707537, + "a1": 122.470355978016, + "L4": 1.53794167225891, + "L5": 1.23327975236232, + "L2": 1.46022274980117, + "L3": 1.51208372637881, + "a7": 124.413346986645, + "L1": 1.31932537193523, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.725202278073, - "bs": 73.0, - "a2": 110.646817204935, - "a5": 120.062768695765, + "ss": "S", + "a3": 110.983309838038, + "bs": 9.0, + "a2": 109.535102632151, + "a5": 120.104561764311, "sidechain_LEU": null, - "chainIndex": 31, + "chainIndex": 50, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.663833801628 + "a4": 112.472910897027 } }, { - "pk": 130, + "pk": 137, "model": "pgd_core.residue", "fields": { - "aa": "i", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 7, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.183526734058, - "psi": 120.548168154671, - "oldID": "32", - "bg": 39.02, + "a6": 117.304643714336, + "psi": -37.5596078811269, + "oldID": "38", + "bg": 30.14, "sidechain_CYS": null, - "sidechain_ILE": 8, - "protein": "1MWW", - "zeta": 33.897498059832, + "sidechain_ILE": null, + "protein": "3CGM", + "zeta": 38.7250671778184, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 131, + "next": 138, "sidechain_SER": null, - "bm": 46.0, + "bm": 29.0, "xpr": false, - "prev": 129, + "prev": 133, "terminal_flag": false, - "phi": -101.148534806992, + "phi": -61.1783621359729, "chainID": "A", "sidechain_GLN": null, - "ome": -179.456523523917, - "chi2": -44.5918832508755, - "chi3": null, - "chi1": -40.5623884186461, - "chi4": null, + "ome": -175.472116375832, + "chi2": 27.4917114317596, + "chi3": -26.5914328100145, + "chi1": -16.6298483425203, + "chi4": 16.607037173101, "chi5": null, - "a1": 119.9359855639, - "L4": 1.53477638341106, - "L5": 1.23083177184694, - "L2": 1.4429921180642, - "L3": 1.58353426958808, - "a7": 122.448254955771, - "L1": 1.32741942643656, + "a1": 117.875597203036, + "L4": 1.52823282107284, + "L5": 1.23532935803324, + "L2": 1.46821468016998, + "L3": 1.52534237463595, + "a7": 122.573818074885, + "L1": 1.33363373314982, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 104.849395230339, - "bs": 39.0, - "a2": 112.023025705422, - "a5": 120.36721830585, + "omep": 13.5855420968609, + "ss": "H", + "a3": 111.923805707917, + "bs": 30.0, + "a2": 103.375634456296, + "a5": 120.118867738323, "sidechain_LEU": null, - "chainIndex": 32, + "chainIndex": 38, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.537447371349 + "a4": 110.269792974898 } }, { - "pk": 131, + "pk": 138, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 8, + "aa": "g", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.610044984436, - "psi": 138.254232266776, - "oldID": "33", - "bg": 31.98, + "a6": 116.851628096519, + "psi": -33.5077469269349, + "oldID": "39", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 37.5325323741808, + "protein": "3CGM", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 132, + "next": 140, "sidechain_SER": null, - "bm": 42.0, + "bm": 27.0, "xpr": false, - "prev": 130, + "prev": 137, "terminal_flag": false, - "phi": -53.0525914571434, + "phi": -66.8661847836785, "chainID": "A", "sidechain_GLN": null, - "ome": 178.760753261744, - "chi2": 43.0057757314873, - "chi3": -39.252575573959, - "chi1": -30.4843434176897, - "chi4": 20.2244538033196, + "ome": 174.834429170867, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 129.098415284079, - "L4": 1.51524304803893, - "L5": 1.22517399224772, - "L2": 1.46019272520694, - "L3": 1.55362867607153, - "a7": 122.5646175756, - "L1": 1.35287659891405, + "a1": 120.957652200261, + "L4": 1.5257413246462, + "L5": 1.22379417684151, + "L2": 1.44873631082194, + "L3": null, + "a7": 122.487384068458, + "L1": 1.33265737764718, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -1.42637789031519, - "ss": "-", - "a3": 117.358699029893, - "bs": 38.0, - "a2": 103.128670755505, - "a5": 120.753566134191, + "omep": null, + "ss": "H", + "a3": 115.319480378367, + "bs": 0.0, + "a2": null, + "a5": 120.620496074155, "sidechain_LEU": null, - "chainIndex": 33, + "chainIndex": 39, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.361755471211 + "a4": null } }, { - "pk": 132, + "pk": 139, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": null, - "a6": 117.684341409068, - "psi": 92.778658121698, - "oldID": "34", - "bg": 59.57, + "chain": "1MWQA", + "sidechain_ASP": 7, + "a6": 117.751119437022, + "psi": 128.143948859388, + "oldID": "48", + "bg": 14.47, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.4122072117436, + "protein": "1MWQ", + "zeta": 35.301494617985, "sidechain_PHE": null, - "sidechain_LYS": 10, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 133, + "next": 142, "sidechain_SER": null, - "bm": 49.0, + "bm": 11.0, "xpr": false, - "prev": 131, + "prev": 136, "terminal_flag": false, - "phi": -47.9844746612255, + "phi": -158.470735531098, "chainID": "A", "sidechain_GLN": null, - "ome": 177.386014691657, - "chi2": 74.4465611682863, - "chi3": 141.195037660352, - "chi1": -76.5289671523924, - "chi4": 58.7216343696902, + "ome": 177.584670448994, + "chi2": -29.6675050865794, + "chi3": null, + "chi1": -164.937771159551, + "chi4": null, "chi5": null, - "a1": 119.330399070084, - "L4": 1.53194254548089, - "L5": 1.2338268058368, - "L2": 1.45772004875794, - "L3": 1.53468148043222, - "a7": 123.252343757609, - "L1": 1.33057580949236, + "a1": 123.191496497019, + "L4": 1.5160295571124, + "L5": 1.21974020851922, + "L2": 1.45679069015674, + "L3": 1.53209510819183, + "a7": 123.644337893716, + "L1": 1.31806086058738, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.576293694655, - "bs": 59.0, - "a2": 112.174323952302, - "a5": 119.056452037563, + "ss": "S", + "a3": 107.963935075535, + "bs": 15.0, + "a2": 109.965141191357, + "a5": 118.603283559616, "sidechain_LEU": null, - "chainIndex": 34, + "chainIndex": 51, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.881186620908 + "a4": 109.928789220028 } }, { - "pk": 133, + "pk": 140, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.170941498595, - "psi": 5.40810721658456, - "oldID": "35", - "bg": 0.0, + "a6": 117.573471294966, + "psi": -42.2805544138032, + "oldID": "40", + "bg": 24.95, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": null, + "protein": "3CGM", + "zeta": 33.2447413894745, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 134, + "next": 143, "sidechain_SER": null, - "bm": 43.0, + "bm": 26.0, "xpr": false, - "prev": 132, + "prev": 138, "terminal_flag": false, - "phi": 118.509198765538, + "phi": -69.7799486329558, "chainID": "A", "sidechain_GLN": null, - "ome": 178.98813801407, - "chi2": null, + "ome": 173.849086114847, + "chi2": 56.4381469198974, "chi3": null, - "chi1": null, + "chi1": -179.81546906348, "chi4": null, "chi5": null, - "a1": 121.494323918613, - "L4": 1.52511318283819, - "L5": 1.21892552977872, - "L2": 1.46542658368041, - "L3": null, - "a7": 121.407791051588, - "L1": 1.3460087547757, + "a1": 121.562500623334, + "L4": 1.56124533214877, + "L5": 1.23976307028818, + "L2": 1.4546665089648, + "L3": 1.54129440767647, + "a7": 121.354489595637, + "L1": 1.32584754776627, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 121.091045053772, - "bs": 0.0, - "a2": null, - "a5": 120.409656629747, - "sidechain_LEU": null, - "chainIndex": 35, + "ss": "H", + "a3": 110.005163807677, + "bs": 23.0, + "a2": 110.299139106304, + "a5": 121.044933690803, + "sidechain_LEU": 21, + "chainIndex": 40, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 111.905498780925 } }, { - "pk": 134, + "pk": 141, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 114.423832169113, - "psi": -13.0038693211789, - "oldID": "36", - "bg": 40.37, + "a6": 113.705319442388, + "psi": -43.3141935699735, + "oldID": "53", + "bg": 52.96, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 36.0218014640329, - "sidechain_PHE": null, - "sidechain_LYS": 11, + "zeta": 35.4550871116088, + "sidechain_PHE": 5, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 135, + "next": 144, "sidechain_SER": null, - "bm": 35.0, + "bm": 34.0, "xpr": false, - "prev": 133, + "prev": 135, "terminal_flag": false, - "phi": -81.3723296172773, + "phi": -33.3806847718929, "chainID": "A", "sidechain_GLN": null, - "ome": -178.086141472439, - "chi2": 145.772277062557, - "chi3": -88.8159591875505, - "chi1": 160.043425826251, - "chi4": 136.967160504271, + "ome": -173.612385022979, + "chi2": -15.1831901024001, + "chi3": null, + "chi1": -62.0591643410021, + "chi4": null, "chi5": null, - "a1": 122.614399578856, - "L4": 1.54480353155821, - "L5": 1.25008082175694, - "L2": 1.44371474836935, - "L3": 1.51695720869326, - "a7": 123.504717747899, - "L1": 1.31284347410412, + "a1": 124.380237133522, + "L4": 1.50574645772475, + "L5": 1.2467821250438, + "L2": 1.46182369051474, + "L3": 1.530284195691, + "a7": 124.735860161807, + "L1": 1.33092880486371, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.929347938009, - "bs": 37.0, - "a2": 107.676520295431, - "a5": 122.015742801965, + "ss": "T", + "a3": 120.060028794191, + "bs": 54.0, + "a2": 110.073135116401, + "a5": 121.540514354843, "sidechain_LEU": null, - "chainIndex": 36, + "chainIndex": 53, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.611874223094 + "a4": 105.916466034858 } }, { - "pk": 135, + "pk": 142, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.868848618254, - "psi": 137.386976965226, - "oldID": "37", - "bg": 36.71, + "a6": 116.639206148886, + "psi": -23.7397787873668, + "oldID": "49", + "bg": 24.26, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.8601770396505, + "protein": "1MWQ", + "zeta": 35.5512091278032, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 136, + "next": 145, "sidechain_SER": null, - "bm": 32.0, + "bm": 15.0, "xpr": false, - "prev": 134, + "prev": 139, "terminal_flag": false, - "phi": -110.673268285669, + "phi": -61.7947397045684, "chainID": "A", "sidechain_GLN": null, - "ome": 175.753869126118, - "chi2": null, - "chi3": null, - "chi1": -116.2960075539, + "ome": 177.95083820962, + "chi2": -160.436319427022, + "chi3": -18.9923806013173, + "chi1": -68.2728908355678, "chi4": null, "chi5": null, - "a1": 122.237561965645, - "L4": 1.48179587750636, - "L5": 1.23458437288436, - "L2": 1.44807302895981, - "L3": 1.51918927532019, - "a7": 123.116247675773, - "L1": 1.33073547555188, + "a1": 118.622265102338, + "L4": 1.51756054203262, + "L5": 1.22254404041946, + "L2": 1.48285906297719, + "L3": 1.52292105610064, + "a7": 124.712279372184, + "L1": 1.3143796608728, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 11, "omep": null, "ss": "S", - "a3": 117.230039708821, - "bs": 38.0, - "a2": 110.032861403734, - "a5": 121.014038693723, + "a3": 113.012539398969, + "bs": 29.0, + "a2": 109.132239365543, + "a5": 118.556158920404, "sidechain_LEU": null, - "chainIndex": 37, - "sidechain_HIS": 4, + "chainIndex": 52, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.507088830454 + "a4": 108.746315475107 } }, { - "pk": 136, + "pk": 143, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.441678863515, - "psi": 136.9847243593, - "oldID": "38", - "bg": 0.0, + "a6": 116.87544228435, + "psi": -37.1783416880655, + "oldID": "41", + "bg": 28.74, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.3398527563363, + "protein": "3CGM", + "zeta": 33.1120509386593, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 137, + "next": 146, "sidechain_SER": null, - "bm": 18.0, + "bm": 26.0, "xpr": false, - "prev": 135, + "prev": 140, "terminal_flag": false, - "phi": -75.7911801296508, + "phi": -60.7664629754109, "chainID": "A", "sidechain_GLN": null, - "ome": 177.179540034417, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -178.688675882478, + "chi2": -154.693304540477, + "chi3": 17.3221064138269, + "chi1": -69.9637236135948, "chi4": null, "chi5": null, - "a1": 119.798287304493, - "L4": 1.56196274492239, - "L5": 1.2515261941597, - "L2": 1.44997926885119, - "L3": 1.53227890848407, - "a7": 121.504441790024, - "L1": 1.32321875406183, + "a1": 119.57046158633, + "L4": 1.52678734486611, + "L5": 1.24368505552407, + "L2": 1.4674548454997, + "L3": 1.53667752870179, + "a7": 123.041852866455, + "L1": 1.32999519936756, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 12, "omep": null, - "ss": "-", - "a3": 108.613790497125, - "bs": 15.0, - "a2": 109.381472361411, - "a5": 120.053778940356, + "ss": "H", + "a3": 109.953417842788, + "bs": 29.0, + "a2": 112.435682554748, + "a5": 120.062821220934, "sidechain_LEU": null, - "chainIndex": 38, + "chainIndex": 41, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.062389438502 + "a4": 109.999177147112 } }, { - "pk": 137, + "pk": 144, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", - "sidechain_ASP": null, - "a6": 115.688997301986, - "psi": 130.329987816391, - "oldID": "39", - "bg": 22.2, + "sidechain_ASP": 8, + "a6": 117.272952729066, + "psi": 27.9551840947109, + "oldID": "54", + "bg": 43.82, "sidechain_CYS": null, - "sidechain_ILE": 9, + "sidechain_ILE": null, "protein": "1MWW", - "zeta": 35.5556004891431, + "zeta": 37.8139753367309, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 138, + "next": 150, "sidechain_SER": null, - "bm": 24.0, + "bm": 33.0, "xpr": false, - "prev": 136, + "prev": 141, "terminal_flag": false, - "phi": -131.073017477665, + "phi": -100.196042245451, "chainID": "A", "sidechain_GLN": null, - "ome": 179.725273368697, - "chi2": -52.3792064968378, + "ome": 178.691321804425, + "chi2": -33.3173933529891, "chi3": null, - "chi1": -53.6605869439738, + "chi1": 72.4467588053272, "chi4": null, "chi5": null, - "a1": 119.379380164263, - "L4": 1.51070529251605, - "L5": 1.23525506710716, - "L2": 1.45749503190895, - "L3": 1.5722285383733, - "a7": 123.322956164301, - "L1": 1.32376178832276, + "a1": 123.746087666355, + "L4": 1.51708347767224, + "L5": 1.25408916813474, + "L2": 1.43771881471663, + "L3": 1.51780702905676, + "a7": 122.92590366915, + "L1": 1.31789785096327, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.485388552944, - "bs": 24.0, - "a2": 116.40283982669, - "a5": 120.95135449829, + "ss": "T", + "a3": 112.461704487884, + "bs": 43.0, + "a2": 108.92672630383, + "a5": 119.756180055111, "sidechain_LEU": null, - "chainIndex": 39, + "chainIndex": 54, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 103.94180979338 + "a4": 106.125267766713 } }, { - "pk": 138, + "pk": 145, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1MWWA", + "sidechain_ASN": 6, + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.278089619153, - "psi": 148.70275577471, - "oldID": "40", - "bg": 25.58, + "a6": 117.754577665229, + "psi": 83.7279346786224, + "oldID": "50", + "bg": 15.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.815616475078, + "protein": "1MWQ", + "zeta": 32.9548472005666, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 139, + "next": 148, "sidechain_SER": null, - "bm": 21.0, + "bm": 12.0, "xpr": false, - "prev": 137, + "prev": 142, "terminal_flag": false, - "phi": -119.929540094156, + "phi": -116.779559082915, "chainID": "A", "sidechain_GLN": null, - "ome": -178.881742396889, - "chi2": -177.696717479378, - "chi3": 91.5864745468059, - "chi1": 162.769897602588, - "chi4": 91.481905094729, - "chi5": -3.35645378616786, - "a1": 120.362130099979, - "L4": 1.51958164237054, - "L5": 1.24058562973821, - "L2": 1.42751694982235, - "L3": 1.54025001634627, - "a7": 123.751653262693, - "L1": 1.32934104563234, - "sidechain_ARG": 7, + "ome": -169.987525549341, + "chi2": -52.3126997552474, + "chi3": null, + "chi1": -63.5615023161523, + "chi4": null, + "chi5": null, + "a1": 123.874586165169, + "L4": 1.51682064927483, + "L5": 1.2340201453508, + "L2": 1.45594123506935, + "L3": 1.51351587638702, + "a7": 123.369429821692, + "L1": 1.33494572744174, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.889678764412, - "bs": 22.0, - "a2": 107.459211333229, - "a5": 120.870578044742, + "ss": "S", + "a3": 107.3890441126, + "bs": 17.0, + "a2": 112.209741981688, + "a5": 118.671013681107, "sidechain_LEU": null, - "chainIndex": 40, + "chainIndex": 53, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.471604700421 + "a4": 111.157404741491 } }, { - "pk": 139, + "pk": 146, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 114.804803188624, - "psi": 130.476771820212, - "oldID": "41", - "bg": 22.67, + "a6": 116.424377958435, + "psi": -34.6180121844706, + "oldID": "42", + "bg": 27.22, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.5314885583859, - "sidechain_PHE": 7, + "protein": "3CGM", + "zeta": 32.5534855275649, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 140, + "next": 147, "sidechain_SER": null, - "bm": 21.0, + "bm": 27.0, "xpr": false, - "prev": 138, + "prev": 143, "terminal_flag": false, - "phi": -121.124303021238, + "phi": -65.5513113026846, "chainID": "A", "sidechain_GLN": null, - "ome": 176.944338013157, - "chi2": -81.1192610564456, - "chi3": null, - "chi1": -72.7645513168081, + "ome": -178.635090123967, + "chi2": -179.939310008776, + "chi3": -1.5835714497191, + "chi1": -178.740949632348, "chi4": null, "chi5": null, - "a1": 122.674376814136, - "L4": 1.5111249462808, - "L5": 1.24574345266216, - "L2": 1.4588665863605, - "L3": 1.56243147772663, - "a7": 122.989549923674, - "L1": 1.32423434963954, + "a1": 120.32607645349, + "L4": 1.5095552910255, + "L5": 1.24052440193553, + "L2": 1.45879238343519, + "L3": 1.53876604781602, + "a7": 122.547032117655, + "L1": 1.33481603601808, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 13, "omep": null, - "ss": "E", - "a3": 107.108139746031, - "bs": 20.0, - "a2": 111.522026730538, - "a5": 122.183197479977, + "ss": "H", + "a3": 110.276134521782, + "bs": 29.0, + "a2": 112.59494281941, + "a5": 121.018792731008, "sidechain_LEU": null, - "chainIndex": 41, + "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.627939488289 + "a4": 110.692138491832 } }, { - "pk": 140, + "pk": 147, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.60790660378, - "psi": 110.019910895495, - "oldID": "42", - "bg": 30.43, + "a6": 116.470178790814, + "psi": -27.9784848823701, + "oldID": "43", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.9333812443274, + "protein": "3CGM", + "zeta": 33.1319483606099, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 141, + "next": 149, "sidechain_SER": null, - "bm": 24.0, + "bm": 27.0, "xpr": false, - "prev": 139, + "prev": 146, "terminal_flag": false, - "phi": -118.995599554277, + "phi": -76.7736229153831, "chainID": "A", "sidechain_GLN": null, - "ome": 179.002090323324, - "chi2": -94.5743909383426, + "ome": 178.897463953846, + "chi2": null, "chi3": null, - "chi1": -168.572270972017, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.775246926159, - "L4": 1.54246320945896, - "L5": 1.23058885782904, - "L2": 1.45602439717682, - "L3": 1.52511480899216, - "a7": 124.13088731769, - "L1": 1.31705463937408, + "a1": 118.424336131038, + "L4": 1.51152486155093, + "L5": 1.23767041956488, + "L2": 1.4752152451671, + "L3": 1.54532588852048, + "a7": 123.733569408208, + "L1": 1.32450594047069, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.456766883665, - "bs": 30.0, - "a2": 109.028276282545, - "a5": 119.261201216514, - "sidechain_LEU": 15, - "chainIndex": 42, + "ss": "H", + "a3": 109.745168347669, + "bs": 28.0, + "a2": 112.145931706545, + "a5": 119.787903051201, + "sidechain_LEU": null, + "chainIndex": 43, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.189628250067 + "a4": 110.476848911245 } }, { - "pk": 141, + "pk": 148, "model": "pgd_core.residue", "fields": { - "aa": "c", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 8, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.869937840443, - "psi": 116.542770753798, - "oldID": "43", - "bg": 38.76, - "sidechain_CYS": 1, + "a6": 116.108480680106, + "psi": -0.0333279397901507, + "oldID": "51", + "bg": 12.62, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.1226336820264, + "protein": "1MWQ", + "zeta": 38.9573474239199, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 142, + "next": 151, "sidechain_SER": null, - "bm": 30.0, + "bm": 10.0, "xpr": false, - "prev": 140, + "prev": 145, "terminal_flag": false, - "phi": -89.0579590772686, + "phi": -79.4540628172129, "chainID": "A", "sidechain_GLN": null, - "ome": -177.405157020411, - "chi2": null, - "chi3": null, - "chi1": -63.7566414370903, - "chi4": null, + "ome": 179.177012770505, + "chi2": -40.4722777445643, + "chi3": 32.9436628093396, + "chi1": 31.8868361534846, + "chi4": -12.6190409361507, "chi5": null, - "a1": 124.949643453778, - "L4": 1.50782157542647, - "L5": 1.23072658453268, - "L2": 1.4754342355321, - "L3": 1.54083218472169, - "a7": 122.653608902882, - "L1": 1.34042819361944, + "a1": 120.545783940913, + "L4": 1.52266083038691, + "L5": 1.24091196823549, + "L2": 1.48445574665596, + "L3": 1.54439636236199, + "a7": 124.494191071545, + "L1": 1.34354477644599, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.540437053995, - "bs": 33.0, - "a2": 110.373434788805, - "a5": 121.473791244109, + "omep": 1.23338919561376, + "ss": "-", + "a3": 115.236150323363, + "bs": 12.0, + "a2": 102.487305797762, + "a5": 119.394499462217, "sidechain_LEU": null, - "chainIndex": 43, + "chainIndex": 54, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.673305653325 + "a4": 110.344711612191 } }, { - "pk": 142, + "pk": 149, "model": "pgd_core.residue", "fields": { "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.890569838348, - "psi": 147.176621773648, + "a6": 116.407625005209, + "psi": -25.8729438522599, "oldID": "44", - "bg": 20.9, + "bg": 25.96, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 36.1323720230175, + "protein": "3CGM", + "zeta": 33.3060461842609, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 143, + "next": 152, "sidechain_SER": null, - "bm": 29.0, + "bm": 26.0, "xpr": false, - "prev": 141, + "prev": 147, "terminal_flag": false, - "phi": -91.8560455195085, + "phi": -78.0817604288222, "chainID": "A", "sidechain_GLN": null, - "ome": 174.689295309382, - "chi2": 157.536141518262, + "ome": -171.490754019727, + "chi2": 149.170654350864, "chi3": null, - "chi1": -59.9763318197375, + "chi1": -77.1847916906795, "chi4": null, "chi5": null, - "a1": 120.466484630322, - "L4": 1.52547659800974, - "L5": 1.24947490638552, - "L2": 1.44163343430628, - "L3": 1.53700115543431, - "a7": 124.217664277655, - "L1": 1.31547686431805, + "a1": 120.364861230757, + "L4": 1.52086637775471, + "L5": 1.22607369903258, + "L2": 1.46045860763924, + "L3": 1.5154576230537, + "a7": 122.923410425951, + "L1": 1.33372331744847, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.212272705877, - "bs": 21.0, - "a2": 107.968923858655, - "a5": 119.879008595752, - "sidechain_LEU": 16, + "ss": "H", + "a3": 112.58648638079, + "bs": 24.0, + "a2": 112.029096884305, + "a5": 120.645224664176, + "sidechain_LEU": 22, "chainIndex": 44, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.443297528351 + "a4": 109.071169376617 } }, { - "pk": 143, + "pk": 150, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.833308575944, - "psi": 152.929601545324, - "oldID": "45", - "bg": 51.75, + "a6": 116.322991138504, + "psi": -179.124437548428, + "oldID": "55", + "bg": 38.79, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 36.1262527295263, + "zeta": 34.7556748225689, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 144, + "next": 157, "sidechain_SER": null, - "bm": 37.0, + "bm": 36.0, "xpr": false, - "prev": 142, + "prev": 144, "terminal_flag": false, - "phi": -84.3439861577917, + "phi": -115.782433042592, "chainID": "A", "sidechain_GLN": null, - "ome": -177.76705802449, - "chi2": -53.310564630965, - "chi3": -21.9834606303986, - "chi1": -70.6596652757155, - "chi4": null, - "chi5": null, - "a1": 122.185198505711, - "L4": 1.54014254628281, - "L5": 1.22282884491761, - "L2": 1.47434299347436, - "L3": 1.52818642355849, - "a7": 121.907308178969, - "L1": 1.33294380745523, - "sidechain_ARG": null, + "ome": 179.773046018868, + "chi2": -92.820959126363, + "chi3": 109.685734374567, + "chi1": -60.9992261507037, + "chi4": -82.2249861808551, + "chi5": 0.851065925244317, + "a1": 119.469142625549, + "L4": 1.52184050459452, + "L5": 1.24507720926593, + "L2": 1.46422527954353, + "L3": 1.52044024384529, + "a7": 121.022971293514, + "L1": 1.32697917341636, + "sidechain_ARG": 10, "sidechain_TYR": null, - "sidechain_GLU": 10, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 100.508577003394, - "bs": 50.0, - "a2": 112.175849410629, - "a5": 119.255475370003, + "ss": "S", + "a3": 107.388259744016, + "bs": 45.0, + "a2": 110.219221772956, + "a5": 122.636417800907, "sidechain_LEU": null, - "chainIndex": 45, + "chainIndex": 55, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.419109730953 + "a4": 110.411256503942 } }, { - "pk": 144, + "pk": 151, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.052539785168, - "psi": -36.4259751251777, - "oldID": "46", - "bg": 52.28, + "a6": 119.060167309764, + "psi": -136.875465411514, + "oldID": "52", + "bg": 23.91, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.4277285022388, + "protein": "1MWQ", + "zeta": 32.224532303132, "sidechain_PHE": null, - "sidechain_LYS": 12, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 145, - "sidechain_SER": null, - "bm": 38.0, + "next": 153, + "sidechain_SER": 4, + "bm": 12.0, "xpr": false, - "prev": 143, + "prev": 148, "terminal_flag": false, - "phi": -54.2725772528623, + "phi": 54.8052447324318, "chainID": "A", "sidechain_GLN": null, - "ome": -178.092574444686, - "chi2": 176.72751150803, - "chi3": 173.602054552732, - "chi1": -99.7759653799632, - "chi4": -51.5232885076165, + "ome": -171.349733911806, + "chi2": null, + "chi3": null, + "chi1": -48.0902052620458, + "chi4": null, "chi5": null, - "a1": 120.128337237176, - "L4": 1.50224941664217, - "L5": 1.2420955832677, - "L2": 1.46511759818485, - "L3": 1.52217791572883, - "a7": 123.445944037302, - "L1": 1.32960374819268, + "a1": 120.982226194598, + "L4": 1.51498868511789, + "L5": 1.26615414424412, + "L2": 1.45771084126898, + "L3": 1.55985809601453, + "a7": 118.604322096177, + "L1": 1.32759381256284, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "G", - "a3": 115.506631065872, - "bs": 48.0, - "a2": 110.72055047898, - "a5": 120.463591614247, + "a3": 110.31644663167, + "bs": 20.0, + "a2": 109.087256463717, + "a5": 122.326706409079, "sidechain_LEU": null, - "chainIndex": 46, + "chainIndex": 55, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.327065315151 + "a4": 114.835229396006 } }, { - "pk": 145, + "pk": 152, "model": "pgd_core.residue", "fields": { "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.17196000851, - "psi": -13.6367373441947, - "oldID": "47", - "bg": 54.52, + "a6": 117.741783711205, + "psi": 130.599724973157, + "oldID": "45", + "bg": 35.21, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.409126875779, + "protein": "3CGM", + "zeta": 35.5860007789251, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 146, + "next": 154, "sidechain_SER": null, - "bm": 42.0, + "bm": 29.0, "xpr": false, - "prev": 144, + "prev": 149, "terminal_flag": false, - "phi": -69.2552805659234, + "phi": -53.4504196380063, "chainID": "A", "sidechain_GLN": null, - "ome": -179.033090724136, - "chi2": 74.8139649072609, - "chi3": 38.8555771431623, - "chi1": -56.7582368957212, + "ome": 174.046424224976, + "chi2": 71.1937302040803, + "chi3": 13.4799378541704, + "chi1": 175.700120939051, "chi4": null, "chi5": null, - "a1": 119.954375000313, - "L4": 1.50855831478853, - "L5": 1.21998580668165, - "L2": 1.46237709872365, - "L3": 1.51850501517185, - "a7": 122.992194750423, - "L1": 1.32930361349432, + "a1": 122.140295070962, + "L4": 1.53302209161953, + "L5": 1.23367684321074, + "L2": 1.44420430943269, + "L3": 1.53201940164548, + "a7": 122.193013104673, + "L1": 1.32156043287561, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 11, + "sidechain_GLU": 14, "omep": null, - "ss": "G", - "a3": 115.1470225371, - "bs": 55.0, - "a2": 110.211189497061, - "a5": 119.832189130595, + "ss": "T", + "a3": 109.885210836525, + "bs": 35.0, + "a2": 108.912530420433, + "a5": 120.062966094465, "sidechain_LEU": null, - "chainIndex": 47, + "chainIndex": 45, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.651097572853 + "a4": 110.05100236466 } }, { - "pk": 146, + "pk": 153, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": 8, - "a6": 117.661368441835, - "psi": -3.96902781009201, - "oldID": "48", - "bg": 32.27, + "chain": "1MWQA", + "sidechain_ASP": null, + "a6": 119.375049838254, + "psi": -18.1692468311746, + "oldID": "53", + "bg": 23.94, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.6572780158272, + "protein": "1MWQ", + "zeta": 36.6659806192884, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 147, + "next": 155, "sidechain_SER": null, - "bm": 34.0, + "bm": 14.0, "xpr": false, - "prev": 145, + "prev": 151, "terminal_flag": false, - "phi": -102.069500319339, + "phi": -68.7164560368377, "chainID": "A", "sidechain_GLN": null, - "ome": -175.662988316231, - "chi2": -42.5445985743858, - "chi3": null, - "chi1": -69.6522459137458, + "ome": 176.390208107126, + "chi2": 90.9620842385506, + "chi3": -6.04878545549272, + "chi1": -68.541703240642, "chi4": null, "chi5": null, - "a1": 121.405139911953, - "L4": 1.52119516775121, - "L5": 1.23341491335974, - "L2": 1.45390717472757, - "L3": 1.5138767177431, - "a7": 122.615826473174, - "L1": 1.3321387548322, + "a1": 121.519302487449, + "L4": 1.51830498725931, + "L5": 1.23061030511463, + "L2": 1.45573516981868, + "L3": 1.53337651875825, + "a7": 122.599972772505, + "L1": 1.33526778835416, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 15, "omep": null, "ss": "G", - "a3": 114.490224408986, - "bs": 29.0, - "a2": 109.941402649699, - "a5": 119.707050106548, + "a3": 111.168231820904, + "bs": 26.0, + "a2": 109.187628009705, + "a5": 118.022021613527, "sidechain_LEU": null, - "chainIndex": 48, + "chainIndex": 56, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.404287824848 + "a4": 107.890700324472 } }, { - "pk": 147, + "pk": 154, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.005672163555, - "psi": 90.679096610937, - "oldID": "49", - "bg": 27.89, + "a6": 118.169294593008, + "psi": -7.0521357138039, + "oldID": "46", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.761432321937, - "sidechain_PHE": 8, + "protein": "3CGM", + "zeta": null, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 148, + "next": 156, "sidechain_SER": null, - "bm": 30.0, + "bm": 28.0, "xpr": false, - "prev": 146, + "prev": 152, "terminal_flag": false, - "phi": -116.778151755324, + "phi": 82.7332136757267, "chainID": "A", "sidechain_GLN": null, - "ome": 178.254384524327, - "chi2": 20.2936222136142, + "ome": -177.648617474182, + "chi2": null, "chi3": null, - "chi1": -160.085573421048, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.638425078158, - "L4": 1.54076729824479, - "L5": 1.2205902595724, - "L2": 1.47896745454395, - "L3": 1.53923492984048, - "a7": 121.726802648064, - "L1": 1.33462597254359, + "a1": 120.618027895399, + "L4": 1.5274159441209, + "L5": 1.22119579309542, + "L2": 1.46829238449553, + "L3": null, + "a7": 122.075405490318, + "L1": 1.32986121401171, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 118.143756822955, - "bs": 25.0, - "a2": 108.454185954784, - "a5": 120.250326456166, + "ss": "T", + "a3": 115.520872526545, + "bs": 0.0, + "a2": null, + "a5": 119.687272334089, "sidechain_LEU": null, - "chainIndex": 49, + "chainIndex": 46, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.903596770417 + "a4": null } }, { - "pk": 148, + "pk": 155, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.428611081065, - "psi": 71.8925425120618, - "oldID": "50", - "bg": 31.66, + "a6": 116.996970210663, + "psi": -26.1765352907433, + "oldID": "54", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.9300044948811, + "protein": "1MWQ", + "zeta": 33.2030029058758, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 149, + "next": 158, "sidechain_SER": null, - "bm": 28.0, + "bm": 11.0, "xpr": false, - "prev": 147, + "prev": 153, "terminal_flag": false, - "phi": -89.0289029588313, + "phi": -64.0498517251987, "chainID": "A", "sidechain_GLN": null, - "ome": 176.342972272325, - "chi2": 49.199918681216, + "ome": 175.360522228327, + "chi2": null, "chi3": null, - "chi1": -71.4292205788386, + "chi1": null, "chi4": null, "chi5": null, - "a1": 118.718598090543, - "L4": 1.49796783832931, - "L5": 1.2249025674586, - "L2": 1.42929906254118, - "L3": 1.53012813871795, - "a7": 122.645534499349, - "L1": 1.3389015805839, + "a1": 120.25650425426, + "L4": 1.54099186172706, + "L5": 1.22469613512302, + "L2": 1.47542970593195, + "L3": 1.51912324701695, + "a7": 123.763730416243, + "L1": 1.34287237563667, "sidechain_ARG": null, - "sidechain_TYR": 6, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.758719906412, - "bs": 34.0, - "a2": 111.314063596538, - "a5": 119.925555905897, + "ss": "G", + "a3": 111.193171980909, + "bs": 13.0, + "a2": 111.857400087011, + "a5": 119.186830399155, "sidechain_LEU": null, - "chainIndex": 50, + "chainIndex": 57, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.35797078569 + "a4": 109.709451807859 } }, { - "pk": 149, + "pk": 156, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.94169409097, - "psi": 164.705338042072, - "oldID": "51", - "bg": 28.81, + "a6": 117.189631275484, + "psi": 147.781806947958, + "oldID": "47", + "bg": 31.81, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.2073945758227, + "protein": "3CGM", + "zeta": 32.9360182473153, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 150, + "next": 162, "sidechain_SER": null, - "bm": 30.0, + "bm": 29.0, "xpr": false, - "prev": 148, + "prev": 154, "terminal_flag": false, - "phi": -63.2996025021376, + "phi": -76.8151505084815, "chainID": "A", "sidechain_GLN": null, - "ome": -178.897393059564, - "chi2": 73.2010012767023, - "chi3": null, - "chi1": 53.1666086595233, - "chi4": null, - "chi5": null, - "a1": 118.814955583844, - "L4": 1.56498412989058, - "L5": 1.23423294576723, - "L2": 1.45657560984273, - "L3": 1.5438308246293, - "a7": 120.99245103536, - "L1": 1.33396143872804, - "sidechain_ARG": null, - "sidechain_TYR": 7, + "ome": 179.674922905114, + "chi2": -150.624192181929, + "chi3": -175.56108080082, + "chi1": -63.1196822882642, + "chi4": -109.788008129065, + "chi5": 2.42522374747508, + "a1": 120.608368912896, + "L4": 1.5262414583091, + "L5": 1.22742341473995, + "L2": 1.46622140541179, + "L3": 1.52978214648388, + "a7": 122.808302099087, + "L1": 1.34009165054764, + "sidechain_ARG": 11, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.297569151594, - "bs": 32.0, - "a2": 109.971677321724, - "a5": 120.055096929249, + "a3": 113.939840612565, + "bs": 31.0, + "a2": 110.583409844065, + "a5": 119.998325791177, "sidechain_LEU": null, - "chainIndex": 51, + "chainIndex": 47, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.518677121212 + "a4": 110.636683419762 } }, { - "pk": 150, + "pk": 157, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 9, + "aa": "s", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.397136190727, - "psi": 131.678261635829, - "oldID": "52", - "bg": 24.76, + "a6": 114.412281211332, + "psi": 171.764296675599, + "oldID": "56", + "bg": 28.02, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 35.3001051072062, + "zeta": 34.9140224048828, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 151, - "sidechain_SER": null, - "bm": 30.0, + "next": 160, + "sidechain_SER": 5, + "bm": 28.0, "xpr": false, - "prev": 149, + "prev": 150, "terminal_flag": false, - "phi": -55.1568424591037, + "phi": -114.67572878722, "chainID": "A", "sidechain_GLN": null, - "ome": -175.974796778366, - "chi2": 39.4275240936863, - "chi3": -42.1822615171797, - "chi1": -21.0357782654502, - "chi4": 30.1647655742419, + "ome": 177.571002664197, + "chi2": null, + "chi3": null, + "chi1": 76.0731161201477, + "chi4": null, "chi5": null, - "a1": 120.567440153695, - "L4": 1.54718716648177, - "L5": 1.2105639566048, - "L2": 1.47499282302599, - "L3": 1.53946324182065, - "a7": 123.668529572916, - "L1": 1.35063767762591, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 8.00645647178681, - "ss": "-", - "a3": 113.16746291181, - "bs": 24.0, - "a2": 103.860621850808, - "a5": 120.9180241987, + "a1": 116.0996750761, + "L4": 1.50623671973153, + "L5": 1.22352945302736, + "L2": 1.44236283790308, + "L3": 1.507077853648, + "a7": 124.839900227564, + "L1": 1.30503034205593, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "-", + "a3": 111.523655352013, + "bs": 25.0, + "a2": 110.218826165853, + "a5": 120.735487672295, "sidechain_LEU": null, - "chainIndex": 52, + "chainIndex": 56, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.307773755944 + "a4": 109.106282176265 } }, { - "pk": 151, + "pk": 158, + "model": "pgd_core.residue", + "fields": { + "aa": "g", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1MWQA", + "sidechain_ASP": null, + "a6": 114.763216160093, + "psi": -148.40244983775, + "oldID": "55", + "bg": 0.0, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1MWQ", + "zeta": null, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 159, + "sidechain_SER": null, + "bm": 9.0, + "xpr": false, + "prev": 155, + "terminal_flag": false, + "phi": 64.0239205164992, + "chainID": "A", + "sidechain_GLN": null, + "ome": -165.414666564179, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 121.232971385661, + "L4": 1.52076112604727, + "L5": 1.2424417344246, + "L2": 1.44893886404023, + "L3": null, + "a7": 123.946441739622, + "L1": 1.32620521140261, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "-", + "a3": 114.091793763607, + "bs": 0.0, + "a2": null, + "a5": 121.144430856736, + "sidechain_LEU": null, + "chainIndex": 58, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": null + } +}, +{ + "pk": 159, "model": "pgd_core.residue", "fields": { "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 113.705319442388, - "psi": -43.3141935699735, - "oldID": "53", - "bg": 52.96, + "a6": 117.37956691358, + "psi": 159.089652510733, + "oldID": "56", + "bg": 9.51, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.4550871116088, - "sidechain_PHE": 9, + "protein": "1MWQ", + "zeta": 35.3039790376242, + "sidechain_PHE": 6, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 152, + "next": 161, "sidechain_SER": null, - "bm": 34.0, + "bm": 9.0, "xpr": false, - "prev": 150, + "prev": 158, "terminal_flag": false, - "phi": -33.3806847718929, + "phi": -129.465917082942, "chainID": "A", "sidechain_GLN": null, - "ome": -173.612385022979, - "chi2": -15.1831901024001, + "ome": 179.800254074328, + "chi2": 87.4838480301029, "chi3": null, - "chi1": -62.0591643410021, + "chi1": -56.4955685985307, "chi4": null, "chi5": null, - "a1": 124.380237133522, - "L4": 1.50574645772475, - "L5": 1.2467821250438, - "L2": 1.46182369051474, - "L3": 1.530284195691, - "a7": 124.735860161807, - "L1": 1.33092880486371, + "a1": 123.9878862247, + "L4": 1.51182998309393, + "L5": 1.2336829246697, + "L2": 1.46459267337849, + "L3": 1.53707481445937, + "a7": 122.260180130236, + "L1": 1.32514241359987, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 120.060028794191, - "bs": 54.0, - "a2": 110.073135116401, - "a5": 121.540514354843, + "ss": "E", + "a3": 110.655818892791, + "bs": 10.0, + "a2": 109.741221963411, + "a5": 120.345799075713, "sidechain_LEU": null, - "chainIndex": 53, + "chainIndex": 59, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.916466034858 + "a4": 109.466143924282 } }, { - "pk": 152, + "pk": 160, "model": "pgd_core.residue", "fields": { "aa": "d", @@ -72049,250 +60433,250 @@ "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": 9, - "a6": 117.272952729066, - "psi": 27.9551840947109, - "oldID": "54", - "bg": 43.82, + "a6": 118.957929742995, + "psi": -10.7759469686799, + "oldID": "57", + "bg": 38.25, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 37.8139753367309, + "zeta": 35.52900045418, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 153, + "next": 164, "sidechain_SER": null, - "bm": 33.0, + "bm": 25.0, "xpr": false, - "prev": 151, + "prev": 157, "terminal_flag": false, - "phi": -100.196042245451, + "phi": -52.4756377080403, "chainID": "A", "sidechain_GLN": null, - "ome": 178.691321804425, - "chi2": -33.3173933529891, + "ome": 179.76364949176, + "chi2": 5.13598394401643, "chi3": null, - "chi1": 72.4467588053272, + "chi1": -83.8509384479576, "chi4": null, "chi5": null, - "a1": 123.746087666355, - "L4": 1.51708347767224, - "L5": 1.25408916813474, - "L2": 1.43771881471663, - "L3": 1.51780702905676, - "a7": 122.92590366915, - "L1": 1.31789785096327, + "a1": 124.279907520444, + "L4": 1.53373951749899, + "L5": 1.21597948684685, + "L2": 1.4317533579854, + "L3": 1.54849864862865, + "a7": 122.915979921388, + "L1": 1.32374461987079, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 112.461704487884, - "bs": 43.0, - "a2": 108.92672630383, - "a5": 119.756180055111, + "a3": 111.30919283453, + "bs": 38.0, + "a2": 109.759485095584, + "a5": 118.112048510122, "sidechain_LEU": null, - "chainIndex": 54, + "chainIndex": 57, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.125267766713 + "a4": 109.170291665082 } }, { - "pk": 153, + "pk": 161, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.322991138504, - "psi": -179.124437548428, - "oldID": "55", - "bg": 38.79, + "a6": 117.537960229907, + "psi": -2.92497526912774, + "oldID": "57", + "bg": 9.28, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.7556748225689, + "protein": "1MWQ", + "zeta": 34.9532777250425, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 6, "sidechain_TRP": null, - "next": 154, + "next": 163, "sidechain_SER": null, - "bm": 36.0, + "bm": 8.0, "xpr": false, - "prev": 152, + "prev": 159, "terminal_flag": false, - "phi": -115.782433042592, + "phi": -110.078189672828, "chainID": "A", "sidechain_GLN": null, - "ome": 179.773046018868, - "chi2": -92.820959126363, - "chi3": 109.685734374567, - "chi1": -60.9992261507037, - "chi4": -82.2249861808551, - "chi5": 0.851065925244317, - "a1": 119.469142625549, - "L4": 1.52184050459452, - "L5": 1.24507720926593, - "L2": 1.46422527954353, - "L3": 1.52044024384529, - "a7": 121.022971293514, - "L1": 1.32697917341636, - "sidechain_ARG": 8, + "ome": -174.206743532109, + "chi2": null, + "chi3": null, + "chi1": 69.1808114041971, + "chi4": null, + "chi5": null, + "a1": 122.222041949434, + "L4": 1.50329964785872, + "L5": 1.26314863442573, + "L2": 1.43321011621518, + "L3": 1.55655598303761, + "a7": 122.571489790904, + "L1": 1.33387119021917, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.388259744016, - "bs": 45.0, - "a2": 110.219221772956, - "a5": 122.636417800907, + "ss": "E", + "a3": 113.518208360706, + "bs": 9.0, + "a2": 112.108102079175, + "a5": 119.840423478701, "sidechain_LEU": null, - "chainIndex": 55, + "chainIndex": 60, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.411256503942 + "a4": 107.128802303942 } }, { - "pk": 154, + "pk": 162, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 114.412281211332, - "psi": 171.764296675599, - "oldID": "56", - "bg": 28.02, + "a6": 115.6482891879, + "psi": 152.247778526341, + "oldID": "48", + "bg": 32.61, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.9140224048828, + "protein": "3CGM", + "zeta": 32.9609630277299, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 155, - "sidechain_SER": 5, + "next": 166, + "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 153, + "prev": 156, "terminal_flag": false, - "phi": -114.67572878722, + "phi": -90.7463277179332, "chainID": "A", "sidechain_GLN": null, - "ome": 177.571002664197, - "chi2": null, - "chi3": null, - "chi1": 76.0731161201477, + "ome": 171.169073300665, + "chi2": -86.3272559143984, + "chi3": -9.99841229367881, + "chi1": -92.3884242035837, "chi4": null, "chi5": null, - "a1": 116.0996750761, - "L4": 1.50623671973153, - "L5": 1.22352945302736, - "L2": 1.44236283790308, - "L3": 1.507077853648, - "a7": 124.839900227564, - "L1": 1.30503034205593, + "a1": 121.356273437238, + "L4": 1.5264830181818, + "L5": 1.2326571205025, + "L2": 1.45337622981509, + "L3": 1.53946954140061, + "a7": 122.742165799663, + "L1": 1.33318838224379, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 16, "omep": null, - "ss": "-", - "a3": 111.523655352013, - "bs": 25.0, - "a2": 110.218826165853, - "a5": 120.735487672295, + "ss": "B", + "a3": 111.049272536954, + "bs": 33.0, + "a2": 111.424358651407, + "a5": 121.607777094104, "sidechain_LEU": null, - "chainIndex": 56, + "chainIndex": 48, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.106282176265 + "a4": 110.980379352642 } }, { - "pk": 155, + "pk": 163, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": 10, - "a6": 118.957929742995, - "psi": -10.7759469686799, - "oldID": "57", - "bg": 38.25, + "chain": "1MWQA", + "sidechain_ASP": null, + "a6": 114.360316756145, + "psi": -163.993059231891, + "oldID": "58", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.52900045418, + "protein": "1MWQ", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 156, + "next": 165, "sidechain_SER": null, - "bm": 25.0, + "bm": 7.0, "xpr": false, - "prev": 154, + "prev": 161, "terminal_flag": false, - "phi": -52.4756377080403, + "phi": 157.050804001819, "chainID": "A", "sidechain_GLN": null, - "ome": 179.76364949176, - "chi2": 5.13598394401643, + "ome": -179.564459512799, + "chi2": null, "chi3": null, - "chi1": -83.8509384479576, + "chi1": null, "chi4": null, "chi5": null, - "a1": 124.279907520444, - "L4": 1.53373951749899, - "L5": 1.21597948684685, - "L2": 1.4317533579854, - "L3": 1.54849864862865, - "a7": 122.915979921388, - "L1": 1.32374461987079, + "a1": 121.07631742131, + "L4": 1.52655711588822, + "L5": 1.22615302676567, + "L2": 1.45346926743677, + "L3": null, + "a7": 125.122384417888, + "L1": 1.32191615548368, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.30919283453, - "bs": 38.0, - "a2": 109.759485095584, - "a5": 118.112048510122, + "ss": "E", + "a3": 108.660824459541, + "bs": 0.0, + "a2": null, + "a5": 120.517084387859, "sidechain_LEU": null, - "chainIndex": 57, + "chainIndex": 61, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.170291665082 + "a4": null } }, { - "pk": 156, + "pk": 164, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", - "sidechain_ASP": 11, + "sidechain_ASP": 10, "a6": 116.085181629939, "psi": 5.18332817539996, "oldID": "58", @@ -72307,11 +60691,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 157, + "next": 168, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 155, + "prev": 160, "terminal_flag": false, "phi": -86.5211974115622, "chainID": "A", @@ -72346,1898 +60730,1898 @@ } }, { - "pk": 157, + "pk": 165, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.194381871617, - "psi": 130.349604317146, + "a6": 115.058711323785, + "psi": 161.184765544506, "oldID": "59", - "bg": 21.67, + "bg": 11.93, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.779230628497, + "protein": "1MWQ", + "zeta": 36.8841152091406, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 158, - "sidechain_SER": null, - "bm": 21.0, + "next": 167, + "sidechain_SER": 6, + "bm": 6.0, "xpr": false, - "prev": 156, + "prev": 163, "terminal_flag": false, - "phi": -59.0635832902505, + "phi": -143.24917984016, "chainID": "A", "sidechain_GLN": null, - "ome": -177.000547726295, - "chi2": 68.083206771533, + "ome": 176.427295733555, + "chi2": null, "chi3": null, - "chi1": -160.254286917022, + "chi1": -58.4642577689523, "chi4": null, "chi5": null, - "a1": 120.086909270526, - "L4": 1.53624609016218, - "L5": 1.21848943777652, - "L2": 1.44889822297869, - "L3": 1.52726268263894, - "a7": 123.697571681685, - "L1": 1.32387422942896, + "a1": 124.043903096807, + "L4": 1.51279089195806, + "L5": 1.23372851264772, + "L2": 1.44589098369903, + "L3": 1.52648978992931, + "a7": 124.080876133469, + "L1": 1.32186802776637, "sidechain_ARG": null, - "sidechain_TYR": 8, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.684833479481, - "bs": 21.0, - "a2": 109.975740678113, - "a5": 120.102890035117, + "ss": "E", + "a3": 109.299157994103, + "bs": 10.0, + "a2": 110.787439501371, + "a5": 120.817224602005, "sidechain_LEU": null, - "chainIndex": 59, + "chainIndex": 62, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.471708482488 + "a4": 106.365501743733 } }, { - "pk": 158, + "pk": 166, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.939935994892, - "psi": 125.684330862682, - "oldID": "60", - "bg": 23.86, + "a6": 116.571781085888, + "psi": 129.719244801328, + "oldID": "49", + "bg": 31.77, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 36.462856898023, + "protein": "3CGM", + "zeta": 34.7292404702382, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 6, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 159, + "next": 171, "sidechain_SER": null, - "bm": 21.0, + "bm": 27.0, "xpr": false, - "prev": 157, + "prev": 162, "terminal_flag": false, - "phi": -138.959005584843, + "phi": -52.3102125727004, "chainID": "A", "sidechain_GLN": null, - "ome": -179.442936937209, - "chi2": null, - "chi3": null, - "chi1": -57.2390831785359, + "ome": -176.666650073364, + "chi2": 174.18327044823, + "chi3": -65.8258760398143, + "chi1": -164.234944238323, "chi4": null, "chi5": null, - "a1": 122.717527216035, - "L4": 1.5089345550621, - "L5": 1.23857574279667, - "L2": 1.48018332853285, - "L3": 1.5317906888302, - "a7": 123.425578472131, - "L1": 1.32956907386385, + "a1": 121.560726856574, + "L4": 1.53182534090219, + "L5": 1.24027733073892, + "L2": 1.45352137334988, + "L3": 1.53452755154961, + "a7": 123.554993745812, + "L1": 1.3233407820343, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 17, "omep": null, - "ss": "E", - "a3": 108.337012381022, - "bs": 27.0, - "a2": 108.887480565547, - "a5": 120.576360481096, + "ss": "T", + "a3": 107.973018129758, + "bs": 33.0, + "a2": 110.154659172475, + "a5": 119.870077100999, "sidechain_LEU": null, - "chainIndex": 60, + "chainIndex": 49, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.017273013666 + "a4": 110.564153629256 } }, { - "pk": 159, + "pk": 167, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.866361608216, - "psi": 136.942208022727, - "oldID": "61", - "bg": 18.02, + "a6": 115.87105613768, + "psi": 130.524006987663, + "oldID": "60", + "bg": 8.39, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 36.1965914835826, + "protein": "1MWQ", + "zeta": 35.5053888089133, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 11, + "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 7, "sidechain_TRP": null, - "next": 160, + "next": 169, "sidechain_SER": null, - "bm": 20.0, + "bm": 6.0, "xpr": false, - "prev": 158, + "prev": 165, "terminal_flag": false, - "phi": -105.672482690707, + "phi": -133.38558564567, "chainID": "A", "sidechain_GLN": null, - "ome": 178.310589645722, + "ome": 175.168910918329, "chi2": null, "chi3": null, - "chi1": 175.632646164664, + "chi1": -57.6493843443511, "chi4": null, "chi5": null, - "a1": 121.618168959225, - "L4": 1.53770141209859, - "L5": 1.23245074008012, - "L2": 1.46147630828149, - "L3": 1.56144555077146, - "a7": 123.595305342987, - "L1": 1.33641166075992, + "a1": 122.407139501057, + "L4": 1.53629929483912, + "L5": 1.22199544903278, + "L2": 1.44858755077873, + "L3": 1.53864407414717, + "a7": 123.860904584734, + "L1": 1.34717219921657, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 107.000407663867, - "bs": 17.0, - "a2": 111.23802361956, - "a5": 119.536055414538, + "a3": 107.544820723421, + "bs": 8.0, + "a2": 110.445289348557, + "a5": 120.241269987629, "sidechain_LEU": null, - "chainIndex": 61, + "chainIndex": 63, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.683021713878 + "a4": 109.249216629094 } }, { - "pk": 160, + "pk": 168, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.46963757951, - "psi": 125.131757400072, - "oldID": "62", - "bg": 24.74, + "a6": 116.194381871617, + "psi": 130.349604317146, + "oldID": "59", + "bg": 21.67, "sidechain_CYS": null, - "sidechain_ILE": 10, + "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.5064931905969, + "zeta": 33.779230628497, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 161, + "next": 172, "sidechain_SER": null, - "bm": 18.0, + "bm": 21.0, "xpr": false, - "prev": 159, + "prev": 164, "terminal_flag": false, - "phi": -124.456115456189, + "phi": -59.0635832902505, "chainID": "A", "sidechain_GLN": null, - "ome": 179.061324948988, - "chi2": -37.3921357226336, + "ome": -177.000547726295, + "chi2": 68.083206771533, "chi3": null, - "chi1": -54.2311724223885, + "chi1": -160.254286917022, "chi4": null, "chi5": null, - "a1": 120.100854393459, - "L4": 1.53367946255039, - "L5": 1.19682669060753, - "L2": 1.44246415437448, - "L3": 1.62463060285657, - "a7": 122.650394726784, - "L1": 1.32810495868989, + "a1": 120.086909270526, + "L4": 1.53624609016218, + "L5": 1.21848943777652, + "L2": 1.44889822297869, + "L3": 1.52726268263894, + "a7": 123.697571681685, + "L1": 1.32387422942896, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 8, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.393234132597, - "bs": 27.0, - "a2": 113.791907103925, - "a5": 121.876950428882, + "ss": "-", + "a3": 106.684833479481, + "bs": 21.0, + "a2": 109.975740678113, + "a5": 120.102890035117, "sidechain_LEU": null, - "chainIndex": 62, + "chainIndex": 59, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.192041796339 + "a4": 112.471708482488 } }, { - "pk": 161, + "pk": 169, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.291945982645, - "psi": 124.44510982879, - "oldID": "63", - "bg": 32.21, + "a6": 117.87447746007, + "psi": 138.6165680078, + "oldID": "61", + "bg": 9.12, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.8159264602315, + "protein": "1MWQ", + "zeta": 35.2678647942071, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 10, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 162, + "next": 170, "sidechain_SER": null, - "bm": 17.0, + "bm": 6.0, "xpr": false, - "prev": 160, + "prev": 167, "terminal_flag": false, - "phi": -112.278374181779, + "phi": -128.032115257232, "chainID": "A", "sidechain_GLN": null, - "ome": -178.644949190964, - "chi2": -158.815527567454, - "chi3": -15.7281024429668, - "chi1": 169.395054378774, + "ome": 165.905472117276, + "chi2": null, + "chi3": null, + "chi1": 177.358858673672, "chi4": null, "chi5": null, - "a1": 121.990371109191, - "L4": 1.52324601603134, - "L5": 1.24981995677761, - "L2": 1.44837314475645, - "L3": 1.55560553644891, - "a7": 123.258961330501, - "L1": 1.32674151504593, + "a1": 123.451443732307, + "L4": 1.52340452282167, + "L5": 1.23801265566959, + "L2": 1.46607830219251, + "L3": 1.53715849051435, + "a7": 122.182263058173, + "L1": 1.34196694343833, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 12, + "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 105.116577318529, - "bs": 31.0, - "a2": 110.327339854231, - "a5": 121.442609120515, + "a3": 107.664825455717, + "bs": 8.0, + "a2": 112.124718640357, + "a5": 119.819930216558, "sidechain_LEU": null, - "chainIndex": 63, + "chainIndex": 64, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.387049180651 + "a4": 107.796013697403 } }, { - "pk": 162, + "pk": 170, "model": "pgd_core.residue", "fields": { "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.167958309755, - "psi": 120.964494956434, - "oldID": "64", - "bg": 23.84, + "a6": 116.392478969267, + "psi": 120.415390496538, + "oldID": "62", + "bg": 10.07, "sidechain_CYS": null, - "sidechain_ILE": 11, - "protein": "1MWW", - "zeta": 36.7748431831466, + "sidechain_ILE": 10, + "protein": "1MWQ", + "zeta": 31.0466636921642, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 163, + "next": 173, "sidechain_SER": null, - "bm": 20.0, + "bm": 6.0, "xpr": false, - "prev": 161, + "prev": 169, "terminal_flag": false, - "phi": -120.752567903147, + "phi": -125.289418287429, "chainID": "A", "sidechain_GLN": null, - "ome": 176.799654836121, - "chi2": 171.368154395343, + "ome": -174.176141867406, + "chi2": -178.786875006704, "chi3": null, - "chi1": -55.3503185123465, + "chi1": -57.050484804717, "chi4": null, "chi5": null, - "a1": 120.871847024824, - "L4": 1.52266635342599, - "L5": 1.2124020059983, - "L2": 1.46363102810315, - "L3": 1.59003868159856, - "a7": 121.514830137929, - "L1": 1.32737294497536, + "a1": 123.034244631389, + "L4": 1.5310019803985, + "L5": 1.23213051711036, + "L2": 1.45376876027871, + "L3": 1.50766231728097, + "a7": 123.423764710856, + "L1": 1.31671983691804, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 109.573549825723, - "bs": 23.0, - "a2": 111.657154349873, - "a5": 120.313271147885, + "a3": 106.332461389367, + "bs": 9.0, + "a2": 113.881802691378, + "a5": 120.170735294265, "sidechain_LEU": null, - "chainIndex": 64, + "chainIndex": 65, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.215232972338 + "a4": 112.577626391234 } }, { - "pk": 163, + "pk": 171, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "g", "sidechain_PRO": null, - "sidechain_ASN": 7, - "chain": "1MWWA", + "sidechain_ASN": null, + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.825533116168, - "psi": 130.304875813131, - "oldID": "65", - "bg": 18.34, + "a6": 118.701388784748, + "psi": -15.1414505242421, + "oldID": "50", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.7180977872182, + "protein": "3CGM", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 164, + "next": 174, "sidechain_SER": null, - "bm": 17.0, + "bm": 26.0, "xpr": false, - "prev": 162, + "prev": 166, "terminal_flag": false, - "phi": -104.641960811303, + "phi": 106.27539097505, "chainID": "A", "sidechain_GLN": null, - "ome": -179.960474532504, - "chi2": -80.0780564641511, + "ome": -174.903424948434, + "chi2": null, "chi3": null, - "chi1": -70.7069726333242, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.901490704511, - "L4": 1.58190119267052, - "L5": 1.21327926440209, - "L2": 1.46069719315538, - "L3": 1.51402291199809, - "a7": 121.818272445946, - "L1": 1.31278126602341, + "a1": 122.421666790555, + "L4": 1.52707415247196, + "L5": 1.23882998267992, + "L2": 1.45387985837389, + "L3": null, + "a7": 120.186288799746, + "L1": 1.33713584018992, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.60312114214, - "bs": 17.0, - "a2": 108.97670953259, - "a5": 121.282040933896, + "ss": "T", + "a3": 115.701962153853, + "bs": 0.0, + "a2": null, + "a5": 121.109734215637, "sidechain_LEU": null, - "chainIndex": 65, + "chainIndex": 50, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.710441236894 + "a4": null } }, { - "pk": 164, + "pk": 172, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 114.37528099265, - "psi": 162.899448943783, - "oldID": "66", - "bg": 24.86, + "a6": 115.939935994892, + "psi": 125.684330862682, + "oldID": "60", + "bg": 23.86, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 37.6486099584455, + "zeta": 36.462856898023, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 8, "sidechain_TRP": null, - "next": 165, + "next": 176, "sidechain_SER": null, - "bm": 23.0, + "bm": 21.0, "xpr": false, - "prev": 163, + "prev": 168, "terminal_flag": false, - "phi": -131.914317476269, + "phi": -138.959005584843, "chainID": "A", "sidechain_GLN": null, - "ome": 173.727158212052, - "chi2": 14.4848265196852, + "ome": -179.442936937209, + "chi2": null, "chi3": null, - "chi1": -84.8775104973609, + "chi1": -57.2390831785359, "chi4": null, "chi5": null, - "a1": 122.885101226953, - "L4": 1.52322019629738, - "L5": 1.24261396224844, - "L2": 1.4676851832825, - "L3": 1.54754209616601, - "a7": 123.587822814199, - "L1": 1.32448536112487, + "a1": 122.717527216035, + "L4": 1.5089345550621, + "L5": 1.23857574279667, + "L2": 1.48018332853285, + "L3": 1.5317906888302, + "a7": 123.425578472131, + "L1": 1.32956907386385, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 110.681108368234, - "bs": 24.0, - "a2": 110.172585005099, - "a5": 121.910909438301, - "sidechain_LEU": 17, - "chainIndex": 66, + "a3": 108.337012381022, + "bs": 27.0, + "a2": 108.887480565547, + "a5": 120.576360481096, + "sidechain_LEU": null, + "chainIndex": 60, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.606925532425 + "a4": 109.017273013666 } }, { - "pk": 165, + "pk": 173, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.374730999255, - "psi": 135.824743024018, - "oldID": "67", - "bg": 38.3, + "a6": 113.606385933203, + "psi": 160.860036788638, + "oldID": "63", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.4645188964734, + "protein": "1MWQ", + "zeta": 33.5799078653351, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 2, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 166, + "next": 179, "sidechain_SER": null, - "bm": 24.0, + "bm": 6.0, "xpr": false, - "prev": 164, + "prev": 170, "terminal_flag": false, - "phi": -80.3582843963652, + "phi": -155.341769081103, "chainID": "A", "sidechain_GLN": null, - "ome": -176.313461220969, - "chi2": -157.086379853837, - "chi3": 33.1649380943456, - "chi1": -88.931844412116, + "ome": 174.86930133673, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.397596116675, - "L4": 1.54360220159986, - "L5": 1.24426734333496, - "L2": 1.45535455441702, - "L3": 1.54752677176018, - "a7": 122.140349264966, - "L1": 1.31171021145464, + "a1": 120.723484140737, + "L4": 1.52955880897348, + "L5": 1.21542204897927, + "L2": 1.45925845308279, + "L3": 1.50098702023254, + "a7": 124.40891081412, + "L1": 1.33205772083536, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 103.542558238484, - "bs": 34.0, - "a2": 109.563720465329, - "a5": 120.481712914589, + "a3": 108.919413469252, + "bs": 7.0, + "a2": 111.93557660066, + "a5": 121.932596426413, "sidechain_LEU": null, - "chainIndex": 67, + "chainIndex": 66, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.161967407191 + "a4": 109.755963341671 } }, { - "pk": 166, + "pk": 174, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.074704935892, - "psi": 156.359224944601, - "oldID": "68", - "bg": 0.0, + "a6": 116.730045243278, + "psi": 147.227447413609, + "oldID": "51", + "bg": 30.17, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.5358601766261, + "protein": "3CGM", + "zeta": 33.4602984651431, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 167, + "next": 175, "sidechain_SER": null, - "bm": 27.0, + "bm": 29.0, "xpr": false, - "prev": 165, + "prev": 171, "terminal_flag": false, - "phi": -66.8779889173313, + "phi": -74.0012496779193, "chainID": "A", "sidechain_GLN": null, - "ome": -177.654924180304, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 174.715079919609, + "chi2": -171.413826337911, + "chi3": 50.745432879717, + "chi1": -72.103682467586, "chi4": null, "chi5": null, - "a1": 120.340634691304, - "L4": 1.54205184083237, - "L5": 1.24683707675291, - "L2": 1.45431316983659, - "L3": 1.45506130168677, - "a7": 123.596547630749, - "L1": 1.32488068252979, + "a1": 116.676298420676, + "L4": 1.51885596859847, + "L5": 1.22692772519311, + "L2": 1.47633632815227, + "L3": 1.52683630653194, + "a7": 122.556821154183, + "L1": 1.32104227358681, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 18, "omep": null, - "ss": "T", - "a3": 111.359066771552, - "bs": 16.0, - "a2": 110.175287121766, - "a5": 120.324893947848, + "ss": "-", + "a3": 110.999728445321, + "bs": 30.0, + "a2": 111.806789598528, + "a5": 120.708530557348, "sidechain_LEU": null, - "chainIndex": 68, + "chainIndex": 51, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.241518452398 + "a4": 109.670097371518 } }, { - "pk": 167, + "pk": 175, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 120.37609162059, - "psi": -31.5849689826898, - "oldID": "69", + "a6": 118.616865762288, + "psi": 129.163460632555, + "oldID": "52", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": null, + "protein": "3CGM", + "zeta": 35.7681524821875, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 168, + "next": 177, "sidechain_SER": null, - "bm": 31.0, + "bm": 30.0, "xpr": false, - "prev": 166, + "prev": 174, "terminal_flag": false, - "phi": 136.00466303437, + "phi": -127.174138393923, "chainID": "A", "sidechain_GLN": null, - "ome": 179.213705417788, + "ome": -174.769341559522, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.788504543652, - "L4": 1.53998229833864, - "L5": 1.21630344560027, - "L2": 1.45482704426273, - "L3": null, - "a7": 120.496053318274, - "L1": 1.33267011119058, + "a1": 121.988225617325, + "L4": 1.51321753455945, + "L5": 1.2215656791271, + "L2": 1.45284946686854, + "L3": 1.51839833639337, + "a7": 122.206273502565, + "L1": 1.32392376664049, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.60371552135, - "bs": 0.0, - "a2": null, - "a5": 119.106913814132, + "ss": "E", + "a3": 104.923218613729, + "bs": 31.0, + "a2": 110.183716351969, + "a5": 119.168917643288, "sidechain_LEU": null, - "chainIndex": 69, + "chainIndex": 52, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.53414129423 } }, { - "pk": 168, + "pk": 176, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.380076177491, - "psi": 157.986568016236, - "oldID": "70", - "bg": 21.63, + "a6": 116.866361608216, + "psi": 136.942208022727, + "oldID": "61", + "bg": 18.02, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 33.454917582007, + "zeta": 36.1965914835826, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 11, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 169, + "next": 181, "sidechain_SER": null, - "bm": 31.0, + "bm": 20.0, "xpr": false, - "prev": 167, + "prev": 172, "terminal_flag": false, - "phi": -66.9235415252456, + "phi": -105.672482690707, "chainID": "A", "sidechain_GLN": null, - "ome": -178.089966132665, - "chi2": 158.604255880721, - "chi3": -169.887054328164, - "chi1": -75.4105153506849, - "chi4": 85.7919943140467, - "chi5": 1.42495691957032, - "a1": 119.064974497474, - "L4": 1.51913801913918, - "L5": 1.23594669347536, - "L2": 1.4679691697722, - "L3": 1.53620841658816, - "a7": 122.405692713965, - "L1": 1.32919599523732, - "sidechain_ARG": 9, + "ome": 178.310589645722, + "chi2": null, + "chi3": null, + "chi1": 175.632646164664, + "chi4": null, + "chi5": null, + "a1": 121.618168959225, + "L4": 1.53770141209859, + "L5": 1.23245074008012, + "L2": 1.46147630828149, + "L3": 1.56144555077146, + "a7": 123.595305342987, + "L1": 1.33641166075992, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.61631692053, - "bs": 33.0, - "a2": 111.336574108156, - "a5": 121.212156452992, + "ss": "E", + "a3": 107.000407663867, + "bs": 17.0, + "a2": 111.23802361956, + "a5": 119.536055414538, "sidechain_LEU": null, - "chainIndex": 70, + "chainIndex": 61, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.439021573558 + "a4": 107.683021713878 } }, { - "pk": 169, + "pk": 177, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.665507054086, - "psi": 161.94848500011, - "oldID": "71", - "bg": 33.19, + "a6": 115.905327886673, + "psi": 164.615698121889, + "oldID": "53", + "bg": 29.72, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.2442912592773, - "sidechain_PHE": null, + "protein": "3CGM", + "zeta": 33.8978537966791, + "sidechain_PHE": 7, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 3, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 170, + "next": 178, "sidechain_SER": null, - "bm": 29.0, + "bm": 30.0, "xpr": false, - "prev": 168, + "prev": 175, "terminal_flag": false, - "phi": -82.1928351230962, + "phi": -152.140600969843, "chainID": "A", "sidechain_GLN": null, - "ome": 179.687378260856, - "chi2": 173.873250807576, - "chi3": -73.441700132551, - "chi1": -70.788110254418, + "ome": 172.237137970348, + "chi2": -85.519902807391, + "chi3": null, + "chi1": 60.9861843643208, "chi4": null, "chi5": null, - "a1": 120.014032690193, - "L4": 1.49772182155669, - "L5": 1.20059206642513, - "L2": 1.46815784148586, - "L3": 1.53310068639295, - "a7": 123.19629038982, - "L1": 1.32695518698504, + "a1": 118.912126182944, + "L4": 1.54312288913882, + "L5": 1.23865230711825, + "L2": 1.46554766806857, + "L3": 1.54418796312432, + "a7": 123.744594480827, + "L1": 1.33049307766119, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.484330475223, - "bs": 40.0, - "a2": 111.137368454999, - "a5": 120.130353319852, + "ss": "E", + "a3": 111.248091123309, + "bs": 28.0, + "a2": 109.580536745526, + "a5": 120.349840859773, "sidechain_LEU": null, - "chainIndex": 71, + "chainIndex": 53, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.744822555047 + "a4": 111.350649065908 } }, { - "pk": 170, + "pk": 178, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.120185323996, - "psi": -43.6367855133509, - "oldID": "72", - "bg": 42.91, + "a6": 117.84058182253, + "psi": 137.860236718885, + "oldID": "54", + "bg": 37.1, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.4789505168942, + "protein": "3CGM", + "zeta": 35.8782747345335, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 171, + "next": 180, "sidechain_SER": null, - "bm": 33.0, + "bm": 34.0, "xpr": false, - "prev": 169, + "prev": 177, "terminal_flag": false, - "phi": -55.6304411995704, + "phi": -103.84929126064, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.405298756729, - "chi2": 171.436182634982, - "chi3": -16.3872809176322, - "chi1": 169.08055099135, + "sidechain_GLN": 8, + "ome": 175.536274408848, + "chi2": 70.0898426769776, + "chi3": 73.7232548356845, + "chi1": -72.0975362374365, "chi4": null, "chi5": null, - "a1": 120.570957176472, - "L4": 1.53269129147922, - "L5": 1.23686408718963, - "L2": 1.4410642062548, - "L3": 1.52379351930194, - "a7": 122.189102052535, - "L1": 1.31899132856618, + "a1": 122.39292486583, + "L4": 1.51349610511772, + "L5": 1.21837464319947, + "L2": 1.45314159370462, + "L3": 1.53131392501635, + "a7": 122.888429028748, + "L1": 1.3293959182688, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 13, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.805817700428, - "bs": 49.0, - "a2": 107.26965636175, - "a5": 121.675824539771, + "ss": "E", + "a3": 107.519663603251, + "bs": 37.0, + "a2": 110.845455100343, + "a5": 119.270174943273, "sidechain_LEU": null, - "chainIndex": 72, + "chainIndex": 54, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.332905778235 + "a4": 108.281400863871 } }, { - "pk": 171, + "pk": 179, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.481927335501, - "psi": -34.2084918166319, - "oldID": "73", - "bg": 0.0, + "a6": 115.096826398711, + "psi": 140.69574201794, + "oldID": "64", + "bg": 9.54, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": null, + "protein": "1MWQ", + "zeta": 35.1332133959935, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 172, + "next": 183, "sidechain_SER": null, - "bm": 33.0, + "bm": 7.0, "xpr": false, - "prev": 170, + "prev": 173, "terminal_flag": false, - "phi": -60.5392923602735, + "phi": -87.0182191788757, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.474439038507, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 9, + "ome": 174.730112432473, + "chi2": 171.36198599843, + "chi3": -63.3385537110897, + "chi1": -67.8914828554056, "chi4": null, "chi5": null, - "a1": 120.014093458941, - "L4": 1.50340983658149, - "L5": 1.22987688667173, - "L2": 1.44882336109456, - "L3": null, - "a7": 122.018247154839, - "L1": 1.33250470494727, + "a1": 121.544025064275, + "L4": 1.50921109004382, + "L5": 1.24787075510254, + "L2": 1.46797723196783, + "L3": 1.51718843013784, + "a7": 123.780638658757, + "L1": 1.34125293387943, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 115.064574397124, - "bs": 0.0, - "a2": null, - "a5": 120.499697873593, + "ss": "E", + "a3": 111.010331089215, + "bs": 11.0, + "a2": 110.116734324542, + "a5": 121.077103816755, "sidechain_LEU": null, - "chainIndex": 73, + "chainIndex": 67, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.982101457124 } }, { - "pk": 172, + "pk": 180, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.172577137431, - "psi": -46.3817384009079, - "oldID": "74", - "bg": 32.0, + "a6": 116.888824968123, + "psi": 116.805101937517, + "oldID": "55", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.9047889411213, + "protein": "3CGM", + "zeta": 34.6628703551863, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 7, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 173, + "next": 182, "sidechain_SER": null, - "bm": 27.0, + "bm": 34.0, "xpr": false, - "prev": 171, + "prev": 178, "terminal_flag": false, - "phi": -65.4353290377053, + "phi": -130.118725271785, "chainID": "A", "sidechain_GLN": null, - "ome": 178.277716056608, + "ome": 170.123322603981, "chi2": null, "chi3": null, - "chi1": -57.0874397006632, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.136781047009, - "L4": 1.55295718289436, - "L5": 1.23234374313523, - "L2": 1.47591356112904, - "L3": 1.55136359994602, - "a7": 122.503540936254, - "L1": 1.326924634207, + "a1": 121.214593000176, + "L4": 1.51667273706147, + "L5": 1.23191078311976, + "L2": 1.46505896694802, + "L3": 1.54302024576605, + "a7": 122.618818111413, + "L1": 1.33255700507336, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.800583354575, - "bs": 34.0, - "a2": 108.01254391528, - "a5": 122.319533660476, + "ss": "E", + "a3": 109.849852859706, + "bs": 31.0, + "a2": 110.426215229151, + "a5": 120.469446912682, "sidechain_LEU": null, - "chainIndex": 74, + "chainIndex": 55, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.889695181443 + "a4": 109.975933521117 } }, { - "pk": 173, + "pk": 181, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.91657567279, - "psi": -44.068751949051, - "oldID": "75", - "bg": 21.44, + "a6": 115.46963757951, + "psi": 125.131757400072, + "oldID": "62", + "bg": 24.74, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 11, "protein": "1MWW", - "zeta": 33.8683448195504, + "zeta": 34.5064931905969, "sidechain_PHE": null, - "sidechain_LYS": 13, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 174, + "next": 186, "sidechain_SER": null, - "bm": 27.0, + "bm": 18.0, "xpr": false, - "prev": 172, + "prev": 176, "terminal_flag": false, - "phi": -62.2373127956058, + "phi": -124.456115456189, "chainID": "A", "sidechain_GLN": null, - "ome": 176.943050740511, - "chi2": 172.944942388855, - "chi3": -76.0751027589322, - "chi1": -73.7747842416009, - "chi4": -179.584145662195, + "ome": 179.061324948988, + "chi2": -37.3921357226336, + "chi3": null, + "chi1": -54.2311724223885, + "chi4": null, "chi5": null, - "a1": 121.576078600683, - "L4": 1.54836261369585, - "L5": 1.22774937360674, - "L2": 1.45766385482996, - "L3": 1.5362964679607, - "a7": 122.048285921641, - "L1": 1.32937401160996, + "a1": 120.100854393459, + "L4": 1.53367946255039, + "L5": 1.19682669060753, + "L2": 1.44246415437448, + "L3": 1.62463060285657, + "a7": 122.650394726784, + "L1": 1.32810495868989, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.451102379852, - "bs": 21.0, - "a2": 108.388926015319, - "a5": 120.029801682809, + "ss": "E", + "a3": 108.393234132597, + "bs": 27.0, + "a2": 113.791907103925, + "a5": 121.876950428882, "sidechain_LEU": null, - "chainIndex": 75, + "chainIndex": 62, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.449041678269 + "a4": 108.192041796339 } }, { - "pk": 174, + "pk": 182, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.956737166082, - "psi": -40.1662024223847, - "oldID": "76", - "bg": 22.57, + "a6": 118.487457736068, + "psi": 105.826963158332, + "oldID": "56", + "bg": 39.31, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.8523196891945, + "protein": "3CGM", + "zeta": 35.1844375705745, "sidechain_PHE": null, - "sidechain_LYS": 14, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 175, + "next": 184, "sidechain_SER": null, - "bm": 26.0, + "bm": 34.0, "xpr": false, - "prev": 173, + "prev": 180, "terminal_flag": false, - "phi": -57.8719688162541, + "phi": -87.1005072893131, "chainID": "A", "sidechain_GLN": null, - "ome": -178.575869610261, - "chi2": 172.744190439858, - "chi3": 69.1946841613616, - "chi1": -54.8555691091669, - "chi4": 158.269902450222, + "ome": -177.625140918061, + "chi2": null, + "chi3": null, + "chi1": 178.99300351155, + "chi4": null, "chi5": null, - "a1": 121.098700351459, - "L4": 1.51745541109747, - "L5": 1.2518106092387, - "L2": 1.49184900103113, - "L3": 1.53279929812872, - "a7": 122.260453296631, - "L1": 1.3445977362828, + "a1": 121.403943747535, + "L4": 1.54678930725047, + "L5": 1.23078916827056, + "L2": 1.44422960103328, + "L3": 1.53114707098344, + "a7": 120.848935826089, + "L1": 1.32408833946165, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.421473454405, - "bs": 29.0, - "a2": 110.497966292923, - "a5": 121.782659343009, + "ss": "E", + "a3": 110.635917067195, + "bs": 39.0, + "a2": 109.079189063492, + "a5": 120.660774923721, "sidechain_LEU": null, - "chainIndex": 76, - "sidechain_HIS": null, + "chainIndex": 56, + "sidechain_HIS": 7, "h_bond_energy": 0.0, - "a4": 109.158493323951 + "a4": 110.175385052603 } }, { - "pk": 175, + "pk": 183, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.030982008669, - "psi": -47.5106984391651, - "oldID": "77", - "bg": 41.02, + "a6": 115.09612626448, + "psi": 168.115291191665, + "oldID": "65", + "bg": 7.69, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.3711309012774, - "sidechain_PHE": null, + "protein": "1MWQ", + "zeta": 33.6342376566482, + "sidechain_PHE": 8, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 176, + "next": 185, "sidechain_SER": null, - "bm": 28.0, + "bm": 8.0, "xpr": false, - "prev": 174, + "prev": 179, "terminal_flag": false, - "phi": -59.3266109698676, + "phi": -137.949276171828, "chainID": "A", "sidechain_GLN": null, - "ome": 178.983699818832, - "chi2": -167.187447884824, - "chi3": -36.3451279211989, - "chi1": -178.631131330541, - "chi4": 128.61358249734, - "chi5": 0.909296363100793, - "a1": 120.370685075192, - "L4": 1.510202388066, - "L5": 1.23506256654592, - "L2": 1.46949082489466, - "L3": 1.54534583758152, - "a7": 123.083419858329, - "L1": 1.3445391255796, - "sidechain_ARG": 10, + "ome": -178.75507965885, + "chi2": -85.6339590820647, + "chi3": null, + "chi1": -63.5497278924142, + "chi4": null, + "chi5": null, + "a1": 123.933882559266, + "L4": 1.51488261981645, + "L5": 1.22841590000416, + "L2": 1.45082742761113, + "L3": 1.53815543615556, + "a7": 123.050140565626, + "L1": 1.33416805465281, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.797598543885, - "bs": 46.0, - "a2": 111.075936377587, - "a5": 121.883115854714, + "ss": "-", + "a3": 109.872295890959, + "bs": 8.0, + "a2": 111.354999293017, + "a5": 121.727899729624, "sidechain_LEU": null, - "chainIndex": 77, + "chainIndex": 68, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.797086480913 + "a4": 110.563537033904 } }, { - "pk": 176, + "pk": 184, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.020505221197, - "psi": -51.167749983878, - "oldID": "78", - "bg": 29.26, + "a6": 117.579983176724, + "psi": 113.576763375198, + "oldID": "57", + "bg": 25.16, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.7245128269943, + "protein": "3CGM", + "zeta": 34.7480572346786, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 12, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 177, + "next": 189, "sidechain_SER": null, - "bm": 24.0, + "bm": 29.0, "xpr": false, - "prev": 175, + "prev": 182, "terminal_flag": false, - "phi": -55.6950572842367, + "phi": -100.444413082775, "chainID": "A", "sidechain_GLN": null, - "ome": -179.446309090379, - "chi2": -167.300613687975, + "ome": -176.481517335807, + "chi2": null, "chi3": null, - "chi1": -143.249982681125, + "chi1": -176.697163574185, "chi4": null, "chi5": null, - "a1": 121.494652197186, - "L4": 1.51569305362459, - "L5": 1.22353289769593, - "L2": 1.46671137722763, - "L3": 1.53500815827394, - "a7": 122.918090428346, - "L1": 1.32978551619983, + "a1": 119.740572549172, + "L4": 1.52489066493265, + "L5": 1.21571616967429, + "L2": 1.471854884453, + "L3": 1.54769700299667, + "a7": 122.027919058003, + "L1": 1.32685857898249, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.842170875861, - "bs": 26.0, - "a2": 110.541123516678, - "a5": 120.041430222839, - "sidechain_LEU": 18, - "chainIndex": 78, + "ss": "E", + "a3": 109.940366345462, + "bs": 25.0, + "a2": 110.377554196587, + "a5": 120.349167311078, + "sidechain_LEU": null, + "chainIndex": 57, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.191559008275 + "a4": 109.837282586391 } }, { - "pk": 177, + "pk": 185, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 114.432991240141, - "psi": -48.6900076668896, - "oldID": "79", - "bg": 15.25, + "a6": 118.820593829149, + "psi": -31.8022210555607, + "oldID": "66", + "bg": 12.16, "sidechain_CYS": null, - "sidechain_ILE": 12, - "protein": "1MWW", - "zeta": 33.8927992983388, + "sidechain_ILE": null, + "protein": "1MWQ", + "zeta": 34.9372188981437, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 178, + "next": 187, "sidechain_SER": null, - "bm": 22.0, + "bm": 10.0, "xpr": false, - "prev": 176, + "prev": 183, "terminal_flag": false, - "phi": -57.487200978413, + "phi": -65.571978859944, "chainID": "A", "sidechain_GLN": null, - "ome": 178.739012351617, - "chi2": 144.359847740328, - "chi3": null, - "chi1": -78.5086422690859, + "ome": -177.554540474145, + "chi2": -59.0612840724843, + "chi3": -37.3494431105336, + "chi1": -65.8885578430057, "chi4": null, "chi5": null, - "a1": 119.840964393135, - "L4": 1.55755381696417, - "L5": 1.2708273518778, - "L2": 1.48142638978412, - "L3": 1.60073328565244, - "a7": 123.439123240064, - "L1": 1.34149356159229, + "a1": 119.134128307893, + "L4": 1.4917327420487, + "L5": 1.26732576223616, + "L2": 1.45694383288055, + "L3": 1.53850725601079, + "a7": 121.055159392227, + "L1": 1.35006476995719, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 19, "omep": null, - "ss": "H", - "a3": 109.343254353025, - "bs": 21.0, - "a2": 111.022367087726, - "a5": 122.127498195776, + "ss": "S", + "a3": 112.681443809932, + "bs": 12.0, + "a2": 108.640883875548, + "a5": 120.101229412113, "sidechain_LEU": null, - "chainIndex": 79, + "chainIndex": 69, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.981443860685 + "a4": 110.664536651215 } }, { - "pk": 178, + "pk": 186, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.877202769026, - "psi": -47.4214313794976, - "oldID": "80", - "bg": 34.53, + "a6": 115.291945982645, + "psi": 124.44510982879, + "oldID": "63", + "bg": 32.21, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.7110337857208, + "zeta": 34.8159264602315, "sidechain_PHE": null, - "sidechain_LYS": 15, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 179, + "next": 190, "sidechain_SER": null, - "bm": 24.0, + "bm": 17.0, "xpr": false, - "prev": 177, + "prev": 181, "terminal_flag": false, - "phi": -55.1315406035662, + "phi": -112.278374181779, "chainID": "A", "sidechain_GLN": null, - "ome": 179.995863893328, - "chi2": 55.5985272016199, - "chi3": 154.74846444134, - "chi1": -119.209285771508, - "chi4": -71.8893118112289, + "ome": -178.644949190964, + "chi2": -158.815527567454, + "chi3": -15.7281024429668, + "chi1": 169.395054378774, + "chi4": null, "chi5": null, - "a1": 121.729346510744, - "L4": 1.55437796224995, - "L5": 1.25483946237071, - "L2": 1.48063377857258, - "L3": 1.53280463043721, - "a7": 121.29274522017, - "L1": 1.33247909737472, + "a1": 121.990371109191, + "L4": 1.52324601603134, + "L5": 1.24981995677761, + "L2": 1.44837314475645, + "L3": 1.55560553644891, + "a7": 123.258961330501, + "L1": 1.32674151504593, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 20, "omep": null, - "ss": "H", - "a3": 111.583878518242, - "bs": 37.0, - "a2": 108.326461223095, - "a5": 121.718506433274, + "ss": "E", + "a3": 105.116577318529, + "bs": 31.0, + "a2": 110.327339854231, + "a5": 121.442609120515, "sidechain_LEU": null, - "chainIndex": 80, + "chainIndex": 63, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.064957730509 + "a4": 111.387049180651 } }, { - "pk": 179, + "pk": 187, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1MWWA", + "sidechain_ASN": 7, + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.651440285183, - "psi": -43.1744313841788, - "oldID": "81", - "bg": 37.04, + "a6": 115.841568238472, + "psi": 175.683138853742, + "oldID": "67", + "bg": 12.86, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.1298575741557, + "protein": "1MWQ", + "zeta": 32.210022699722, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 4, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 180, + "next": 188, "sidechain_SER": null, - "bm": 33.0, + "bm": 9.0, "xpr": false, - "prev": 178, + "prev": 185, "terminal_flag": false, - "phi": -65.8325149718036, + "phi": -173.652427864102, "chainID": "A", "sidechain_GLN": null, - "ome": 179.904255824871, - "chi2": 178.742215084097, - "chi3": 39.8150310258178, - "chi1": -52.7766227490104, + "ome": -175.67503270011, + "chi2": 58.345995094999, + "chi3": null, + "chi1": 51.1719812241243, "chi4": null, "chi5": null, - "a1": 118.832791474977, - "L4": 1.50038611640713, - "L5": 1.25847354214031, - "L2": 1.46690849995887, - "L3": 1.52694191625573, - "a7": 122.29038454723, - "L1": 1.33665241752127, + "a1": 125.775648756104, + "L4": 1.5402562590939, + "L5": 1.24158729476128, + "L2": 1.4481359242926, + "L3": 1.53184673683121, + "a7": 122.71981654091, + "L1": 1.32811734700529, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.166507429181, - "bs": 39.0, - "a2": 111.4210945856, - "a5": 121.053578247806, + "ss": "S", + "a3": 107.051425989358, + "bs": 13.0, + "a2": 110.590469239044, + "a5": 121.434132329802, "sidechain_LEU": null, - "chainIndex": 81, + "chainIndex": 70, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.224986252883 + "a4": 114.162323688081 } }, { - "pk": 180, + "pk": 188, "model": "pgd_core.residue", "fields": { "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.019103453958, - "psi": -38.4843609064291, - "oldID": "82", - "bg": 30.34, + "a6": 118.357755572457, + "psi": -43.6011180337679, + "oldID": "68", + "bg": 11.01, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.0827209596974, + "protein": "1MWQ", + "zeta": 33.0900049248006, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 181, + "next": 191, "sidechain_SER": null, - "bm": 29.0, + "bm": 9.0, "xpr": false, - "prev": 179, + "prev": 187, "terminal_flag": false, - "phi": -56.5282877986735, + "phi": -62.0377922650266, "chainID": "A", "sidechain_GLN": null, - "ome": 178.965778739075, - "chi2": 162.803046857426, + "ome": -179.801883090377, + "chi2": 59.6861849796492, "chi3": null, - "chi1": -72.7155220779218, + "chi1": 178.449574931408, "chi4": null, "chi5": null, - "a1": 116.50000289043, - "L4": 1.53984765257649, - "L5": 1.24431344735617, - "L2": 1.46958598074672, - "L3": 1.55597258472846, - "a7": 122.882318739741, - "L1": 1.33117329656941, + "a1": 121.284614874955, + "L4": 1.50905016451644, + "L5": 1.25026954419769, + "L2": 1.45676713337351, + "L3": 1.52850809116804, + "a7": 121.294405421063, + "L1": 1.31589718704215, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.030918877858, - "bs": 23.0, - "a2": 111.043940243507, - "a5": 120.098556941536, - "sidechain_LEU": 19, - "chainIndex": 82, + "a3": 111.080433959065, + "bs": 11.0, + "a2": 110.945324538622, + "a5": 120.323732005586, + "sidechain_LEU": 23, + "chainIndex": 71, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.213676162672 + "a4": 111.225152853576 } }, { - "pk": 181, + "pk": 189, "model": "pgd_core.residue", "fields": { - "aa": "f", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 9, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.783614600266, - "psi": -52.3815123642209, - "oldID": "83", - "bg": 23.26, + "a6": 114.910949719026, + "psi": 160.474517138825, + "oldID": "58", + "bg": 27.49, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.6795737585148, - "sidechain_PHE": 10, + "protein": "3CGM", + "zeta": 39.0801784346775, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 182, + "next": 193, "sidechain_SER": null, - "bm": 26.0, + "bm": 28.0, "xpr": false, - "prev": 180, + "prev": 184, "terminal_flag": false, - "phi": -61.0259519174727, + "phi": -72.4129654028042, "chainID": "A", "sidechain_GLN": null, - "ome": 178.510128505551, - "chi2": -52.1013853917439, - "chi3": null, - "chi1": -86.0371539412056, - "chi4": null, + "ome": -171.106358453091, + "chi2": -37.9169562282308, + "chi3": 32.7814521165274, + "chi1": 27.7627259254304, + "chi4": -15.3052078326791, "chi5": null, - "a1": 122.262689781137, - "L4": 1.54791033497735, - "L5": 1.23513654619535, - "L2": 1.50093997853656, - "L3": 1.56564317587265, - "a7": 122.205922177301, - "L1": 1.33499273088411, + "a1": 119.487385589349, + "L4": 1.51555156165116, + "L5": 1.24699658390503, + "L2": 1.46633732501786, + "L3": 1.5401838948524, + "a7": 124.072258812431, + "L1": 1.33679390019204, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.516856266867, - "bs": 21.0, - "a2": 110.468370831293, - "a5": 122.006602221726, + "omep": -0.449705325402965, + "ss": "-", + "a3": 111.916023225005, + "bs": 27.0, + "a2": 103.29920734248, + "a5": 121.001593013579, "sidechain_LEU": null, - "chainIndex": 83, + "chainIndex": 58, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.110696531326 + "a4": 110.12714429315 } }, { - "pk": 182, + "pk": 190, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.324496355809, - "psi": -53.4456170395503, - "oldID": "84", - "bg": 51.3, + "a6": 118.167958309755, + "psi": 120.964494956434, + "oldID": "64", + "bg": 23.84, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 12, "protein": "1MWW", - "zeta": 35.673413147789, + "zeta": 36.7748431831466, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 183, - "sidechain_SER": 6, - "bm": 33.0, + "next": 194, + "sidechain_SER": null, + "bm": 20.0, "xpr": false, - "prev": 181, + "prev": 186, "terminal_flag": false, - "phi": -58.2304778915955, + "phi": -120.752567903147, "chainID": "A", "sidechain_GLN": null, - "ome": -178.149786353196, - "chi2": null, + "ome": 176.799654836121, + "chi2": 171.368154395343, "chi3": null, - "chi1": -66.4465877734816, + "chi1": -55.3503185123465, "chi4": null, "chi5": null, - "a1": 120.812907975751, - "L4": 1.50818922780046, - "L5": 1.23666122876025, - "L2": 1.47192289077829, - "L3": 1.51756761711303, - "a7": 123.745622264122, - "L1": 1.31459508563791, + "a1": 120.871847024824, + "L4": 1.52266635342599, + "L5": 1.2124020059983, + "L2": 1.46363102810315, + "L3": 1.59003868159856, + "a7": 121.514830137929, + "L1": 1.32737294497536, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.839981480522, - "bs": 43.0, - "a2": 111.020462080369, - "a5": 120.929653479996, + "ss": "E", + "a3": 109.573549825723, + "bs": 23.0, + "a2": 111.657154349873, + "a5": 120.313271147885, "sidechain_LEU": null, - "chainIndex": 84, + "chainIndex": 64, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.037912519224 + "a4": 106.215232972338 } }, { - "pk": 183, + "pk": 191, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.304962235844, - "psi": -42.8569717200466, - "oldID": "85", - "bg": 52.25, + "a6": 118.35264055469, + "psi": -38.0244528161609, + "oldID": "69", + "bg": 17.72, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.8126880938935, + "protein": "1MWQ", + "zeta": 32.8059651548414, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 184, + "next": 192, "sidechain_SER": null, - "bm": 34.0, + "bm": 10.0, "xpr": false, - "prev": 182, + "prev": 188, "terminal_flag": false, - "phi": -57.1260649744895, + "phi": -63.6093345745708, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.19670513134, - "chi2": 114.690597723001, - "chi3": 52.5582095645951, - "chi1": -153.202683983032, + "sidechain_GLN": 10, + "ome": 177.109080428947, + "chi2": 65.2008699152273, + "chi3": 46.9907897545348, + "chi1": -170.160091325382, "chi4": null, "chi5": null, - "a1": 121.390248201969, - "L4": 1.49958669816789, - "L5": 1.24125729374604, - "L2": 1.44826612718352, - "L3": 1.53783302370032, - "a7": 122.83681862538, - "L1": 1.3337762541515, + "a1": 118.959074364599, + "L4": 1.53585500249984, + "L5": 1.25027743772618, + "L2": 1.47030442447186, + "L3": 1.52657700854503, + "a7": 123.38494254336, + "L1": 1.33130030024429, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 14, + "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 114.249957664827, - "bs": 57.0, - "a2": 109.930008313697, - "a5": 118.857161350118, + "a3": 110.646202309466, + "bs": 19.0, + "a2": 110.959970006189, + "a5": 118.253699116437, "sidechain_LEU": null, - "chainIndex": 85, + "chainIndex": 72, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.348221691016 + "a4": 111.511858538533 } }, { - "pk": 184, + "pk": 192, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.154294957559, - "psi": -27.4620692121186, - "oldID": "86", - "bg": 38.41, + "a6": 117.350830245627, + "psi": -39.2928788071378, + "oldID": "70", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.9651895882065, + "protein": "1MWQ", + "zeta": 31.9361202252128, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 185, + "next": 195, "sidechain_SER": null, - "bm": 37.0, + "bm": 9.0, "xpr": false, - "prev": 183, + "prev": 191, "terminal_flag": false, - "phi": -71.8052325374608, + "phi": -61.7336873140036, "chainID": "A", "sidechain_GLN": null, - "ome": 177.831292703394, - "chi2": 60.8720178087482, + "ome": 177.430179965914, + "chi2": null, "chi3": null, - "chi1": -97.465277655719, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.131870780478, - "L4": 1.54894087995462, - "L5": 1.25484378925253, - "L2": 1.47381291228732, - "L3": 1.5459651863195, - "a7": 123.157605889282, - "L1": 1.34505518314571, + "a1": 120.042947653505, + "L4": 1.53704172413916, + "L5": 1.24474714319854, + "L2": 1.46677254119634, + "L3": 1.52044151125942, + "a7": 122.806272760265, + "L1": 1.3270111067598, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.352118475427, - "bs": 36.0, - "a2": 110.97433373307, - "a5": 121.550215327319, - "sidechain_LEU": 20, - "chainIndex": 86, + "a3": 110.238250252215, + "bs": 10.0, + "a2": 112.255131369567, + "a5": 119.824128917181, + "sidechain_LEU": null, + "chainIndex": 73, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.425707809942 + "a4": 111.524668792943 } }, { - "pk": 185, + "pk": 193, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.19606441798, - "psi": -65.9936469064679, - "oldID": "87", - "bg": 52.04, + "a6": 117.058950393386, + "psi": -40.7670427992918, + "oldID": "59", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.9378144707381, + "protein": "3CGM", + "zeta": 34.4467780799279, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 186, + "next": 198, "sidechain_SER": null, - "bm": 46.0, + "bm": 27.0, "xpr": false, - "prev": 184, + "prev": 189, "terminal_flag": false, - "phi": -65.5127448821394, + "phi": -53.4280033621474, "chainID": "A", "sidechain_GLN": null, - "ome": -178.930597453506, - "chi2": -110.21762841426, - "chi3": -16.9432766384647, - "chi1": -82.0092693484603, + "ome": -177.357301311229, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.572835753368, - "L4": 1.54349234492408, - "L5": 1.24117183233476, - "L2": 1.47043882076972, - "L3": 1.54608355411958, - "a7": 123.244543474505, - "L1": 1.3333841080767, + "a1": 122.741391335147, + "L4": 1.50591439562359, + "L5": 1.24350180685753, + "L2": 1.4468000250381, + "L3": 1.50376817392778, + "a7": 123.07789330617, + "L1": 1.31780171371659, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 15, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 106.345795495436, - "bs": 53.0, - "a2": 110.29220234902, - "a5": 121.507807189989, + "ss": "G", + "a3": 110.522868405478, + "bs": 26.0, + "a2": 109.974861413819, + "a5": 119.825313990184, "sidechain_LEU": null, - "chainIndex": 87, + "chainIndex": 59, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.89118159917 + "a4": 110.250686778873 } }, { - "pk": 186, + "pk": 194, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 8, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.465716688008, - "psi": -46.4789231924883, - "oldID": "88", - "bg": 50.48, + "a6": 116.825533116168, + "psi": 130.304875813131, + "oldID": "65", + "bg": 18.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 32.6739696352309, + "zeta": 35.7180977872182, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 187, + "next": 196, "sidechain_SER": null, - "bm": 53.0, + "bm": 17.0, "xpr": false, - "prev": 185, + "prev": 190, "terminal_flag": false, - "phi": -62.1275896207983, + "phi": -104.641960811303, "chainID": "A", "sidechain_GLN": null, - "ome": -179.128297415194, - "chi2": 67.2958961195608, + "ome": -179.960474532504, + "chi2": -80.0780564641511, "chi3": null, - "chi1": -60.7506457277274, + "chi1": -70.7069726333242, "chi4": null, "chi5": null, - "a1": 122.612690011115, - "L4": 1.51969774228873, - "L5": 1.2366240142822, - "L2": 1.46978848115598, - "L3": 1.5351928751719, - "a7": 121.772914277965, - "L1": 1.3264758309557, + "a1": 119.901490704511, + "L4": 1.58190119267052, + "L5": 1.21327926440209, + "L2": 1.46069719315538, + "L3": 1.51402291199809, + "a7": 121.818272445946, + "L1": 1.31278126602341, "sidechain_ARG": null, - "sidechain_TYR": 9, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 119.316741266094, - "bs": 54.0, - "a2": 109.88507424359, - "a5": 119.757999490549, + "ss": "E", + "a3": 111.60312114214, + "bs": 17.0, + "a2": 108.97670953259, + "a5": 121.282040933896, "sidechain_LEU": null, - "chainIndex": 88, + "chainIndex": 65, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.573314155912 + "a4": 108.710441236894 } }, { - "pk": 187, + "pk": 195, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.759602206283, - "psi": -32.7397598516185, - "oldID": "89", - "bg": 50.34, + "a6": 117.703603529153, + "psi": -47.0219665526009, + "oldID": "71", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.7958026802009, + "protein": "1MWQ", + "zeta": 33.3686696924498, "sidechain_PHE": null, - "sidechain_LYS": 16, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 188, + "next": 197, "sidechain_SER": null, - "bm": 45.0, + "bm": 7.0, "xpr": false, - "prev": 186, + "prev": 192, "terminal_flag": false, - "phi": -84.5763037129989, + "phi": -63.1225273719736, "chainID": "A", "sidechain_GLN": null, - "ome": -179.252581691002, - "chi2": 138.672109661254, - "chi3": -70.5111689178656, - "chi1": -128.750557193695, - "chi4": 156.815817397589, + "ome": -179.938294045244, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 118.994873276025, - "L4": 1.53664919151383, - "L5": 1.23882338822963, - "L2": 1.44983512741177, - "L3": 1.52240103506367, - "a7": 120.95666791617, - "L1": 1.32558844594311, + "a1": 121.265989523593, + "L4": 1.5134485001817, + "L5": 1.24888518468934, + "L2": 1.50083205547538, + "L3": 1.49334249490214, + "a7": 120.475464734804, + "L1": 1.32632678925399, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 116.120570987136, - "bs": 53.0, - "a2": 109.124377044781, - "a5": 120.280110543862, + "a3": 109.404126809639, + "bs": 7.0, + "a2": 109.83906778813, + "a5": 121.733808338116, "sidechain_LEU": null, - "chainIndex": 89, + "chainIndex": 74, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.163635826478 + "a4": 111.760923444077 } }, { - "pk": 188, + "pk": 196, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -74245,1219 +62629,1158 @@ "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.114774194817, - "psi": -11.129086715512, - "oldID": "90", - "bg": 45.42, + "a6": 114.37528099265, + "psi": 162.899448943783, + "oldID": "66", + "bg": 24.86, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 33.6606680991363, + "zeta": 37.6486099584455, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 189, + "next": 199, "sidechain_SER": null, - "bm": 43.0, + "bm": 23.0, "xpr": false, - "prev": 187, + "prev": 194, "terminal_flag": false, - "phi": -109.534690472242, + "phi": -131.914317476269, "chainID": "A", "sidechain_GLN": null, - "ome": -178.715810794458, - "chi2": 76.665372430051, + "ome": 173.727158212052, + "chi2": 14.4848265196852, "chi3": null, - "chi1": -77.6795437454103, + "chi1": -84.8775104973609, "chi4": null, "chi5": null, - "a1": 117.474391831862, - "L4": 1.50080914001029, - "L5": 1.23337777437196, - "L2": 1.46085231729721, - "L3": 1.53183265564898, - "a7": 124.138400487104, - "L1": 1.33182557523708, + "a1": 122.885101226953, + "L4": 1.52322019629738, + "L5": 1.24261396224844, + "L2": 1.4676851832825, + "L3": 1.54754209616601, + "a7": 123.587822814199, + "L1": 1.32448536112487, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.741331273497, - "bs": 44.0, - "a2": 111.73258129211, - "a5": 119.746407980961, - "sidechain_LEU": 21, - "chainIndex": 90, + "ss": "E", + "a3": 110.681108368234, + "bs": 24.0, + "a2": 110.172585005099, + "a5": 121.910909438301, + "sidechain_LEU": 24, + "chainIndex": 66, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.408414958428 + "a4": 105.606925532425 } }, { - "pk": 189, + "pk": 197, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.806776737753, - "psi": 31.9192725138282, - "oldID": "91", - "bg": 0.0, + "a6": 119.143717240545, + "psi": -42.2681489276267, + "oldID": "72", + "bg": 11.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": null, + "protein": "1MWQ", + "zeta": 35.1656390916458, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 11, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 190, + "next": 200, "sidechain_SER": null, - "bm": 42.0, + "bm": 8.0, "xpr": false, - "prev": 188, + "prev": 195, "terminal_flag": false, - "phi": 72.0686713821989, + "phi": -62.791941972716, "chainID": "A", "sidechain_GLN": null, - "ome": 179.226461716488, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 178.603362624924, + "chi2": 176.729857296985, + "chi3": 170.93740835692, + "chi1": -70.9008914692744, + "chi4": 171.464425472968, "chi5": null, - "a1": 120.368861178688, - "L4": 1.52001109786272, - "L5": 1.2407326686334, - "L2": 1.45692589879712, - "L3": null, - "a7": 122.287307087516, - "L1": 1.33191923515449, + "a1": 121.778388092807, + "L4": 1.53187052191093, + "L5": 1.26399961598669, + "L2": 1.44342211029654, + "L3": 1.53993288960091, + "a7": 122.403177092749, + "L1": 1.3447136305008, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.44343595334, - "bs": 0.0, - "a2": null, - "a5": 121.881573053139, + "ss": "H", + "a3": 110.176751800696, + "bs": 14.0, + "a2": 110.751060248136, + "a5": 118.450819304669, "sidechain_LEU": null, - "chainIndex": 91, + "chainIndex": 75, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.831846154177 } }, { - "pk": 190, + "pk": 198, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 114.372567571343, - "psi": 112.710414935627, - "oldID": "92", - "bg": 26.53, + "a6": 117.53879065293, + "psi": -5.49231894640693, + "oldID": "60", + "bg": 30.7, "sidechain_CYS": null, - "sidechain_ILE": 13, - "protein": "1MWW", - "zeta": 33.7643074483529, + "sidechain_ILE": null, + "protein": "3CGM", + "zeta": 31.5812415168992, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 191, + "next": 202, "sidechain_SER": null, - "bm": 36.0, + "bm": 27.0, "xpr": false, - "prev": 189, + "prev": 193, "terminal_flag": false, - "phi": -99.5996651305301, + "phi": -66.9591336422079, "chainID": "A", "sidechain_GLN": null, - "ome": -177.505964073586, - "chi2": 163.126221974387, - "chi3": null, - "chi1": -67.4931629704553, + "ome": 178.41776973684, + "chi2": -80.0469012804951, + "chi3": 6.12739846049839, + "chi1": 74.4735923075987, "chi4": null, "chi5": null, - "a1": 120.463895520071, - "L4": 1.50146750536326, - "L5": 1.23816590068668, - "L2": 1.4577391950472, - "L3": 1.51296848365282, - "a7": 124.519587419919, - "L1": 1.32952607348737, + "a1": 119.82640746991, + "L4": 1.51701731069127, + "L5": 1.23263050332897, + "L2": 1.47658102794182, + "L3": 1.54327393263383, + "a7": 122.710507256173, + "L1": 1.33757818635658, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 21, "omep": null, - "ss": "-", - "a3": 106.537349931823, - "bs": 28.0, - "a2": 111.339515408278, - "a5": 121.099609524989, + "ss": "G", + "a3": 113.816628970129, + "bs": 31.0, + "a2": 112.901084057632, + "a5": 119.731929434529, "sidechain_LEU": null, - "chainIndex": 92, + "chainIndex": 60, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.12996565488 + "a4": 110.221819863883 } }, { - "pk": 191, + "pk": 199, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.540435860869, - "psi": 128.977213522248, - "oldID": "93", - "bg": 48.37, + "a6": 117.374730999255, + "psi": 135.824743024018, + "oldID": "67", + "bg": 38.3, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.9947233275681, + "zeta": 35.4645188964734, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 3, "sidechain_THR": null, "sidechain_TRP": null, - "next": 192, + "next": 201, "sidechain_SER": null, - "bm": 35.0, + "bm": 24.0, "xpr": false, - "prev": 190, + "prev": 196, "terminal_flag": false, - "phi": -56.4817246062891, + "phi": -80.3582843963652, "chainID": "A", "sidechain_GLN": null, - "ome": 177.878857352651, - "chi2": -154.917691896303, - "chi3": 72.7358129193948, - "chi1": -65.6320376414703, - "chi4": 57.8525037581546, - "chi5": 0.347901938599523, - "a1": 120.393623832622, - "L4": 1.50102242711615, - "L5": 1.235890237276, - "L2": 1.45088351664022, - "L3": 1.53964629790561, - "a7": 124.191312986969, - "L1": 1.33289284428822, - "sidechain_ARG": 11, + "ome": -176.313461220969, + "chi2": -157.086379853837, + "chi3": 33.1649380943456, + "chi1": -88.931844412116, + "chi4": null, + "chi5": null, + "a1": 123.397596116675, + "L4": 1.54360220159986, + "L5": 1.24426734333496, + "L2": 1.45535455441702, + "L3": 1.54752677176018, + "a7": 122.140349264966, + "L1": 1.31171021145464, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.867929191444, - "bs": 54.0, - "a2": 111.001403139241, - "a5": 118.256924386477, + "ss": "E", + "a3": 103.542558238484, + "bs": 34.0, + "a2": 109.563720465329, + "a5": 120.481712914589, "sidechain_LEU": null, - "chainIndex": 93, + "chainIndex": 67, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.334796479072 + "a4": 111.161967407191 } }, { - "pk": 192, + "pk": 200, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": null, - "a6": 118.011835353939, - "psi": -33.5029515935687, - "oldID": "94", - "bg": 0.0, + "chain": "1MWQA", + "sidechain_ASP": 11, + "a6": 116.882495298245, + "psi": -45.0749191809205, + "oldID": "73", + "bg": 13.84, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.3743699239208, + "protein": "1MWQ", + "zeta": 34.069539894127, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 193, + "next": 204, "sidechain_SER": null, - "bm": 33.0, + "bm": 9.0, "xpr": false, - "prev": 191, + "prev": 197, "terminal_flag": false, - "phi": -46.4011952882068, + "phi": -60.9487233159088, "chainID": "A", "sidechain_GLN": null, - "ome": -179.334904087969, - "chi2": null, + "ome": 179.701120491283, + "chi2": -16.8586641121153, "chi3": null, - "chi1": null, + "chi1": -67.2242452487575, "chi4": null, "chi5": null, - "a1": 120.845094658402, - "L4": 1.53888701614098, - "L5": 1.23551353381862, - "L2": 1.46550453837832, - "L3": 1.54515373892964, - "a7": 121.791383863733, - "L1": 1.33977498491623, + "a1": 122.658852289602, + "L4": 1.52478407280336, + "L5": 1.24437373118033, + "L2": 1.45425256257203, + "L3": 1.51622922161364, + "a7": 121.923268949117, + "L1": 1.30910723938368, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.575593017873, - "bs": 31.0, - "a2": 111.102496387685, - "a5": 120.196691915611, + "ss": "H", + "a3": 109.947519484101, + "bs": 14.0, + "a2": 110.706796409455, + "a5": 121.189975864586, "sidechain_LEU": null, - "chainIndex": 94, + "chainIndex": 76, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.38114871972 + "a4": 110.224192120826 } }, { - "pk": 193, + "pk": 201, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.403511181214, - "psi": -18.8706617601934, - "oldID": "95", - "bg": 36.38, + "a6": 116.074704935892, + "psi": 156.359224944601, + "oldID": "68", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.3677083854576, + "zeta": 33.5358601766261, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 194, + "next": 203, "sidechain_SER": null, - "bm": 26.0, + "bm": 27.0, "xpr": false, - "prev": 192, + "prev": 199, "terminal_flag": false, - "phi": -62.9600934560014, + "phi": -66.8779889173313, "chainID": "A", "sidechain_GLN": null, - "ome": 179.841358915, + "ome": -177.654924180304, "chi2": null, "chi3": null, - "chi1": -102.61846190645, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.546523139734, - "L4": 1.50601529920493, - "L5": 1.20894098296456, - "L2": 1.47405659381835, - "L3": 1.53593797941883, - "a7": 123.449224369067, - "L1": 1.33914340094484, + "a1": 120.340634691304, + "L4": 1.54205184083237, + "L5": 1.24683707675291, + "L2": 1.45431316983659, + "L3": 1.45506130168677, + "a7": 123.596547630749, + "L1": 1.32488068252979, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.335692012896, - "bs": 34.0, - "a2": 112.362398249477, - "a5": 120.141348832459, + "ss": "T", + "a3": 111.359066771552, + "bs": 16.0, + "a2": 110.175287121766, + "a5": 120.324893947848, "sidechain_LEU": null, - "chainIndex": 95, - "sidechain_HIS": 5, + "chainIndex": 68, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.208664523944 + "a4": 110.241518452398 } }, { - "pk": 194, + "pk": 202, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": 12, - "a6": 116.925874817492, - "psi": 12.7492674573579, - "oldID": "96", - "bg": 31.6, + "chain": "3CGMA", + "sidechain_ASP": null, + "a6": 115.839345815331, + "psi": 4.57585989822389, + "oldID": "61", + "bg": 30.56, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 32.2259193287138, + "protein": "3CGM", + "zeta": 33.9768345555757, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 12, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 195, + "next": 205, "sidechain_SER": null, - "bm": 26.0, + "bm": 29.0, "xpr": false, - "prev": 193, + "prev": 198, "terminal_flag": false, - "phi": -96.2113636279815, + "phi": -122.098847394059, "chainID": "A", "sidechain_GLN": null, - "ome": 176.810288237283, - "chi2": -21.7136807498162, - "chi3": null, - "chi1": -85.973568753534, - "chi4": null, + "ome": 175.118298011936, + "chi2": -152.878161963272, + "chi3": -167.034279769957, + "chi1": -66.5693086657602, + "chi4": -154.864612009571, "chi5": null, - "a1": 120.299804932846, - "L4": 1.53830486928543, - "L5": 1.23497238405098, - "L2": 1.44799715242762, - "L3": 1.52028165001378, - "a7": 122.624760060262, - "L1": 1.32462300448016, + "a1": 122.027597351902, + "L4": 1.51805928315394, + "L5": 1.22359407378131, + "L2": 1.48360075882444, + "L3": 1.51348256258986, + "a7": 124.462076248643, + "L1": 1.33541149288018, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "G", - "a3": 113.805782545948, - "bs": 33.0, - "a2": 111.483929403405, - "a5": 120.447644518826, + "a3": 110.249409536464, + "bs": 31.0, + "a2": 112.464204034973, + "a5": 119.698571645383, "sidechain_LEU": null, - "chainIndex": 96, + "chainIndex": 61, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.653710674939 + "a4": 108.291666592919 } }, { - "pk": 195, + "pk": 203, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 112.870664875222, - "psi": 140.71349481016, - "oldID": "97", - "bg": 29.37, + "a6": 120.37609162059, + "psi": -31.5849689826898, + "oldID": "69", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 27.9057196956026, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 12, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 196, + "next": 207, "sidechain_SER": null, - "bm": 24.0, + "bm": 31.0, "xpr": false, - "prev": 194, + "prev": 201, "terminal_flag": false, - "phi": -125.441970730231, + "phi": 136.00466303437, "chainID": "A", "sidechain_GLN": null, - "ome": -177.140503962, + "ome": 179.213705417788, "chi2": null, "chi3": null, - "chi1": 6.25014752667264, + "chi1": null, "chi4": null, "chi5": null, - "a1": 116.694528657095, - "L4": 1.53374733281342, - "L5": 1.23187997697847, - "L2": 1.4531757963445, - "L3": 1.61734319215857, - "a7": 123.432960679447, - "L1": 1.32376533343497, + "a1": 121.788504543652, + "L4": 1.53998229833864, + "L5": 1.21630344560027, + "L2": 1.45482704426273, + "L3": null, + "a7": 120.496053318274, + "L1": 1.33267011119058, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 115.08964550478, - "bs": 26.0, - "a2": 112.726665709679, - "a5": 123.594997856979, + "ss": "T", + "a3": 115.60371552135, + "bs": 0.0, + "a2": null, + "a5": 119.106913814132, "sidechain_LEU": null, - "chainIndex": 97, + "chainIndex": 69, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.827899890463 + "a4": null } }, { - "pk": 196, + "pk": 204, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.84108121951, - "psi": 136.018596207844, - "oldID": "98", - "bg": 20.76, + "a6": 116.85155790359, + "psi": -44.4093596868085, + "oldID": "74", + "bg": 8.67, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 37.1576942338329, + "protein": "1MWQ", + "zeta": 33.3220621630686, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 197, + "sidechain_TRP": 1, + "next": 208, "sidechain_SER": null, - "bm": 16.0, + "bm": 8.0, "xpr": false, - "prev": 195, + "prev": 200, "terminal_flag": false, - "phi": -127.069561842425, + "phi": -61.5112833037952, "chainID": "A", "sidechain_GLN": null, - "ome": -178.343801463134, - "chi2": -166.992966865056, - "chi3": -51.4216202105618, - "chi1": -174.473145838326, + "ome": 178.821784735452, + "chi2": 94.418251500886, + "chi3": null, + "chi1": -175.654927342479, "chi4": null, "chi5": null, - "a1": 123.142059771832, - "L4": 1.49959196109635, - "L5": 1.20471240367818, - "L2": 1.43373026312746, - "L3": 1.5696555944165, - "a7": 123.724372079845, - "L1": 1.32233466258952, + "a1": 120.255591500043, + "L4": 1.53532821793713, + "L5": 1.23629270622783, + "L2": 1.44956829668093, + "L3": 1.53115432378574, + "a7": 122.714976834992, + "L1": 1.32421376937229, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 16, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 102.583206466324, - "bs": 20.0, - "a2": 108.96020599992, - "a5": 120.406572879171, + "ss": "H", + "a3": 110.318352322814, + "bs": 9.0, + "a2": 110.125581258528, + "a5": 120.427399980362, "sidechain_LEU": null, - "chainIndex": 98, + "chainIndex": 77, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.968380987747 + "a4": 111.917524720459 } }, { - "pk": 197, + "pk": 205, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.955707374714, - "psi": 141.761311692323, - "oldID": "99", - "bg": 25.13, + "a6": 118.934090257775, + "psi": -104.784937243236, + "oldID": "62", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 14, - "protein": "1MWW", - "zeta": 37.1934200662612, + "sidechain_ILE": null, + "protein": "3CGM", + "zeta": 32.8431295215051, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 198, + "next": 206, "sidechain_SER": null, - "bm": 19.0, + "bm": 31.0, "xpr": false, - "prev": 196, + "prev": 202, "terminal_flag": false, - "phi": -139.196365868837, + "phi": -113.280715628476, "chainID": "A", "sidechain_GLN": null, - "ome": 174.248616171277, - "chi2": 160.429981066676, + "ome": -174.983662641952, + "chi2": null, "chi3": null, - "chi1": -66.6568605866672, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.39418610025, - "L4": 1.51936449355971, - "L5": 1.23843297037706, - "L2": 1.43894083439377, - "L3": 1.59171254220626, - "a7": 122.942209028057, - "L1": 1.3102331462319, + "a1": 124.114723127502, + "L4": 1.56042279680231, + "L5": 1.22876454350037, + "L2": 1.46316409411212, + "L3": 1.53280881745137, + "a7": 121.673959721407, + "L1": 1.33413475886818, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.82330831072, - "bs": 24.0, - "a2": 110.345994678932, - "a5": 121.101835852325, + "ss": "T", + "a3": 113.042717235052, + "bs": 29.0, + "a2": 110.556744713404, + "a5": 119.391336177018, "sidechain_LEU": null, - "chainIndex": 99, + "chainIndex": 62, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.104477294929 + "a4": 111.001120931254 } }, { - "pk": 198, + "pk": 206, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.976849750726, - "psi": 132.837439455932, - "oldID": "100", - "bg": 21.58, + "a6": 117.06143035042, + "psi": 11.2354906593586, + "oldID": "63", + "bg": 30.76, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.4548487007872, + "protein": "3CGM", + "zeta": 29.7010084293153, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 8, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 199, + "next": 209, "sidechain_SER": null, - "bm": 17.0, + "bm": 31.0, "xpr": false, - "prev": 197, + "prev": 205, "terminal_flag": false, - "phi": -139.850717343432, + "phi": -100.683329355749, "chainID": "A", "sidechain_GLN": null, - "ome": 177.119284836596, - "chi2": null, + "ome": 175.427892771243, + "chi2": -86.6734673029135, "chi3": null, - "chi1": -46.377951659333, + "chi1": -67.740309640262, "chi4": null, "chi5": null, - "a1": 118.534910816495, - "L4": 1.52912090956131, - "L5": 1.20499944590987, - "L2": 1.44241035861485, - "L3": 1.53331764679819, - "a7": 122.965502919243, - "L1": 1.32773754071511, + "a1": 120.057082766167, + "L4": 1.53671808144486, + "L5": 1.21966406941017, + "L2": 1.46815014462702, + "L3": 1.57122464547352, + "a7": 122.430388731266, + "L1": 1.33332305355779, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 9, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.504580645059, - "bs": 23.0, - "a2": 111.657430697976, - "a5": 120.040330666606, + "ss": "T", + "a3": 112.1712247214, + "bs": 32.0, + "a2": 112.743382172828, + "a5": 120.50808324225, "sidechain_LEU": null, - "chainIndex": 100, + "chainIndex": 63, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.319735372868 + "a4": 113.718554208367 } }, { - "pk": 199, + "pk": 207, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 114.548708491051, - "psi": 123.460519370625, - "oldID": "101", - "bg": 22.98, + "a6": 116.380076177491, + "psi": 157.986568016236, + "oldID": "70", + "bg": 21.63, "sidechain_CYS": null, - "sidechain_ILE": 15, + "sidechain_ILE": null, "protein": "1MWW", - "zeta": 34.3464983337771, + "zeta": 33.454917582007, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 200, + "next": 210, "sidechain_SER": null, - "bm": 18.0, + "bm": 31.0, "xpr": false, - "prev": 198, + "prev": 203, "terminal_flag": false, - "phi": -102.506199018927, + "phi": -66.9235415252456, "chainID": "A", "sidechain_GLN": null, - "ome": 178.058845271105, - "chi2": 50.1677776240008, - "chi3": null, - "chi1": -72.6506966062263, - "chi4": null, - "chi5": null, - "a1": 120.81934118268, - "L4": 1.52551975940552, - "L5": 1.23719334815338, - "L2": 1.43635087729857, - "L3": 1.58851858218088, - "a7": 121.899043180774, - "L1": 1.30859592303405, - "sidechain_ARG": null, + "ome": -178.089966132665, + "chi2": 158.604255880721, + "chi3": -169.887054328164, + "chi1": -75.4105153506849, + "chi4": 85.7919943140467, + "chi5": 1.42495691957032, + "a1": 119.064974497474, + "L4": 1.51913801913918, + "L5": 1.23594669347536, + "L2": 1.4679691697722, + "L3": 1.53620841658816, + "a7": 122.405692713965, + "L1": 1.32919599523732, + "sidechain_ARG": 12, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.775964856955, - "bs": 27.0, - "a2": 112.5496960311, - "a5": 123.54724352291, + "ss": "-", + "a3": 110.61631692053, + "bs": 33.0, + "a2": 111.336574108156, + "a5": 121.212156452992, "sidechain_LEU": null, - "chainIndex": 101, + "chainIndex": 70, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.189096316474 + "a4": 110.439021573558 } }, { - "pk": 200, + "pk": 208, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.699322537776, - "psi": 131.251409645079, - "oldID": "102", - "bg": 27.12, + "a6": 117.112524046437, + "psi": -42.8402551139946, + "oldID": "75", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.4925007411758, + "protein": "1MWQ", + "zeta": 33.0368950818371, "sidechain_PHE": null, - "sidechain_LYS": 17, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 201, + "next": 214, "sidechain_SER": null, - "bm": 20.0, + "bm": 8.0, "xpr": false, - "prev": 199, + "prev": 204, "terminal_flag": false, - "phi": -107.97199538605, + "phi": -59.2953485610187, "chainID": "A", "sidechain_GLN": null, - "ome": 179.65577277056, - "chi2": -165.830863562787, - "chi3": -176.055677650615, - "chi1": -55.9962553842312, - "chi4": -158.198196709003, + "ome": -176.854043209626, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 121.653093723613, - "L4": 1.50391334182356, - "L5": 1.21881970001263, - "L2": 1.42228073677827, - "L3": 1.51624738073629, - "a7": 121.85840404319, - "L1": 1.31098493712357, + "a1": 119.96622638854, + "L4": 1.51080415601448, + "L5": 1.24192224909115, + "L2": 1.47269718916434, + "L3": 1.50789663960363, + "a7": 121.003513314663, + "L1": 1.31338681030486, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.825299340895, - "bs": 28.0, - "a2": 109.012641896921, - "a5": 120.394649846159, + "ss": "H", + "a3": 111.21109380414, + "bs": 9.0, + "a2": 110.384277451939, + "a5": 121.869835211965, "sidechain_LEU": null, - "chainIndex": 102, + "chainIndex": 78, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.004196376769 + "a4": 111.479897814813 } }, { - "pk": 201, + "pk": 209, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.952159133229, - "psi": 147.149841218368, - "oldID": "103", - "bg": 26.09, + "a6": 116.037212061672, + "psi": -168.249927338708, + "oldID": "64", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.5941287019915, + "protein": "3CGM", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 202, + "next": 211, "sidechain_SER": null, - "bm": 21.0, + "bm": 30.0, "xpr": false, - "prev": 200, + "prev": 206, "terminal_flag": false, - "phi": -119.820497001539, + "phi": 72.0157127922503, "chainID": "A", "sidechain_GLN": null, - "ome": 176.150344327857, - "chi2": -174.040133352167, - "chi3": -82.1630071837309, - "chi1": -52.5260288135144, + "ome": -177.275206878105, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 116.656400599031, - "L4": 1.50682291310453, - "L5": 1.21690662888216, - "L2": 1.45514835479931, - "L3": 1.53766041383384, - "a7": 123.492394832919, - "L1": 1.32693101488976, + "a1": 122.051437045002, + "L4": 1.52354957960043, + "L5": 1.23605501059353, + "L2": 1.44660006309766, + "L3": null, + "a7": 122.835634186345, + "L1": 1.33227401501664, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 17, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.362090113927, - "bs": 32.0, - "a2": 111.545736631313, - "a5": 119.554007392452, + "ss": "-", + "a3": 117.020670658992, + "bs": 0.0, + "a2": null, + "a5": 121.123463854885, "sidechain_LEU": null, - "chainIndex": 103, + "chainIndex": 64, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.536073407732 + "a4": null } }, { - "pk": 202, + "pk": 210, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.937680572436, - "psi": 146.630628060066, - "oldID": "104", - "bg": 13.93, + "a6": 116.665507054086, + "psi": 161.94848500011, + "oldID": "71", + "bg": 33.19, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 33.2595388595397, + "zeta": 35.2442912592773, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 4, "sidechain_THR": null, "sidechain_TRP": null, - "next": 203, + "next": 212, "sidechain_SER": null, - "bm": 17.0, + "bm": 29.0, "xpr": false, - "prev": 201, + "prev": 207, "terminal_flag": false, - "phi": -135.271695185026, + "phi": -82.1928351230962, "chainID": "A", - "sidechain_GLN": 8, - "ome": 179.195625498608, - "chi2": 80.7725565278439, - "chi3": 23.729830843616, - "chi1": -51.5976889111631, + "sidechain_GLN": null, + "ome": 179.687378260856, + "chi2": 173.873250807576, + "chi3": -73.441700132551, + "chi1": -70.788110254418, "chi4": null, "chi5": null, - "a1": 118.64300311948, - "L4": 1.53252867719785, - "L5": 1.22697057334041, - "L2": 1.46395073725858, - "L3": 1.57199693810847, - "a7": 121.923786502461, - "L1": 1.3347427913446, + "a1": 120.014032690193, + "L4": 1.49772182155669, + "L5": 1.20059206642513, + "L2": 1.46815784148586, + "L3": 1.53310068639295, + "a7": 123.19629038982, + "L1": 1.32695518698504, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.740417441327, - "bs": 21.0, - "a2": 112.213083521797, - "a5": 121.133946080619, + "ss": "-", + "a3": 108.484330475223, + "bs": 40.0, + "a2": 111.137368454999, + "a5": 120.130353319852, "sidechain_LEU": null, - "chainIndex": 104, + "chainIndex": 71, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.816613612358 + "a4": 108.744822555047 } }, { - "pk": 203, + "pk": 211, "model": "pgd_core.residue", "fields": { "aa": "p", "sidechain_PRO": 10, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.954790893618, - "psi": 143.829652436423, - "oldID": "105", - "bg": 30.53, + "a6": 116.106096822424, + "psi": 145.604382534641, + "oldID": "65", + "bg": 29.92, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 38.8318570265599, + "protein": "3CGM", + "zeta": 40.0668609333463, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 204, + "next": 213, "sidechain_SER": null, - "bm": 21.0, + "bm": 28.0, "xpr": false, - "prev": 202, + "prev": 209, "terminal_flag": false, - "phi": -49.7482296074439, + "phi": -69.4193697645981, "chainID": "A", "sidechain_GLN": null, - "ome": 177.184384140749, - "chi2": 41.1386493692426, - "chi3": -37.2337898558291, - "chi1": -27.4367034546388, - "chi4": 20.7286444463366, + "ome": 163.336344609936, + "chi2": -27.9119517745815, + "chi3": 25.0355018506768, + "chi1": 19.0459952997153, + "chi4": -13.2118950834228, "chi5": null, - "a1": 122.076848541697, - "L4": 1.54807511618324, - "L5": 1.2371194719224, - "L2": 1.46845882084112, - "L3": 1.52241243865344, - "a7": 122.374932468769, - "L1": 1.33982215808282, + "a1": 124.538648201372, + "L4": 1.51912015773169, + "L5": 1.24236713375405, + "L2": 1.45881327014836, + "L3": 1.53758087699201, + "a7": 123.585074697868, + "L1": 1.34139251990499, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 7.46771705935779, + "omep": -0.370760543439745, "ss": "-", - "a3": 109.604268857567, - "bs": 26.0, - "a2": 102.734691943159, - "a5": 121.634533834389, + "a3": 112.887251736021, + "bs": 29.0, + "a2": 103.636288824971, + "a5": 120.30857901522, "sidechain_LEU": null, - "chainIndex": 105, + "chainIndex": 65, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.932627080106 + "a4": 108.236936117429 } }, { - "pk": 204, + "pk": 212, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.063986954573, - "psi": -40.2151479046883, - "oldID": "106", - "bg": 0.0, + "a6": 116.120185323996, + "psi": -43.6367855133509, + "oldID": "72", + "bg": 42.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 36.381947271883, + "zeta": 34.4789505168942, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 205, + "next": 215, "sidechain_SER": null, - "bm": 23.0, + "bm": 33.0, "xpr": false, - "prev": 203, + "prev": 210, "terminal_flag": false, - "phi": -48.1187483292366, + "phi": -55.6304411995704, "chainID": "A", "sidechain_GLN": null, - "ome": 179.758095332024, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 179.405298756729, + "chi2": 171.436182634982, + "chi3": -16.3872809176322, + "chi1": 169.08055099135, "chi4": null, "chi5": null, - "a1": 123.156123560088, - "L4": 1.55000790850337, - "L5": 1.2229057001822, - "L2": 1.45028912020917, - "L3": 1.54896483308648, - "a7": 121.852267254867, - "L1": 1.32013920798383, + "a1": 120.570957176472, + "L4": 1.53269129147922, + "L5": 1.23686408718963, + "L2": 1.4410642062548, + "L3": 1.52379351930194, + "a7": 122.189102052535, + "L1": 1.31899132856618, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 22, "omep": null, - "ss": "G", - "a3": 113.998759162795, - "bs": 26.0, - "a2": 108.393036396868, - "a5": 120.011464273004, + "ss": "H", + "a3": 112.805817700428, + "bs": 49.0, + "a2": 107.26965636175, + "a5": 121.675824539771, "sidechain_LEU": null, - "chainIndex": 106, + "chainIndex": 72, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.403562668905 + "a4": 112.332905778235 } }, { - "pk": 205, + "pk": 213, "model": "pgd_core.residue", "fields": { "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.716617656768, - "psi": -6.74924357689835, - "oldID": "107", - "bg": 25.3, + "a6": 115.970604083341, + "psi": 90.0564926279102, + "oldID": "66", + "bg": 30.61, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.9371762166278, + "protein": "3CGM", + "zeta": 36.3373020327364, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 206, + "next": 216, "sidechain_SER": null, - "bm": 24.0, + "bm": 30.0, "xpr": false, - "prev": 204, + "prev": 211, "terminal_flag": false, - "phi": -69.8831016100815, + "phi": -79.2494095253281, "chainID": "A", "sidechain_GLN": null, - "ome": -179.144001524775, + "ome": -171.841991138542, "chi2": null, "chi3": null, - "chi1": 70.1452877912125, + "chi1": -172.63112641125, "chi4": null, "chi5": null, - "a1": 121.149627055089, - "L4": 1.52597099362971, - "L5": 1.24105838508606, - "L2": 1.46372469497193, - "L3": 1.53205926131684, - "a7": 123.980791085317, - "L1": 1.34007171557616, + "a1": 120.622606894361, + "L4": 1.51663317430307, + "L5": 1.24404289775778, + "L2": 1.4456725692643, + "L3": 1.52093528519735, + "a7": 123.062963563015, + "L1": 1.33011900808504, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 114.857837330229, - "bs": 21.0, - "a2": 111.518720264854, - "a5": 120.298812389726, + "ss": "-", + "a3": 106.610701663622, + "bs": 30.0, + "a2": 110.940084321138, + "a5": 120.963445801073, "sidechain_LEU": null, - "chainIndex": 107, - "sidechain_HIS": 6, + "chainIndex": 66, + "sidechain_HIS": 8, "h_bond_energy": 0.0, - "a4": 108.080128134257 + "a4": 107.541996405525 } }, { - "pk": 206, + "pk": 214, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.681772835337, - "psi": -4.79289486530662, - "oldID": "108", - "bg": 21.57, - "sidechain_CYS": 2, + "a6": 117.124593274139, + "psi": -24.1764113840524, + "oldID": "76", + "bg": 0.0, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.7061166531128, + "protein": "1MWQ", + "zeta": 34.0781337077583, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 207, + "next": 219, "sidechain_SER": null, - "bm": 19.0, + "bm": 10.0, "xpr": false, - "prev": 205, + "prev": 208, "terminal_flag": false, - "phi": -96.008027790032, + "phi": -64.8617990517798, "chainID": "A", "sidechain_GLN": null, - "ome": 177.472415419015, + "ome": -178.216275499849, "chi2": null, "chi3": null, - "chi1": -83.8588110717449, - "chi4": null, - "chi5": null, - "a1": 122.900020281088, - "L4": 1.49110249225054, - "L5": 1.23160294711266, - "L2": 1.46747907496253, - "L3": 1.5246034606331, - "a7": 123.093533625426, - "L1": 1.32978477202804, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 109.678716807207, - "bs": 17.0, - "a2": 110.369476263478, - "a5": 121.21740923287, - "sidechain_LEU": null, - "chainIndex": 108, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.386647828033 - } -}, -{ - "pk": 207, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": null, - "a6": 114.66645504469, - "psi": 153.392025967457, - "oldID": "109", - "bg": 17.75, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.2013348862409, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 2, - "next": 208, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 206, - "terminal_flag": false, - "phi": -102.756151692231, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.184651604686, - "chi2": 81.6868413773072, - "chi3": null, - "chi1": -81.8815994506597, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.746755043404, - "L4": 1.52853882519413, - "L5": 1.22414118183196, - "L2": 1.46429733050556, - "L3": 1.54134412327824, - "a7": 124.369457522029, - "L1": 1.34256197020262, + "a1": 123.94878832256, + "L4": 1.52746977255198, + "L5": 1.23529143725049, + "L2": 1.45542479296346, + "L3": 1.53098177966909, + "a7": 123.019153339265, + "L1": 1.32644195618315, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.636674691099, - "bs": 15.0, - "a2": 111.524984769494, - "a5": 120.881566620045, + "ss": "H", + "a3": 112.314144733654, + "bs": 13.0, + "a2": 110.307391378908, + "a5": 119.848649593275, "sidechain_LEU": null, - "chainIndex": 109, + "chainIndex": 79, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.464929137873 + "a4": 110.018941004798 } }, { - "pk": 208, + "pk": 215, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -75465,9 +63788,9 @@ "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.446144775197, - "psi": 126.538607050915, - "oldID": "110", + "a6": 117.481927335501, + "psi": -34.2084918166319, + "oldID": "73", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, @@ -75479,365 +63802,365 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 209, + "next": 218, "sidechain_SER": null, - "bm": 19.0, + "bm": 33.0, "xpr": false, - "prev": 207, + "prev": 212, "terminal_flag": false, - "phi": -137.095468544481, + "phi": -60.5392923602735, "chainID": "A", "sidechain_GLN": null, - "ome": 176.4674679732, + "ome": 179.474439038507, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 123.787656671288, - "L4": 1.52113314092215, - "L5": 1.21621284847305, - "L2": 1.44220227086365, + "a1": 120.014093458941, + "L4": 1.50340983658149, + "L5": 1.22987688667173, + "L2": 1.44882336109456, "L3": null, - "a7": 121.181615581913, - "L1": 1.32459667998497, + "a7": 122.018247154839, + "L1": 1.33250470494727, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.407923857716, + "ss": "H", + "a3": 115.064574397124, "bs": 0.0, "a2": null, - "a5": 120.347893719229, + "a5": 120.499697873593, "sidechain_LEU": null, - "chainIndex": 110, + "chainIndex": 73, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null } }, { - "pk": 209, + "pk": 216, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", - "sidechain_ASP": null, - "a6": 115.852718778705, - "psi": 147.445393254893, - "oldID": "111", - "bg": 24.47, + "chain": "3CGMA", + "sidechain_ASP": 12, + "a6": 117.740118817245, + "psi": 117.358991902558, + "oldID": "67", + "bg": 39.83, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 31.6698809604588, - "sidechain_PHE": 11, + "protein": "3CGM", + "zeta": 34.6825936232809, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 210, + "next": 217, "sidechain_SER": null, - "bm": 23.0, + "bm": 32.0, "xpr": false, - "prev": 208, + "prev": 213, "terminal_flag": false, - "phi": -158.47578969576, + "phi": -72.895521453602, "chainID": "A", "sidechain_GLN": null, - "ome": -178.487928341153, - "chi2": 80.4495574273215, + "ome": -177.351323248305, + "chi2": -10.4599063871044, "chi3": null, - "chi1": 47.6058167250505, + "chi1": -179.420954698946, "chi4": null, "chi5": null, - "a1": 119.866240306736, - "L4": 1.55063491337951, - "L5": 1.22854443390897, - "L2": 1.46250828658276, - "L3": 1.56627577819379, - "a7": 122.817255604224, - "L1": 1.33824267557168, + "a1": 122.834613920566, + "L4": 1.55730056093204, + "L5": 1.2394984843884, + "L2": 1.46593710334851, + "L3": 1.52032330203816, + "a7": 121.698128391016, + "L1": 1.32219487650028, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.764835649269, - "bs": 25.0, - "a2": 113.229840396018, - "a5": 121.282013463593, + "ss": "-", + "a3": 112.365650613946, + "bs": 39.0, + "a2": 107.581290932763, + "a5": 120.560177352339, "sidechain_LEU": null, - "chainIndex": 111, + "chainIndex": 67, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.297650689634 + "a4": 111.551138452676 } }, { - "pk": 210, + "pk": 217, "model": "pgd_core.residue", "fields": { - "aa": "r", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 11, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.839003062467, - "psi": 47.0759429915116, - "oldID": "112", - "bg": 30.36, + "a6": 118.314905677464, + "psi": -22.8466046955495, + "oldID": "68", + "bg": 38.4, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.4184992254258, + "protein": "3CGM", + "zeta": 39.050358546851, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 211, + "next": 220, "sidechain_SER": null, - "bm": 29.0, + "bm": 37.0, "xpr": false, - "prev": 209, + "prev": 216, "terminal_flag": false, - "phi": 44.7365798741595, + "phi": -57.4471112297215, "chainID": "A", "sidechain_GLN": null, - "ome": 179.484307278582, - "chi2": -173.853892453683, - "chi3": -74.0857494992854, - "chi1": -56.5170484658826, - "chi4": 99.8909518592556, - "chi5": -0.196806293029089, - "a1": 122.225201315363, - "L4": 1.52211931925747, - "L5": 1.20862838814526, - "L2": 1.45769665681054, - "L3": 1.50567639213405, - "a7": 122.373002517894, - "L1": 1.32406932642437, - "sidechain_ARG": 12, + "ome": -179.174627609608, + "chi2": -33.4146727787572, + "chi3": 32.9091103998804, + "chi1": 20.5928910322936, + "chi4": -20.8628917621174, + "chi5": null, + "a1": 117.306390664379, + "L4": 1.53600125670403, + "L5": 1.23857158729808, + "L2": 1.46280565081529, + "L3": 1.54738481540471, + "a7": 121.790634041395, + "L1": 1.35476581012229, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.418913228064, - "bs": 40.0, - "a2": 107.968904178874, - "a5": 120.769492279748, + "omep": 6.70720901891931, + "ss": "G", + "a3": 113.608028484637, + "bs": 36.0, + "a2": 103.742911709234, + "a5": 119.866330893634, "sidechain_LEU": null, - "chainIndex": 112, + "chainIndex": 68, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.1779789894 + "a4": 109.433913352301 } }, { - "pk": 211, + "pk": 218, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 120.136635494858, - "psi": -2.8015791526502, - "oldID": "113", - "bg": 0.0, + "a6": 115.172577137431, + "psi": -46.3817384009079, + "oldID": "74", + "bg": 32.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": null, + "zeta": 35.9047889411213, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 9, "sidechain_TRP": null, - "next": 212, + "next": 223, "sidechain_SER": null, - "bm": 30.0, + "bm": 27.0, "xpr": false, - "prev": 210, + "prev": 215, "terminal_flag": false, - "phi": 69.9944285709113, + "phi": -65.4353290377053, "chainID": "A", "sidechain_GLN": null, - "ome": 178.826215402904, + "ome": 178.277716056608, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -57.0874397006632, "chi4": null, "chi5": null, - "a1": 121.025010182448, - "L4": 1.53463095414161, - "L5": 1.21925425674918, - "L2": 1.45107331452677, - "L3": null, - "a7": 119.531008753914, - "L1": 1.3402703663728, + "a1": 121.136781047009, + "L4": 1.55295718289436, + "L5": 1.23234374313523, + "L2": 1.47591356112904, + "L3": 1.55136359994602, + "a7": 122.503540936254, + "L1": 1.326924634207, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 120.899547407029, - "bs": 0.0, - "a2": null, - "a5": 120.328550676743, + "ss": "H", + "a3": 111.800583354575, + "bs": 34.0, + "a2": 108.01254391528, + "a5": 122.319533660476, "sidechain_LEU": null, - "chainIndex": 113, + "chainIndex": 74, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.889695181443 } }, { - "pk": 212, + "pk": 219, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 114.481883094911, - "psi": 171.834192745988, - "oldID": "114", - "bg": 39.87, + "a6": 119.598549280047, + "psi": 0.81387702267748, + "oldID": "77", + "bg": 16.69, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 35.9813442803857, + "protein": "1MWQ", + "zeta": 33.7673374944138, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 5, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 213, + "next": 222, "sidechain_SER": null, - "bm": 33.0, + "bm": 9.0, "xpr": false, - "prev": 211, + "prev": 214, "terminal_flag": false, - "phi": -114.516745091579, + "phi": -90.6582960574552, "chainID": "A", - "sidechain_GLN": null, - "ome": 173.930422514889, - "chi2": 154.54533891928, - "chi3": -89.9649196379173, - "chi1": -42.1177643699597, + "sidechain_GLN": 11, + "ome": -178.845866964301, + "chi2": 156.302699890651, + "chi3": -168.906507629448, + "chi1": -64.9177965311806, "chi4": null, "chi5": null, - "a1": 118.178205457932, - "L4": 1.51311058284778, - "L5": 1.24161061906956, - "L2": 1.45944099083924, - "L3": 1.53182998002911, - "a7": 124.146917767159, - "L1": 1.31915638103589, + "a1": 124.945878276236, + "L4": 1.53102965845845, + "L5": 1.23486300177338, + "L2": 1.44954538557622, + "L3": 1.52981188048469, + "a7": 120.659160729243, + "L1": 1.3232457687394, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.554501440874, - "bs": 40.0, - "a2": 112.190606668555, - "a5": 121.360301514412, + "ss": "T", + "a3": 112.808986981965, + "bs": 20.0, + "a2": 110.254052042548, + "a5": 119.740621046639, "sidechain_LEU": null, - "chainIndex": 114, + "chainIndex": 80, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.942799616032 + "a4": 110.336742539115 } }, { - "pk": 213, + "pk": 220, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.104331758513, - "psi": 150.107743600717, - "oldID": "115", - "bg": 34.71, + "a6": 117.409837462197, + "psi": -9.65196317049768, + "oldID": "69", + "bg": 61.88, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 33.1782917286551, + "protein": "3CGM", + "zeta": 33.7050935941755, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 9, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 214, + "next": 221, "sidechain_SER": null, - "bm": 28.0, + "bm": 46.0, "xpr": false, - "prev": 212, + "prev": 217, "terminal_flag": false, - "phi": -93.5016897668916, + "phi": -78.0954397251573, "chainID": "A", "sidechain_GLN": null, - "ome": -178.322372750848, - "chi2": null, - "chi3": null, - "chi1": 46.1364298526169, + "ome": 171.81742004476, + "chi2": -178.764624186007, + "chi3": 32.2621155398131, + "chi1": -62.7655420094294, "chi4": null, "chi5": null, - "a1": 120.177435096695, - "L4": 1.52357036034468, - "L5": 1.25002833119996, - "L2": 1.42152380521922, - "L3": 1.55819102911238, - "a7": 123.073849702781, - "L1": 1.3246568167039, + "a1": 118.318959205049, + "L4": 1.51115953202889, + "L5": 1.21839135409624, + "L2": 1.45395630596157, + "L3": 1.50446590191997, + "a7": 122.841635603488, + "L1": 1.3290761413809, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 23, "omep": null, - "ss": "E", - "a3": 101.501949221835, - "bs": 31.0, - "a2": 112.435314690872, - "a5": 120.784138025441, + "ss": "G", + "a3": 111.873715942005, + "bs": 65.0, + "a2": 111.740418547065, + "a5": 119.74725390559, "sidechain_LEU": null, - "chainIndex": 115, + "chainIndex": 69, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.163423638623 + "a4": 109.023022599834 } }, { - "pk": 214, + "pk": 221, "model": "pgd_core.residue", "fields": { "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.538804212602, - "psi": -35.0958539906181, - "oldID": "116", + "a6": 118.97560197111, + "psi": 8.5125843098889, + "oldID": "70", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", + "protein": "3CGM", "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, @@ -75845,1768 +64168,1707 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 215, + "next": 224, "sidechain_SER": null, - "bm": 33.0, + "bm": 39.0, "xpr": false, - "prev": 213, + "prev": 220, "terminal_flag": false, - "phi": -52.1815317621749, + "phi": -77.7857570373108, "chainID": "A", "sidechain_GLN": null, - "ome": 179.138518015117, + "ome": 178.489127308709, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.421948140649, - "L4": 1.52694706005853, - "L5": 1.22539099597812, - "L2": 1.46060950491869, + "a1": 120.408517337281, + "L4": 1.50905177478193, + "L5": 1.19870576520513, + "L2": 1.44033688997209, "L3": null, - "a7": 122.206614465124, - "L1": 1.33008956281876, + "a7": 121.113511811919, + "L1": 1.33058287371833, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.895518363327, + "ss": "G", + "a3": 112.59385966165, "bs": 0.0, "a2": null, - "a5": 120.249631297726, + "a5": 119.9108446974, "sidechain_LEU": null, - "chainIndex": 116, + "chainIndex": 70, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null } }, { - "pk": 215, + "pk": 222, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": 13, - "a6": 116.154697993104, - "psi": -24.1424115451334, - "oldID": "117", - "bg": 35.73, + "a6": 119.349802926049, + "psi": 137.906951239203, + "oldID": "78", + "bg": 6.96, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 34.6849935270349, + "protein": "1MWQ", + "zeta": 35.1591533071117, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 216, + "next": 225, "sidechain_SER": null, - "bm": 29.0, + "bm": 7.0, "xpr": false, - "prev": 214, + "prev": 219, "terminal_flag": false, - "phi": -69.6400375092549, + "phi": -59.773965051801, "chainID": "A", "sidechain_GLN": null, - "ome": 179.7287981849, - "chi2": -43.4212578810139, + "ome": 172.895182790662, + "chi2": -76.3184513018331, "chi3": null, - "chi1": 58.6953382765956, + "chi1": -157.022289562431, "chi4": null, "chi5": null, - "a1": 120.271412594532, - "L4": 1.53609935574635, - "L5": 1.23258182496831, - "L2": 1.46006850336052, - "L3": 1.50755032318424, - "a7": 122.681816219413, - "L1": 1.32230129390526, + "a1": 119.025629532792, + "L4": 1.52931367534449, + "L5": 1.25661859876663, + "L2": 1.45847094944857, + "L3": 1.53099872443157, + "a7": 121.907974188497, + "L1": 1.33415337969772, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.768153434623, - "bs": 34.0, - "a2": 110.136903764105, - "a5": 121.159223123503, + "ss": "-", + "a3": 109.466235583577, + "bs": 7.0, + "a2": 110.556354069816, + "a5": 118.692776936365, "sidechain_LEU": null, - "chainIndex": 117, + "chainIndex": 81, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.860778667709 + "a4": 109.036382471379 } }, { - "pk": 216, + "pk": 223, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.082126270866, - "psi": -23.3030690174736, - "oldID": "118", - "bg": 34.51, + "a6": 117.91657567279, + "psi": -44.068751949051, + "oldID": "75", + "bg": 21.44, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1MWW", - "zeta": 36.7479762641447, + "zeta": 33.8683448195504, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 13, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 217, + "next": 227, "sidechain_SER": null, - "bm": 35.0, + "bm": 27.0, "xpr": false, - "prev": 215, + "prev": 218, "terminal_flag": false, - "phi": -83.8635820792607, + "phi": -62.2373127956058, "chainID": "A", "sidechain_GLN": null, - "ome": -175.484455355283, - "chi2": -176.799935156988, - "chi3": -34.6872340159695, - "chi1": -60.8485430032017, - "chi4": null, + "ome": 176.943050740511, + "chi2": 172.944942388855, + "chi3": -76.0751027589322, + "chi1": -73.7747842416009, + "chi4": -179.584145662195, "chi5": null, - "a1": 121.89527469957, - "L4": 1.4722253251737, - "L5": 1.20214357197202, - "L2": 1.44456541171801, - "L3": 1.51392375789387, - "a7": 122.50466650038, - "L1": 1.32032007061684, + "a1": 121.576078600683, + "L4": 1.54836261369585, + "L5": 1.22774937360674, + "L2": 1.45766385482996, + "L3": 1.5362964679607, + "a7": 122.048285921641, + "L1": 1.32937401160996, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 18, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.283490848153, - "bs": 36.0, - "a2": 112.191602160799, - "a5": 119.405644052107, + "ss": "H", + "a3": 111.451102379852, + "bs": 21.0, + "a2": 108.388926015319, + "a5": 120.029801682809, "sidechain_LEU": null, - "chainIndex": 118, + "chainIndex": 75, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 104.772776873272 + "a4": 112.449041678269 } }, { - "pk": 217, + "pk": 224, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "3CGMA", "sidechain_ASP": null, - "a6": 111.74140637024, - "psi": 121.500076795457, - "oldID": "119", - "bg": 0.0, + "a6": 117.586543406293, + "psi": 111.484091042074, + "oldID": "71", + "bg": 42.05, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 30.947984135866, + "protein": "3CGM", + "zeta": 33.0496425199083, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 13, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 218, + "next": 226, "sidechain_SER": null, - "bm": 42.0, + "bm": 44.0, "xpr": false, - "prev": 216, + "prev": 221, "terminal_flag": false, - "phi": -59.7823686782185, + "phi": -110.588129703264, "chainID": "A", "sidechain_GLN": null, - "ome": -178.730141213141, + "ome": -168.879986660048, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -175.771436751729, "chi4": null, "chi5": null, - "a1": 117.530992517976, - "L4": 1.5538315446311, - "L5": 1.24040406407049, - "L2": 1.44507309455296, - "L3": 1.5051992410685, - "a7": 125.088712345554, - "L1": 1.31948622490464, + "a1": 118.78610906094, + "L4": 1.50741546062371, + "L5": 1.21735734414812, + "L2": 1.45589323003996, + "L3": 1.55390932529134, + "a7": 122.488260428198, + "L1": 1.32653875622905, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 116.853469937144, - "bs": 32.0, - "a2": 110.186553009788, - "a5": 123.167343116839, + "ss": "E", + "a3": 105.97509077417, + "bs": 40.0, + "a2": 112.656083146751, + "a5": 119.900019398174, "sidechain_LEU": null, - "chainIndex": 119, + "chainIndex": 71, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.090269447367 + "a4": 111.574917738017 } }, { - "pk": 218, + "pk": 225, "model": "pgd_core.residue", "fields": { - "aa": "r", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 12, "sidechain_ASN": null, - "chain": "1MWWA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": null, - "psi": null, - "oldID": "120", - "bg": 51.76, + "a6": 118.224067399383, + "psi": -31.4752535504981, + "oldID": "79", + "bg": 10.25, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1MWW", - "zeta": 32.9203279185939, + "protein": "1MWQ", + "zeta": 35.7858664391402, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": null, + "next": 230, "sidechain_SER": null, - "bm": 49.0, + "bm": 7.0, "xpr": false, - "prev": 217, - "terminal_flag": true, - "phi": 47.1938654556232, + "prev": 222, + "terminal_flag": false, + "phi": -51.8835506998387, "chainID": "A", "sidechain_GLN": null, - "ome": null, - "chi2": 168.351970164844, - "chi3": -52.6815605517586, - "chi1": -57.217713607045, - "chi4": -157.331416188022, - "chi5": -0.238267001695937, - "a1": 128.268673972268, - "L4": 1.52284682568492, - "L5": 1.28569106344622, - "L2": 1.46948140958101, - "L3": 1.54334048817291, - "a7": null, - "L1": 1.33786098075425, - "sidechain_ARG": 13, + "ome": 177.240784330112, + "chi2": 36.9381295632546, + "chi3": -29.3294957256197, + "chi1": -29.1316582774048, + "chi4": 11.7221107503142, + "chi5": null, + "a1": 121.720481058998, + "L4": 1.53194153271129, + "L5": 1.23881702873428, + "L2": 1.47791479500564, + "L3": 1.50864322903639, + "a7": 122.180030089686, + "L1": 1.30431640032202, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.36579821209, - "bs": 55.0, - "a2": 109.972679696234, - "a5": 120.713177586472, + "omep": -14.310300517212, + "ss": "H", + "a3": 112.204990824683, + "bs": 9.0, + "a2": 102.822026657792, + "a5": 119.541452441997, "sidechain_LEU": null, - "chainIndex": 120, + "chainIndex": 82, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.618782541482 + "a4": 114.575271538352 } }, { - "pk": 219, + "pk": 226, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.551147095252, - "psi": -179.839053984519, - "oldID": "1", - "bg": 39.27, + "a6": 116.915425454878, + "psi": 161.54022951084, + "oldID": "72", + "bg": 55.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.0078861509485, + "zeta": 34.2608025587065, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 6, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 220, + "next": 229, "sidechain_SER": null, - "bm": 38.0, + "bm": 50.0, "xpr": false, - "prev": null, + "prev": 224, "terminal_flag": false, - "phi": null, + "phi": -131.315097837174, "chainID": "A", - "sidechain_GLN": null, - "ome": -173.435001390967, - "chi2": 177.545315932056, - "chi3": 72.5471496191458, - "chi1": 34.8665537085801, + "sidechain_GLN": 12, + "ome": 177.646954721032, + "chi2": -69.0907472666498, + "chi3": -31.5984082757712, + "chi1": -65.5144027869027, "chi4": null, "chi5": null, - "a1": null, - "L4": 1.51352924897894, - "L5": 1.23340172412571, - "L2": 1.50039909240108, - "L3": 1.54428329152761, - "a7": 123.166899932004, - "L1": null, + "a1": 119.981536484583, + "L4": 1.51686658599811, + "L5": 1.22990430474573, + "L2": 1.46681105751743, + "L3": 1.52940402361514, + "a7": 122.069177616589, + "L1": 1.32949362154172, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.982214513961, - "bs": 39.0, - "a2": 111.372357116835, - "a5": 120.281809712029, + "ss": "E", + "a3": 111.930721233958, + "bs": 59.0, + "a2": 110.436997400066, + "a5": 121.015251019835, "sidechain_LEU": null, - "chainIndex": 1, + "chainIndex": 72, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.838697423363 + "a4": 109.729002326431 } }, { - "pk": 220, + "pk": 227, "model": "pgd_core.residue", "fields": { "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.253157332582, - "psi": 153.474740000479, - "oldID": "2", - "bg": 43.62, + "a6": 115.956737166082, + "psi": -40.1662024223847, + "oldID": "76", + "bg": 22.57, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.8811496778411, + "protein": "1MWW", + "zeta": 34.8523196891945, "sidechain_PHE": null, - "sidechain_LYS": 18, + "sidechain_LYS": 14, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 221, + "next": 228, "sidechain_SER": null, - "bm": 34.0, + "bm": 26.0, "xpr": false, - "prev": 219, + "prev": 223, "terminal_flag": false, - "phi": -101.839821403713, + "phi": -57.8719688162541, "chainID": "A", "sidechain_GLN": null, - "ome": 176.999607079163, - "chi2": 172.995097815115, - "chi3": -39.4506200641903, - "chi1": -69.1467961904231, - "chi4": -139.487794122305, + "ome": -178.575869610261, + "chi2": 172.744190439858, + "chi3": 69.1946841613616, + "chi1": -54.8555691091669, + "chi4": 158.269902450222, "chi5": null, - "a1": 121.47601364906, - "L4": 1.51698404798257, - "L5": 1.21405137262601, - "L2": 1.4700142023986, - "L3": 1.53326947555693, - "a7": 122.176019895009, - "L1": 1.32931947215445, + "a1": 121.098700351459, + "L4": 1.51745541109747, + "L5": 1.2518106092387, + "L2": 1.49184900103113, + "L3": 1.53279929812872, + "a7": 122.260453296631, + "L1": 1.3445977362828, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 111.646827506006, - "bs": 47.0, - "a2": 110.740315181763, - "a5": 120.513995352723, + "ss": "H", + "a3": 110.421473454405, + "bs": 29.0, + "a2": 110.497966292923, + "a5": 121.782659343009, "sidechain_LEU": null, - "chainIndex": 2, + "chainIndex": 76, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.660613566525 + "a4": 109.158493323951 } }, { - "pk": 221, + "pk": 228, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.276261446843, - "psi": 136.493403761901, - "oldID": "3", - "bg": 24.69, + "a6": 115.030982008669, + "psi": -47.5106984391651, + "oldID": "77", + "bg": 41.02, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.4422074810116, + "protein": "1MWW", + "zeta": 34.3711309012774, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 13, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 222, + "next": 231, "sidechain_SER": null, - "bm": 29.0, + "bm": 28.0, "xpr": false, - "prev": 220, + "prev": 227, "terminal_flag": false, - "phi": -68.2321538214424, + "phi": -59.3266109698676, "chainID": "A", "sidechain_GLN": null, - "ome": 171.062232894779, - "chi2": null, - "chi3": null, - "chi1": 173.519317242756, - "chi4": null, - "chi5": null, - "a1": 120.290366659967, - "L4": 1.52197361627648, - "L5": 1.24416637194161, - "L2": 1.44540094457449, - "L3": 1.55441408172822, - "a7": 122.82406522439, - "L1": 1.32582014768914, - "sidechain_ARG": null, + "ome": 178.983699818832, + "chi2": -167.187447884824, + "chi3": -36.3451279211989, + "chi1": -178.631131330541, + "chi4": 128.61358249734, + "chi5": 0.909296363100793, + "a1": 120.370685075192, + "L4": 1.510202388066, + "L5": 1.23506256654592, + "L2": 1.46949082489466, + "L3": 1.54534583758152, + "a7": 123.083419858329, + "L1": 1.3445391255796, + "sidechain_ARG": 13, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.790605971741, - "bs": 24.0, - "a2": 111.954409293732, - "a5": 120.89960258148, + "ss": "H", + "a3": 109.797598543885, + "bs": 46.0, + "a2": 111.075936377587, + "a5": 121.883115854714, "sidechain_LEU": null, - "chainIndex": 3, + "chainIndex": 77, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.591975597596 + "a4": 109.797086480913 } }, { - "pk": 222, + "pk": 229, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.764192214571, - "psi": -173.714463812135, - "oldID": "4", - "bg": 0.0, + "a6": 117.466552447767, + "psi": 130.051506338538, + "oldID": "73", + "bg": 62.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": null, + "zeta": 33.5401060967307, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 14, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 223, + "next": 232, "sidechain_SER": null, - "bm": 29.0, + "bm": 59.0, "xpr": false, - "prev": 221, + "prev": 226, "terminal_flag": false, - "phi": -174.815808294919, + "phi": -99.3036477165559, "chainID": "A", "sidechain_GLN": null, - "ome": -175.769077731785, + "ome": -179.345950737796, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 178.084088481894, "chi4": null, "chi5": null, - "a1": 121.046703674356, - "L4": 1.51724000311765, - "L5": 1.24422390786801, - "L2": 1.46799815020655, - "L3": null, - "a7": 122.606013157638, - "L1": 1.32907840169442, + "a1": 119.247399754359, + "L4": 1.52561666898172, + "L5": 1.22426993127741, + "L2": 1.45279436018169, + "L3": 1.55740319216845, + "a7": 123.166044853056, + "L1": 1.32155735462854, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 114.105525895173, - "bs": 0.0, - "a2": null, - "a5": 121.629779379894, + "ss": "E", + "a3": 107.697028860049, + "bs": 61.0, + "a2": 111.664381413546, + "a5": 119.364416030937, "sidechain_LEU": null, - "chainIndex": 4, + "chainIndex": 73, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 111.241842313105 } }, { - "pk": 223, + "pk": 230, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.770752824151, - "psi": 129.6433858712, - "oldID": "5", - "bg": 36.06, + "a6": 118.254491597443, + "psi": -17.401635211118, + "oldID": "80", + "bg": 7.11, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.9077799607286, + "protein": "1MWQ", + "zeta": 31.5124483643051, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 224, + "next": 235, "sidechain_SER": null, - "bm": 30.0, + "bm": 7.0, "xpr": false, - "prev": 222, + "prev": 225, "terminal_flag": false, - "phi": -45.5632488200468, + "phi": -64.2138376001611, "chainID": "A", - "sidechain_GLN": 9, - "ome": 173.749882930687, - "chi2": 70.2411273915483, - "chi3": 50.1767623284865, - "chi1": -178.35184992461, + "sidechain_GLN": null, + "ome": 172.228838919264, + "chi2": -24.863704201815, + "chi3": null, + "chi1": -73.8085269737837, "chi4": null, "chi5": null, - "a1": 120.647217285339, - "L4": 1.5306200294214, - "L5": 1.22184921258435, - "L2": 1.45819680551295, - "L3": 1.54270283208565, - "a7": 122.371390965612, - "L1": 1.32449401102622, + "a1": 121.495258983679, + "L4": 1.52731694543735, + "L5": 1.23256712030777, + "L2": 1.45298166529456, + "L3": 1.51008637415336, + "a7": 122.667133906261, + "L1": 1.33447597662287, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 10, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.530718270554, - "bs": 36.0, - "a2": 109.430357776902, - "a5": 120.840487834772, + "ss": "H", + "a3": 114.459731075668, + "bs": 8.0, + "a2": 110.273355047671, + "a5": 119.055204146533, "sidechain_LEU": null, - "chainIndex": 5, + "chainIndex": 83, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.386862601992 + "a4": 112.45023702476 } }, { - "pk": 224, + "pk": 231, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": 14, - "a6": 119.008982674511, - "psi": 15.4286893331621, - "oldID": "6", - "bg": 36.41, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 117.020505221197, + "psi": -51.167749983878, + "oldID": "78", + "bg": 29.26, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.2290595734864, + "protein": "1MWW", + "zeta": 35.7245128269943, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 225, + "next": 233, "sidechain_SER": null, - "bm": 30.0, + "bm": 24.0, "xpr": false, - "prev": 223, + "prev": 228, "terminal_flag": false, - "phi": 67.3108916187193, + "phi": -55.6950572842367, "chainID": "A", "sidechain_GLN": null, - "ome": 166.647519888078, - "chi2": -18.6912068387947, + "ome": -179.446309090379, + "chi2": -167.300613687975, "chi3": null, - "chi1": -61.6574410250696, + "chi1": -143.249982681125, "chi4": null, "chi5": null, - "a1": 122.312428178634, - "L4": 1.51981722780022, - "L5": 1.23431044913568, - "L2": 1.47815748743609, - "L3": 1.53376324231114, - "a7": 122.22421234189, - "L1": 1.32858092648262, + "a1": 121.494652197186, + "L4": 1.51569305362459, + "L5": 1.22353289769593, + "L2": 1.46671137722763, + "L3": 1.53500815827394, + "a7": 122.918090428346, + "L1": 1.32978551619983, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 117.001929229278, - "bs": 36.0, - "a2": 111.594609200193, - "a5": 118.757076753091, - "sidechain_LEU": null, - "chainIndex": 6, + "ss": "H", + "a3": 109.842170875861, + "bs": 26.0, + "a2": 110.541123516678, + "a5": 120.041430222839, + "sidechain_LEU": 25, + "chainIndex": 78, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.078661012354 + "a4": 108.191559008275 } }, { - "pk": 225, + "pk": 232, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.965938161561, - "psi": 153.528923965584, - "oldID": "7", - "bg": 29.0, + "a6": 118.001178991297, + "psi": 154.153281223209, + "oldID": "74", + "bg": 53.29, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.3577681330968, + "zeta": 33.5360677285412, "sidechain_PHE": null, - "sidechain_LYS": 19, - "sidechain_VAL": null, + "sidechain_LYS": null, + "sidechain_VAL": 15, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 226, + "next": 234, "sidechain_SER": null, - "bm": 27.0, + "bm": 55.0, "xpr": false, - "prev": 224, + "prev": 229, "terminal_flag": false, - "phi": -85.9906102969986, + "phi": -134.432968061019, "chainID": "A", "sidechain_GLN": null, - "ome": 167.780899168534, - "chi2": -69.0037704663929, - "chi3": -162.694561600081, - "chi1": -55.716488074401, - "chi4": -77.0369050000447, + "ome": -177.075217069063, + "chi2": null, + "chi3": null, + "chi1": -53.351419335033, + "chi4": null, "chi5": null, - "a1": 120.530390769616, - "L4": 1.54635061534165, - "L5": 1.2430500407553, - "L2": 1.47065471179, - "L3": 1.52348534362966, - "a7": 121.953207275883, - "L1": 1.33115619630621, + "a1": 123.11132797542, + "L4": 1.53113530148346, + "L5": 1.23138241739528, + "L2": 1.48012058845433, + "L3": 1.54824050564966, + "a7": 122.082454597281, + "L1": 1.33728991199615, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.647733164272, - "bs": 31.0, - "a2": 110.247488734927, - "a5": 120.980877904125, + "a3": 109.943550933119, + "bs": 52.0, + "a2": 112.181739087532, + "a5": 119.904297274067, "sidechain_LEU": null, - "chainIndex": 7, + "chainIndex": 74, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.490865227609 + "a4": 109.680734663019 } }, { - "pk": 226, + "pk": 233, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.027810222035, - "psi": 118.787682031796, - "oldID": "8", - "bg": 27.64, + "a6": 114.432991240141, + "psi": -48.6900076668896, + "oldID": "79", + "bg": 15.25, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.1252687544005, + "sidechain_ILE": 13, + "protein": "1MWW", + "zeta": 33.8927992983388, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 14, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 227, + "next": 236, "sidechain_SER": null, - "bm": 26.0, + "bm": 22.0, "xpr": false, - "prev": 225, + "prev": 231, "terminal_flag": false, - "phi": -102.424560489116, + "phi": -57.487200978413, "chainID": "A", "sidechain_GLN": null, - "ome": -172.331897313337, - "chi2": null, + "ome": 178.739012351617, + "chi2": 144.359847740328, "chi3": null, - "chi1": 167.793936634782, + "chi1": -78.5086422690859, "chi4": null, "chi5": null, - "a1": 120.830568997796, - "L4": 1.51818057684544, - "L5": 1.24677757145728, - "L2": 1.43949035143178, - "L3": 1.53172160957821, - "a7": 123.314366941615, - "L1": 1.32907375189123, + "a1": 119.840964393135, + "L4": 1.55755381696417, + "L5": 1.2708273518778, + "L2": 1.48142638978412, + "L3": 1.60073328565244, + "a7": 123.439123240064, + "L1": 1.34149356159229, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.608573711943, - "bs": 28.0, - "a2": 111.917482715352, - "a5": 121.621828987659, + "ss": "H", + "a3": 109.343254353025, + "bs": 21.0, + "a2": 111.022367087726, + "a5": 122.127498195776, "sidechain_LEU": null, - "chainIndex": 8, + "chainIndex": 79, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.514415079627 + "a4": 110.981443860685 } }, { - "pk": 227, + "pk": 234, "model": "pgd_core.residue", "fields": { - "aa": "v", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 13, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.102060114453, - "psi": 134.528454363405, - "oldID": "9", - "bg": 24.43, + "a6": 116.103338739674, + "psi": 147.680724351752, + "oldID": "75", + "bg": 63.13, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.3241165409804, + "zeta": 37.5659519842292, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 15, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 228, + "next": 237, "sidechain_SER": null, - "bm": 26.0, + "bm": 55.0, "xpr": false, - "prev": 226, + "prev": 232, "terminal_flag": false, - "phi": -111.710581214196, + "phi": -73.7911961666401, "chainID": "A", "sidechain_GLN": null, - "ome": 174.546403364915, - "chi2": null, - "chi3": null, - "chi1": -172.259060013065, - "chi4": null, + "ome": 174.14997741902, + "chi2": -30.6798620978369, + "chi3": 24.085113243682, + "chi1": 24.1675824988654, + "chi4": -8.46843723503696, "chi5": null, - "a1": 122.605131993289, - "L4": 1.51921348275847, - "L5": 1.24001980627343, - "L2": 1.45970482024755, - "L3": 1.5318165614859, - "a7": 122.282489194203, - "L1": 1.32295885339593, + "a1": 116.246088056567, + "L4": 1.55215647938504, + "L5": 1.23506488700659, + "L2": 1.47842568066739, + "L3": 1.53442122823203, + "a7": 123.325415483408, + "L1": 1.34775453307335, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -2.84315848415825, "ss": "E", - "a3": 110.047742419899, - "bs": 24.0, - "a2": 110.419518250519, - "a5": 121.603703234073, + "a3": 114.026354246164, + "bs": 61.0, + "a2": 103.40385816364, + "a5": 120.570268635904, "sidechain_LEU": null, - "chainIndex": 9, + "chainIndex": 75, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.30063947802 + "a4": 111.35514734286 } }, { - "pk": 228, + "pk": 235, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.897873534891, - "psi": 128.116558206496, - "oldID": "10", - "bg": 30.39, + "a6": 117.558193051636, + "psi": -60.1871884504967, + "oldID": "81", + "bg": 11.02, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.0605545348744, + "protein": "1MWQ", + "zeta": 31.7407600693348, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 16, "sidechain_MET": null, - "sidechain_THR": 10, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 229, + "next": 243, "sidechain_SER": null, - "bm": 29.0, + "bm": 8.0, "xpr": false, - "prev": 227, + "prev": 230, "terminal_flag": false, - "phi": -106.206639407101, + "phi": -72.3320058349303, "chainID": "A", "sidechain_GLN": null, - "ome": 176.401846448792, + "ome": -179.380223988725, "chi2": null, "chi3": null, - "chi1": -55.3343707600071, + "chi1": 176.367966523282, "chi4": null, "chi5": null, - "a1": 120.584736020314, - "L4": 1.52113082015553, - "L5": 1.2504415616979, - "L2": 1.46668892373208, - "L3": 1.52316877524165, - "a7": 123.863815799849, - "L1": 1.32042410461543, + "a1": 121.309944282428, + "L4": 1.52568370837025, + "L5": 1.23507036032956, + "L2": 1.47890399753089, + "L3": 1.52663460859672, + "a7": 120.835522311598, + "L1": 1.31852528048525, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.748982087805, - "bs": 29.0, - "a2": 110.331879485553, - "a5": 120.238129089392, + "ss": "H", + "a3": 110.387341033726, + "bs": 10.0, + "a2": 111.055576999364, + "a5": 121.546501799599, "sidechain_LEU": null, - "chainIndex": 10, + "chainIndex": 84, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.998235071467 + "a4": 113.002895749171 } }, { - "pk": 229, + "pk": 236, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 114.632321127357, - "psi": 151.333921444145, - "oldID": "11", - "bg": 25.59, + "a6": 116.877202769026, + "psi": -47.4214313794976, + "oldID": "80", + "bg": 34.53, "sidechain_CYS": null, - "sidechain_ILE": 16, - "protein": "3CGM", - "zeta": 33.8364192148458, + "sidechain_ILE": null, + "protein": "1MWW", + "zeta": 34.7110337857208, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 15, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 230, + "next": 239, "sidechain_SER": null, - "bm": 28.0, + "bm": 24.0, "xpr": false, - "prev": 228, + "prev": 233, "terminal_flag": false, - "phi": -126.78155840893, + "phi": -55.1315406035662, "chainID": "A", "sidechain_GLN": null, - "ome": 166.78553638623, - "chi2": 173.527031394668, - "chi3": null, - "chi1": 63.1355279567329, - "chi4": null, + "ome": 179.995863893328, + "chi2": 55.5985272016199, + "chi3": 154.74846444134, + "chi1": -119.209285771508, + "chi4": -71.8893118112289, "chi5": null, - "a1": 120.311526808106, - "L4": 1.50718005385456, - "L5": 1.22998522468982, - "L2": 1.45439379141422, - "L3": 1.54041222305258, - "a7": 123.259580300439, - "L1": 1.3459079810553, + "a1": 121.729346510744, + "L4": 1.55437796224995, + "L5": 1.25483946237071, + "L2": 1.48063377857258, + "L3": 1.53280463043721, + "a7": 121.29274522017, + "L1": 1.33247909737472, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 114.712024460397, - "bs": 25.0, - "a2": 112.363091660186, - "a5": 122.10745534692, + "ss": "H", + "a3": 111.583878518242, + "bs": 37.0, + "a2": 108.326461223095, + "a5": 121.718506433274, "sidechain_LEU": null, - "chainIndex": 11, + "chainIndex": 80, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.63133553409 + "a4": 111.064957730509 } }, { - "pk": 230, + "pk": 237, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.441850434411, - "psi": 136.445422829049, - "oldID": "12", - "bg": 37.57, + "a6": 117.181109301511, + "psi": -41.312045388125, + "oldID": "76", + "bg": 48.3, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.1342042734557, + "zeta": 34.2065694667495, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 231, + "next": 238, "sidechain_SER": null, - "bm": 31.0, + "bm": 50.0, "xpr": false, - "prev": 229, + "prev": 234, "terminal_flag": false, - "phi": -111.479862691292, + "phi": -48.5209179207838, "chainID": "A", "sidechain_GLN": null, - "ome": -170.325225359875, - "chi2": 162.133046281921, - "chi3": -144.682405564914, - "chi1": -91.6443545827591, - "chi4": 159.790195882041, - "chi5": -0.492876374723227, - "a1": 122.10264821881, - "L4": 1.50028614080286, - "L5": 1.22249764324404, - "L2": 1.44287255246232, - "L3": 1.50781438119443, - "a7": 122.502728119515, - "L1": 1.32227395198395, - "sidechain_ARG": 14, + "ome": -177.114844339178, + "chi2": 49.9997565244307, + "chi3": null, + "chi1": -169.898251019671, + "chi4": null, + "chi5": null, + "a1": 123.705263511236, + "L4": 1.53157908170698, + "L5": 1.225384740545, + "L2": 1.44942009053632, + "L3": 1.5304761445518, + "a7": 122.233279856517, + "L1": 1.33725410921536, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 104.649565346191, - "bs": 43.0, - "a2": 111.07307988692, - "a5": 119.987780171527, - "sidechain_LEU": null, - "chainIndex": 12, + "ss": "G", + "a3": 113.083774447186, + "bs": 48.0, + "a2": 109.640649551703, + "a5": 120.576611697178, + "sidechain_LEU": 26, + "chainIndex": 76, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.377908484428 + "a4": 110.272843724825 } }, { - "pk": 231, + "pk": 238, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 113.764558885826, - "psi": 158.88310386955, - "oldID": "13", - "bg": 32.7, + "a6": 116.624553429409, + "psi": -12.5520015664059, + "oldID": "77", + "bg": 70.3, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.8616255904007, + "zeta": 33.5510335692261, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 232, - "sidechain_SER": null, - "bm": 32.0, + "next": 240, + "sidechain_SER": 7, + "bm": 61.0, "xpr": false, - "prev": 230, + "prev": 237, "terminal_flag": false, - "phi": -148.660213504253, + "phi": -65.0043242467041, "chainID": "A", "sidechain_GLN": null, - "ome": 167.893141561604, - "chi2": -86.6120947347676, + "ome": 173.039957700769, + "chi2": null, "chi3": null, - "chi1": 66.2474343833613, + "chi1": 19.4542565328749, "chi4": null, "chi5": null, - "a1": 119.742404782368, - "L4": 1.51581225598907, - "L5": 1.2467190972259, - "L2": 1.45248842799569, - "L3": 1.54604093415197, - "a7": 124.430443181368, - "L1": 1.31954674154426, + "a1": 121.391231323763, + "L4": 1.52196271819148, + "L5": 1.22654339185288, + "L2": 1.46460660736734, + "L3": 1.51919301284765, + "a7": 122.815391624223, + "L1": 1.32563829228548, "sidechain_ARG": null, - "sidechain_TYR": 10, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.922873450295, - "bs": 34.0, - "a2": 110.849289170986, - "a5": 121.789509654439, + "ss": "G", + "a3": 113.505035067482, + "bs": 68.0, + "a2": 109.886496462285, + "a5": 120.560048209536, "sidechain_LEU": null, - "chainIndex": 13, + "chainIndex": 77, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.063048856116 + "a4": 110.601126470041 } }, { - "pk": 232, + "pk": 239, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.770017552935, - "psi": 123.708890006047, - "oldID": "14", - "bg": 37.71, + "a6": 116.651440285183, + "psi": -43.1744313841788, + "oldID": "81", + "bg": 37.04, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.642972263304, + "protein": "1MWW", + "zeta": 34.1298575741557, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 11, + "sidechain_MET": 5, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 233, + "next": 241, "sidechain_SER": null, - "bm": 35.0, + "bm": 33.0, "xpr": false, - "prev": 231, + "prev": 236, "terminal_flag": false, - "phi": -129.660111811254, + "phi": -65.8325149718036, "chainID": "A", "sidechain_GLN": null, - "ome": 178.945813665382, - "chi2": null, - "chi3": null, - "chi1": -75.9150425204563, - "chi4": null, + "ome": 179.904255824871, + "chi2": 178.742215084097, + "chi3": 39.8150310258178, + "chi1": -52.7766227490104, + "chi4": null, "chi5": null, - "a1": 123.59382499053, - "L4": 1.532156979302, - "L5": 1.25270004888842, - "L2": 1.45036450386201, - "L3": 1.52393832777823, - "a7": 123.582519069178, - "L1": 1.32822917224745, + "a1": 118.832791474977, + "L4": 1.50038611640713, + "L5": 1.25847354214031, + "L2": 1.46690849995887, + "L3": 1.52694191625573, + "a7": 122.29038454723, + "L1": 1.33665241752127, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.561472374283, - "bs": 37.0, - "a2": 110.638967405984, - "a5": 120.593835874058, + "ss": "H", + "a3": 111.166507429181, + "bs": 39.0, + "a2": 111.4210945856, + "a5": 121.053578247806, "sidechain_LEU": null, - "chainIndex": 14, + "chainIndex": 81, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.875740684421 + "a4": 109.224986252883 } }, { - "pk": 233, + "pk": 240, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.776126816593, - "psi": 124.246079005562, - "oldID": "15", - "bg": 34.22, + "a6": 117.663084110816, + "psi": -26.6474080592872, + "oldID": "78", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.9818092537201, + "zeta": 34.2192555962916, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 234, + "next": 242, "sidechain_SER": null, - "bm": 34.0, + "bm": 59.0, "xpr": false, - "prev": 232, + "prev": 238, "terminal_flag": false, - "phi": -104.737147135562, + "phi": -64.6260127345464, "chainID": "A", "sidechain_GLN": null, - "ome": -179.841671267242, - "chi2": 56.7281405260655, + "ome": 176.334404964525, + "chi2": null, "chi3": null, - "chi1": 164.368912301309, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.44735860881, - "L4": 1.50010751509223, - "L5": 1.21631965070232, - "L2": 1.45194239568136, - "L3": 1.52544554786929, - "a7": 122.690816923766, - "L1": 1.33147354069232, + "a1": 121.850061036874, + "L4": 1.53952335194042, + "L5": 1.22012674167444, + "L2": 1.45078829110902, + "L3": 1.53252240898888, + "a7": 121.889853584857, + "L1": 1.32489549008344, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.076896687657, - "bs": 33.0, - "a2": 111.180237743867, - "a5": 121.533051140893, - "sidechain_LEU": 22, - "chainIndex": 15, + "ss": "G", + "a3": 110.737925708329, + "bs": 57.0, + "a2": 109.94492187037, + "a5": 120.44496581918, + "sidechain_LEU": null, + "chainIndex": 78, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.930897632249 + "a4": 110.671966550182 } }, { - "pk": 234, + "pk": 241, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.175654407664, - "psi": 131.767540175732, - "oldID": "16", - "bg": 43.55, + "a6": 117.019103453958, + "psi": -38.4843609064291, + "oldID": "82", + "bg": 30.34, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.1063244531556, + "protein": "1MWW", + "zeta": 33.0827209596974, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 235, + "next": 244, "sidechain_SER": null, - "bm": 36.0, + "bm": 29.0, "xpr": false, - "prev": 233, + "prev": 239, "terminal_flag": false, - "phi": -127.510538088092, + "phi": -56.5282877986735, "chainID": "A", - "sidechain_GLN": 10, - "ome": 179.762455230141, - "chi2": 173.90050080119, - "chi3": -23.1454161720656, - "chi1": -170.881273178391, + "sidechain_GLN": null, + "ome": 178.965778739075, + "chi2": 162.803046857426, + "chi3": null, + "chi1": -72.7155220779218, "chi4": null, "chi5": null, - "a1": 121.718836906858, - "L4": 1.52397363078796, - "L5": 1.23154923525075, - "L2": 1.45803860075357, - "L3": 1.52957252572431, - "a7": 122.982216164624, - "L1": 1.32891990081905, + "a1": 116.50000289043, + "L4": 1.53984765257649, + "L5": 1.24431344735617, + "L2": 1.46958598074672, + "L3": 1.55597258472846, + "a7": 122.882318739741, + "L1": 1.33117329656941, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.316099392368, - "bs": 44.0, - "a2": 110.464402921394, - "a5": 120.842107269085, - "sidechain_LEU": null, - "chainIndex": 16, + "ss": "H", + "a3": 111.030918877858, + "bs": 23.0, + "a2": 111.043940243507, + "a5": 120.098556941536, + "sidechain_LEU": 27, + "chainIndex": 82, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.130186820504 + "a4": 111.213676162672 } }, { - "pk": 235, + "pk": 242, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.219427335561, - "psi": 113.56756412299, - "oldID": "17", - "bg": 36.58, + "a6": 118.074529328099, + "psi": 151.181870091575, + "oldID": "79", + "bg": 44.25, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.2263059302312, - "sidechain_PHE": null, + "zeta": 35.2791489501106, + "sidechain_PHE": 9, "sidechain_LYS": null, - "sidechain_VAL": 16, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 236, + "next": 245, "sidechain_SER": null, - "bm": 38.0, + "bm": 55.0, "xpr": false, - "prev": 234, + "prev": 240, "terminal_flag": false, - "phi": -120.541666565662, + "phi": -86.4525884764598, "chainID": "A", "sidechain_GLN": null, - "ome": -179.711004406958, - "chi2": null, + "ome": 167.436568402819, + "chi2": 80.8904445374922, "chi3": null, - "chi1": 173.166120350394, + "chi1": -66.7960613600529, "chi4": null, "chi5": null, - "a1": 121.724244330256, - "L4": 1.5243606532539, - "L5": 1.23152846723882, - "L2": 1.45856280341634, - "L3": 1.54018165228251, - "a7": 122.982050943501, - "L1": 1.32907990848525, + "a1": 121.736621493994, + "L4": 1.53495884037135, + "L5": 1.22550310111055, + "L2": 1.47412002172236, + "L3": 1.51991066925335, + "a7": 122.248492715791, + "L1": 1.33089733049429, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.120533153545, - "bs": 37.0, - "a2": 111.471427577034, - "a5": 120.798449303015, + "ss": "S", + "a3": 113.059244474592, + "bs": 43.0, + "a2": 109.047998365462, + "a5": 119.676969551984, "sidechain_LEU": null, - "chainIndex": 17, + "chainIndex": 79, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.115797942738 + "a4": 109.114774141901 } }, { - "pk": 236, + "pk": 243, "model": "pgd_core.residue", "fields": { "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.177886458273, - "psi": 42.6926147808137, - "oldID": "18", - "bg": 43.19, + "a6": 116.92850819576, + "psi": -32.4648857427245, + "oldID": "82", + "bg": 11.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.1020623921463, + "protein": "1MWQ", + "zeta": 32.2667768302419, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 237, + "next": 246, "sidechain_SER": null, - "bm": 45.0, + "bm": 9.0, "xpr": false, "prev": 235, "terminal_flag": false, - "phi": 65.0659915280764, + "phi": -58.9773213984909, "chainID": "A", "sidechain_GLN": null, - "ome": -179.700479202619, - "chi2": 148.837537782187, - "chi3": 24.0858968035385, - "chi1": -89.0293994075164, + "ome": -176.596647967849, + "chi2": 179.363811192374, + "chi3": 20.2343881858518, + "chi1": -178.108084579484, "chi4": null, "chi5": null, - "a1": 121.642631167076, - "L4": 1.52516581925958, - "L5": 1.23136131308342, - "L2": 1.45788321956084, - "L3": 1.52974576481603, - "a7": 123.028528318259, - "L1": 1.32910632369201, + "a1": 121.689937496551, + "L4": 1.51167351995239, + "L5": 1.25545900878001, + "L2": 1.45551886292106, + "L3": 1.51824610100393, + "a7": 122.86156278847, + "L1": 1.34007982101254, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 19, + "sidechain_GLU": 24, "omep": null, - "ss": "T", - "a3": 111.042377266497, - "bs": 44.0, - "a2": 110.550006070833, - "a5": 120.793554391913, + "ss": "H", + "a3": 112.640461829945, + "bs": 11.0, + "a2": 111.540686157474, + "a5": 120.209107202565, "sidechain_LEU": null, - "chainIndex": 18, + "chainIndex": 85, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.132772745991 + "a4": 111.061063267071 } }, { - "pk": 237, + "pk": 244, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.829022183922, - "psi": -1.45684921755107, - "oldID": "19", - "bg": 0.0, + "a6": 115.783614600266, + "psi": -52.3815123642209, + "oldID": "83", + "bg": 23.26, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": null, - "sidechain_PHE": null, + "protein": "1MWW", + "zeta": 35.6795737585148, + "sidechain_PHE": 10, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 238, + "next": 248, "sidechain_SER": null, - "bm": 51.0, + "bm": 26.0, "xpr": false, - "prev": 236, + "prev": 241, "terminal_flag": false, - "phi": 75.2336264135833, + "phi": -61.0259519174727, "chainID": "A", "sidechain_GLN": null, - "ome": 175.553118885557, - "chi2": null, + "ome": 178.510128505551, + "chi2": -52.1013853917439, "chi3": null, - "chi1": null, + "chi1": -86.0371539412056, "chi4": null, "chi5": null, - "a1": 121.758250899366, - "L4": 1.52972952976633, - "L5": 1.23471097465757, - "L2": 1.4514122309059, - "L3": null, - "a7": 122.989615757609, - "L1": 1.32870312132754, + "a1": 122.262689781137, + "L4": 1.54791033497735, + "L5": 1.23513654619535, + "L2": 1.50093997853656, + "L3": 1.56564317587265, + "a7": 122.205922177301, + "L1": 1.33499273088411, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 117.098909411574, - "bs": 0.0, - "a2": null, - "a5": 119.177759438924, + "ss": "H", + "a3": 110.516856266867, + "bs": 21.0, + "a2": 110.468370831293, + "a5": 122.006602221726, "sidechain_LEU": null, - "chainIndex": 19, + "chainIndex": 83, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.110696531326 } }, { - "pk": 238, + "pk": 245, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 14, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.458644889107, - "psi": 136.979612225838, - "oldID": "20", - "bg": 53.03, + "a6": 116.860800883415, + "psi": 137.795158870977, + "oldID": "80", + "bg": 56.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 31.2584291949662, + "zeta": 38.8997265030224, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 239, + "next": 247, "sidechain_SER": null, - "bm": 48.0, + "bm": 58.0, "xpr": false, - "prev": 237, + "prev": 242, "terminal_flag": false, - "phi": -111.067648039405, + "phi": -48.6577086085303, "chainID": "A", "sidechain_GLN": null, - "ome": -174.982971169719, - "chi2": -73.1576649410324, - "chi3": -45.9440265591061, - "chi1": -62.5799624895434, - "chi4": null, + "ome": -173.093910596455, + "chi2": -12.263448148084, + "chi3": 19.5757339008922, + "chi1": -0.270947481753861, + "chi4": -20.2940142914975, "chi5": null, - "a1": 120.48393294559, - "L4": 1.53879651392406, - "L5": 1.23033905879107, - "L2": 1.45885273071675, - "L3": 1.52056666998603, - "a7": 123.086196113478, - "L1": 1.33309692522575, + "a1": 118.678457594313, + "L4": 1.53773008355978, + "L5": 1.23563526520269, + "L2": 1.46896411671095, + "L3": 1.52821216822034, + "a7": 122.482333498286, + "L1": 1.34618967641973, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 20, - "omep": null, - "ss": "E", - "a3": 114.041337978965, - "bs": 54.0, - "a2": 110.32470135101, - "a5": 121.442504781077, + "sidechain_GLU": null, + "omep": -12.1448517516493, + "ss": "-", + "a3": 111.115081057049, + "bs": 57.0, + "a2": 103.851047716098, + "a5": 120.654869882948, "sidechain_LEU": null, - "chainIndex": 20, + "chainIndex": 80, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.913818356432 + "a4": 109.664818913764 } }, { - "pk": 239, + "pk": 246, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.381879369484, - "psi": 120.718229483099, - "oldID": "21", - "bg": 41.09, + "a6": 118.791312049968, + "psi": -8.262245257156, + "oldID": "83", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.6777270264067, + "protein": "1MWQ", + "zeta": 35.5434713996798, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 17, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 240, + "next": 249, "sidechain_SER": null, - "bm": 45.0, + "bm": 9.0, "xpr": false, - "prev": 238, + "prev": 243, "terminal_flag": false, - "phi": -80.1324916794063, + "phi": -78.4215708058421, "chainID": "A", "sidechain_GLN": null, - "ome": -171.482415292742, + "ome": -177.522181906614, "chi2": null, "chi3": null, - "chi1": 171.614177176188, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.394339503469, - "L4": 1.52347066472393, - "L5": 1.22871213248161, - "L2": 1.46508809366448, - "L3": 1.57749926516868, - "a7": 122.4016680805, - "L1": 1.32703465110281, + "a1": 121.450227527286, + "L4": 1.50235785760645, + "L5": 1.23760972708924, + "L2": 1.45002813880678, + "L3": 1.50195590974518, + "a7": 121.972645270007, + "L1": 1.32239223436169, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.960275613097, - "bs": 42.0, - "a2": 111.226713797742, - "a5": 120.185449146552, + "ss": "T", + "a3": 114.55845124232, + "bs": 11.0, + "a2": 110.19908074273, + "a5": 119.191373805401, "sidechain_LEU": null, - "chainIndex": 21, + "chainIndex": 86, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.739632557695 + "a4": 107.268288737962 } }, { - "pk": 240, + "pk": 247, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.431475002759, - "psi": -31.8302274614005, - "oldID": "22", - "bg": 42.22, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.2304147858691, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 241, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 239, - "terminal_flag": false, - "phi": -106.032167628568, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.372170396873, - "chi2": -159.763561542075, - "chi3": null, - "chi1": -66.7715275236251, - "chi4": null, - "chi5": null, - "a1": 121.577045187139, - "L4": 1.52205347964322, - "L5": 1.22175066450499, - "L2": 1.46183952111547, - "L3": 1.54426236424874, - "a7": 122.474449013847, - "L1": 1.32807981744833, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.349673265862, - "bs": 42.0, - "a2": 109.88115423166, - "a5": 121.088663909018, - "sidechain_LEU": 23, - "chainIndex": 22, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.982923905028 - } -}, -{ - "pk": 241, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": 15, - "a6": 115.762085215194, - "psi": 154.695240334496, - "oldID": "23", - "bg": 45.08, + "a6": 118.37233876386, + "psi": -15.9188604166125, + "oldID": "81", + "bg": 76.8, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 35.2021036109313, + "zeta": 34.3117222050009, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 242, + "next": 250, "sidechain_SER": null, - "bm": 41.0, + "bm": 65.0, "xpr": false, - "prev": 240, + "prev": 245, "terminal_flag": false, - "phi": -154.011888710633, + "phi": -64.2333047237489, "chainID": "A", "sidechain_GLN": null, - "ome": 167.983437909627, - "chi2": 28.9730023211873, - "chi3": null, - "chi1": -165.570029192564, + "ome": 176.311883340326, + "chi2": 161.039625170647, + "chi3": -5.80187869702137, + "chi1": 47.734245894409, "chi4": null, "chi5": null, - "a1": 121.257029836291, - "L4": 1.51700181302534, - "L5": 1.24005075846943, - "L2": 1.4405927852052, - "L3": 1.53612351807182, - "a7": 122.49621214029, - "L1": 1.32879703823321, + "a1": 121.263230753769, + "L4": 1.53264275742053, + "L5": 1.23132147539778, + "L2": 1.46552068342301, + "L3": 1.52375433732748, + "a7": 122.449659263356, + "L1": 1.32703185505272, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 25, "omep": null, - "ss": "E", - "a3": 108.105187958242, - "bs": 44.0, - "a2": 109.968848876268, - "a5": 121.734777486306, + "ss": "T", + "a3": 114.460494686728, + "bs": 79.0, + "a2": 110.283715899087, + "a5": 119.163252385084, "sidechain_LEU": null, - "chainIndex": 23, + "chainIndex": 81, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.205774967379 + "a4": 108.849415089367 } }, { - "pk": 242, + "pk": 248, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.977073686872, - "psi": 146.807416316968, - "oldID": "24", - "bg": 52.48, + "a6": 115.324496355809, + "psi": -53.4456170395503, + "oldID": "84", + "bg": 51.3, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 32.6975257303848, + "protein": "1MWW", + "zeta": 35.673413147789, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 243, - "sidechain_SER": null, - "bm": 44.0, + "next": 253, + "sidechain_SER": 8, + "bm": 33.0, "xpr": false, - "prev": 241, + "prev": 244, "terminal_flag": false, - "phi": -159.798173374145, + "phi": -58.2304778915955, "chainID": "A", - "sidechain_GLN": 11, - "ome": 178.807020767922, - "chi2": -158.890991451342, - "chi3": -28.2130815347329, - "chi1": 81.7682976232234, + "sidechain_GLN": null, + "ome": -178.149786353196, + "chi2": null, + "chi3": null, + "chi1": -66.4465877734816, "chi4": null, "chi5": null, - "a1": 119.426458321206, - "L4": 1.50792119005291, - "L5": 1.21967516833233, - "L2": 1.4347902129022, - "L3": 1.52091109333842, - "a7": 122.74993886179, - "L1": 1.31893040458016, + "a1": 120.812907975751, + "L4": 1.50818922780046, + "L5": 1.23666122876025, + "L2": 1.47192289077829, + "L3": 1.51756761711303, + "a7": 123.745622264122, + "L1": 1.31459508563791, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.616442253378, - "bs": 54.0, - "a2": 110.930406627493, - "a5": 120.225279126509, + "ss": "H", + "a3": 111.839981480522, + "bs": 43.0, + "a2": 111.020462080369, + "a5": 120.929653479996, "sidechain_LEU": null, - "chainIndex": 24, + "chainIndex": 84, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.362026226819 + "a4": 107.037912519224 } }, { - "pk": 243, + "pk": 249, "model": "pgd_core.residue", "fields": { "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.513680349741, - "psi": -145.326229613528, - "oldID": "25", + "a6": 117.821626545072, + "psi": 25.4448602206139, + "oldID": "84", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", + "protein": "1MWQ", "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, @@ -77614,1693 +65876,1693 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 244, + "next": 252, "sidechain_SER": null, - "bm": 38.0, + "bm": 9.0, "xpr": false, - "prev": 242, + "prev": 246, "terminal_flag": false, - "phi": 166.536498446753, + "phi": 80.8304760165404, "chainID": "A", "sidechain_GLN": null, - "ome": -173.885169304874, + "ome": 175.297341260732, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.568134598213, - "L4": 1.49940896782472, - "L5": 1.22353680469388, - "L2": 1.44376341811802, + "a1": 117.946372726199, + "L4": 1.49274456098465, + "L5": 1.23117793056229, + "L2": 1.45027286744758, "L3": null, - "a7": 123.300515824212, - "L1": 1.32730362397819, + "a7": 121.655255136716, + "L1": 1.34384525259078, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.145299117188, + "ss": "T", + "a3": 115.659955651982, "bs": 0.0, "a2": null, - "a5": 121.185777570081, + "a5": 120.517307986781, "sidechain_LEU": null, - "chainIndex": 25, + "chainIndex": 87, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null } }, { - "pk": 244, + "pk": 250, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 117.879405097964, - "psi": 138.087080324029, - "oldID": "26", - "bg": 40.77, + "sidechain_ASP": 14, + "a6": 116.59602535118, + "psi": 16.8813545668923, + "oldID": "82", + "bg": 68.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 35.4997210952986, + "zeta": 32.6514399704662, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 245, + "next": 251, "sidechain_SER": null, - "bm": 39.0, + "bm": 58.0, "xpr": false, - "prev": 243, + "prev": 247, "terminal_flag": false, - "phi": -141.294090935718, + "phi": -106.858661479749, "chainID": "A", "sidechain_GLN": null, - "ome": 172.364337364724, - "chi2": -177.724739029717, - "chi3": -83.9181214887615, - "chi1": -179.746652043826, + "ome": -176.853871067951, + "chi2": -10.730276097916, + "chi3": null, + "chi1": -78.4219442478985, "chi4": null, "chi5": null, - "a1": 121.373233367613, - "L4": 1.50660700540605, - "L5": 1.21061038836019, - "L2": 1.43634399226575, - "L3": 1.51558440991545, - "a7": 121.97260573616, - "L1": 1.32067503796763, + "a1": 120.515939279506, + "L4": 1.54978806769135, + "L5": 1.23098373520217, + "L2": 1.4765246300475, + "L3": 1.53725548491833, + "a7": 122.000939625027, + "L1": 1.33518595536659, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 21, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.8680483344, - "bs": 42.0, - "a2": 110.050556909358, - "a5": 120.146755107209, + "ss": "T", + "a3": 114.12304981799, + "bs": 68.0, + "a2": 110.569937929665, + "a5": 121.402801440927, "sidechain_LEU": null, - "chainIndex": 26, + "chainIndex": 82, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.036239651592 + "a4": 110.859194234754 } }, { - "pk": 245, + "pk": 251, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.32642266277, - "psi": 157.408130022506, - "oldID": "27", - "bg": 36.75, + "a6": 116.502274639764, + "psi": 150.600265920172, + "oldID": "83", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.3594658255881, + "zeta": 35.6335072888102, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 246, + "next": 256, "sidechain_SER": null, - "bm": 35.0, + "bm": 44.0, "xpr": false, - "prev": 244, + "prev": 250, "terminal_flag": false, - "phi": -149.484877696586, + "phi": -82.3385987002311, "chainID": "A", "sidechain_GLN": null, - "ome": 169.357675695577, - "chi2": 79.7211027918634, + "ome": 178.176998466771, + "chi2": null, "chi3": null, - "chi1": 59.302992411461, + "chi1": null, "chi4": null, "chi5": null, - "a1": 118.970261513511, - "L4": 1.52394013461999, - "L5": 1.23061150658401, - "L2": 1.43907332658169, - "L3": 1.52324912226835, - "a7": 123.01233114113, - "L1": 1.32398333801979, + "a1": 121.29656433737, + "L4": 1.51313709760088, + "L5": 1.2176812254336, + "L2": 1.4361499044248, + "L3": 1.53428189304894, + "a7": 122.403116318533, + "L1": 1.31800906366707, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.257154247238, - "bs": 36.0, - "a2": 110.34114900222, - "a5": 121.661058828289, - "sidechain_LEU": 24, - "chainIndex": 27, + "ss": "S", + "a3": 108.079519784638, + "bs": 44.0, + "a2": 110.219738651199, + "a5": 121.075334511852, + "sidechain_LEU": null, + "chainIndex": 83, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.322633948662 + "a4": 109.333355604662 } }, { - "pk": 246, + "pk": 252, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.125160243127, - "psi": 140.050133093591, - "oldID": "28", - "bg": 29.98, + "a6": 117.837942110493, + "psi": -48.6840783503894, + "oldID": "85", + "bg": 9.64, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.2312093702239, + "protein": "1MWQ", + "zeta": 31.4108212181435, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 17, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 247, - "sidechain_SER": 7, - "bm": 30.0, + "next": 255, + "sidechain_SER": null, + "bm": 8.0, "xpr": false, - "prev": 245, + "prev": 249, "terminal_flag": false, - "phi": -113.253986633045, + "phi": -93.4340719137209, "chainID": "A", "sidechain_GLN": null, - "ome": -178.969664174691, + "ome": -178.918254905259, "chi2": null, "chi3": null, - "chi1": -56.197840397334, + "chi1": 171.347219531854, "chi4": null, "chi5": null, - "a1": 121.566693404377, - "L4": 1.51154059181337, - "L5": 1.20995588996015, - "L2": 1.44009711088616, - "L3": 1.52187975282542, - "a7": 122.926972312009, - "L1": 1.32190976328643, + "a1": 122.987355429095, + "L4": 1.51828284658041, + "L5": 1.22630734706041, + "L2": 1.4610535424962, + "L3": 1.53142433266159, + "a7": 121.573899100219, + "L1": 1.33759911658925, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.464844567743, - "bs": 29.0, - "a2": 109.644972225427, - "a5": 119.921724110798, + "ss": "-", + "a3": 111.114434023712, + "bs": 9.0, + "a2": 111.102496088657, + "a5": 120.561303019124, "sidechain_LEU": null, - "chainIndex": 28, + "chainIndex": 88, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.977347082424 + "a4": 113.3173474844 } }, { - "pk": 247, + "pk": 253, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 114.8661336417, - "psi": 155.622480122578, - "oldID": "29", - "bg": 27.29, + "a6": 118.304962235844, + "psi": -42.8569717200466, + "oldID": "85", + "bg": 52.25, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.5816611169549, + "protein": "1MWW", + "zeta": 33.8126880938935, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 248, + "next": 254, "sidechain_SER": null, - "bm": 26.0, + "bm": 34.0, "xpr": false, - "prev": 246, + "prev": 248, "terminal_flag": false, - "phi": -144.392946371368, + "phi": -57.1260649744895, "chainID": "A", "sidechain_GLN": null, - "ome": 174.074774548824, - "chi2": -78.694083286587, - "chi3": null, - "chi1": 74.1625231839327, + "ome": 179.19670513134, + "chi2": 114.690597723001, + "chi3": 52.5582095645951, + "chi1": -153.202683983032, "chi4": null, "chi5": null, - "a1": 120.555804456613, - "L4": 1.54115207395155, - "L5": 1.26607773049099, - "L2": 1.43035361331048, - "L3": 1.54610795388605, - "a7": 123.423042352021, - "L1": 1.32803929669078, + "a1": 121.390248201969, + "L4": 1.49958669816789, + "L5": 1.24125729374604, + "L2": 1.44826612718352, + "L3": 1.53783302370032, + "a7": 122.83681862538, + "L1": 1.3337762541515, "sidechain_ARG": null, - "sidechain_TYR": 11, - "sidechain_GLU": null, + "sidechain_TYR": null, + "sidechain_GLU": 26, "omep": null, - "ss": "E", - "a3": 107.97969010049, - "bs": 27.0, - "a2": 109.952753852056, - "a5": 121.70753863156, + "ss": "H", + "a3": 114.249957664827, + "bs": 57.0, + "a2": 109.930008313697, + "a5": 118.857161350118, "sidechain_LEU": null, - "chainIndex": 29, + "chainIndex": 85, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.254952146609 + "a4": 110.348221691016 } }, { - "pk": 248, + "pk": 254, "model": "pgd_core.residue", "fields": { "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.041635791696, - "psi": 113.894078755779, - "oldID": "30", - "bg": 28.61, + "a6": 115.154294957559, + "psi": -27.4620692121186, + "oldID": "86", + "bg": 38.41, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.6775331374342, + "protein": "1MWW", + "zeta": 33.9651895882065, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 249, + "next": 263, "sidechain_SER": null, - "bm": 26.0, + "bm": 37.0, "xpr": false, - "prev": 247, + "prev": 253, "terminal_flag": false, - "phi": -88.5929071023767, + "phi": -71.8052325374608, "chainID": "A", "sidechain_GLN": null, - "ome": -178.383695163354, - "chi2": 62.1409780799063, + "ome": 177.831292703394, + "chi2": 60.8720178087482, "chi3": null, - "chi1": 177.349023955312, + "chi1": -97.465277655719, "chi4": null, "chi5": null, - "a1": 121.766459918441, - "L4": 1.54214597792416, - "L5": 1.21519088799154, - "L2": 1.42507016947617, - "L3": 1.51845721717085, - "a7": 123.513327378339, - "L1": 1.329781606885, + "a1": 120.131870780478, + "L4": 1.54894087995462, + "L5": 1.25484378925253, + "L2": 1.47381291228732, + "L3": 1.5459651863195, + "a7": 123.157605889282, + "L1": 1.34505518314571, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.314650346401, - "bs": 28.0, - "a2": 109.689995947651, - "a5": 120.44455593644, - "sidechain_LEU": 25, - "chainIndex": 30, + "ss": "H", + "a3": 112.352118475427, + "bs": 36.0, + "a2": 110.97433373307, + "a5": 121.550215327319, + "sidechain_LEU": 28, + "chainIndex": 86, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.959714759768 + "a4": 109.425707809942 } }, { - "pk": 249, + "pk": 255, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 115.374344069008, - "psi": 137.28807755706, - "oldID": "31", - "bg": 24.4, + "a6": 115.359628446115, + "psi": 129.634580672612, + "oldID": "86", + "bg": 8.99, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 36.9483713837267, + "protein": "1MWQ", + "zeta": 36.3513401260211, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 250, + "next": 257, "sidechain_SER": null, - "bm": 26.0, + "bm": 9.0, "xpr": false, - "prev": 248, + "prev": 252, "terminal_flag": false, - "phi": -73.8979782485804, + "phi": -86.3573759874338, "chainID": "A", "sidechain_GLN": null, - "ome": 175.720588989298, - "chi2": null, + "ome": 172.5678573709, + "chi2": -13.0907686234918, "chi3": null, - "chi1": -165.900494237644, + "chi1": -73.4731934621207, "chi4": null, "chi5": null, - "a1": 125.481919059466, - "L4": 1.52207628612874, - "L5": 1.24133132678534, - "L2": 1.44704290512452, - "L3": 1.53490369829588, - "a7": 122.627622674445, - "L1": 1.33048867705874, + "a1": 120.40606122062, + "L4": 1.52339540544957, + "L5": 1.23771423760263, + "L2": 1.45125203644868, + "L3": 1.54329187105083, + "a7": 122.67675715162, + "L1": 1.333738119865, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 11, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.075979451156, - "bs": 24.0, - "a2": 107.25837668824, - "a5": 121.967009642857, + "ss": "E", + "a3": 111.522312900085, + "bs": 10.0, + "a2": 110.05059516947, + "a5": 121.96281818031, "sidechain_LEU": null, - "chainIndex": 31, - "sidechain_HIS": 7, + "chainIndex": 89, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.766523725929 + "a4": 107.50023209152 } }, { - "pk": 250, + "pk": 256, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.325255408728, - "psi": 19.8580200316182, - "oldID": "32", - "bg": 0.0, + "a6": 116.067111456555, + "psi": 102.835391943985, + "oldID": "84", + "bg": 39.92, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": null, + "zeta": 34.19614847872, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 251, + "next": 259, "sidechain_SER": null, - "bm": 31.0, + "bm": 37.0, "xpr": false, - "prev": 249, + "prev": 251, "terminal_flag": false, - "phi": 92.8796458369362, + "phi": -90.9961028981226, "chainID": "A", "sidechain_GLN": null, - "ome": 179.368252187684, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -177.089683996249, + "chi2": 174.774493891325, + "chi3": 83.9113118184401, + "chi1": 169.985871898878, "chi4": null, "chi5": null, - "a1": 121.013386841037, - "L4": 1.5167453376871, - "L5": 1.22073962646672, - "L2": 1.45605300527706, - "L3": null, - "a7": 122.790873637026, - "L1": 1.32245000202163, + "a1": 119.8187858356, + "L4": 1.53098156214146, + "L5": 1.23503280303712, + "L2": 1.41857573626313, + "L3": 1.51749141813169, + "a7": 122.865093725904, + "L1": 1.31975680483248, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 27, "omep": null, - "ss": "T", - "a3": 115.070185015923, - "bs": 0.0, - "a2": null, - "a5": 119.883125290013, + "ss": "-", + "a3": 106.95172373235, + "bs": 41.0, + "a2": 109.540090817876, + "a5": 121.050775044825, "sidechain_LEU": null, - "chainIndex": 32, + "chainIndex": 84, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 112.327171799525 } }, { - "pk": 251, + "pk": 257, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.768296857554, - "psi": 32.1163563909145, - "oldID": "33", - "bg": 41.12, + "a6": 116.52206762877, + "psi": -42.9673897734622, + "oldID": "87", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 36.3075527808805, + "protein": "1MWQ", + "zeta": 35.0664200166931, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 252, + "next": 258, "sidechain_SER": null, - "bm": 38.0, + "bm": 10.0, "xpr": false, - "prev": 250, + "prev": 255, "terminal_flag": false, - "phi": -140.432745498438, + "phi": -79.5390735707471, "chainID": "A", "sidechain_GLN": null, - "ome": 174.737335550668, + "ome": -172.983688637501, "chi2": null, "chi3": null, - "chi1": -61.6597862246895, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.462232684939, - "L4": 1.52118107726015, - "L5": 1.23650888634669, - "L2": 1.45596224554251, - "L3": 1.52009135914414, - "a7": 122.712753221752, - "L1": 1.33137488585137, + "a1": 122.7442196877, + "L4": 1.52689819406864, + "L5": 1.20589544908354, + "L2": 1.45143759820346, + "L3": 1.5149608173179, + "a7": 121.582028299914, + "L1": 1.32724101418605, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.93487918326, - "bs": 42.0, - "a2": 109.857293008396, - "a5": 120.50972050219, + "ss": "E", + "a3": 111.317042902486, + "bs": 11.0, + "a2": 110.702497078218, + "a5": 121.719282240692, "sidechain_LEU": null, - "chainIndex": 33, - "sidechain_HIS": 8, + "chainIndex": 90, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.346075714355 + "a4": 108.367979292514 } }, { - "pk": 252, + "pk": 258, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 118.232742316419, - "psi": 33.8890833146531, - "oldID": "34", - "bg": 49.55, + "chain": "1MWQA", + "sidechain_ASP": 15, + "a6": 113.94502543771, + "psi": 158.584182330006, + "oldID": "88", + "bg": 15.77, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.1134271450503, + "protein": "1MWQ", + "zeta": 23.8739189227113, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 253, + "next": 260, "sidechain_SER": null, - "bm": 42.0, + "bm": 11.0, "xpr": false, - "prev": 251, + "prev": 257, "terminal_flag": false, - "phi": 59.8843981504351, + "phi": -162.239151474543, "chainID": "A", "sidechain_GLN": null, - "ome": 176.8771210696, - "chi2": -137.103425504516, - "chi3": -98.5255777047206, - "chi1": -38.4645858488698, - "chi4": -19.5404801563084, - "chi5": 0.22977590210439, - "a1": 121.462106076516, - "L4": 1.51657480763687, - "L5": 1.22197501907509, - "L2": 1.46720463801818, - "L3": 1.52478501843602, - "a7": 121.603819476882, - "L1": 1.329868416411, - "sidechain_ARG": 15, + "ome": 177.776455933749, + "chi2": 81.4053191905979, + "chi3": null, + "chi1": 49.5405663179125, + "chi4": null, + "chi5": null, + "a1": 123.090981583529, + "L4": 1.54292270120674, + "L5": 1.22503876503858, + "L2": 1.44069018681477, + "L3": 1.5032289291277, + "a7": 125.333752383534, + "L1": 1.33535127588079, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.073862187299, - "bs": 58.0, - "a2": 109.554310505743, - "a5": 120.163339029442, + "ss": "E", + "a3": 107.037572048066, + "bs": 22.0, + "a2": 126.747418050075, + "a5": 120.66480952952, "sidechain_LEU": null, - "chainIndex": 34, + "chainIndex": 91, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.063672694889 + "a4": 108.995621924085 } }, { - "pk": 253, + "pk": 259, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "v", "sidechain_PRO": null, - "sidechain_ASN": 8, + "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.965105437891, - "psi": -25.200414239508, - "oldID": "35", - "bg": 35.29, + "a6": 116.685927284929, + "psi": 103.621113771668, + "oldID": "85", + "bg": 34.39, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 31.859884966147, + "zeta": 34.0702105853869, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 18, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 254, + "next": 261, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 252, + "prev": 256, "terminal_flag": false, - "phi": -83.9767941286598, + "phi": -105.360444628259, "chainID": "A", "sidechain_GLN": null, - "ome": 173.424932083332, - "chi2": -49.2334335349607, + "ome": -177.503825331471, + "chi2": null, "chi3": null, - "chi1": -62.9031710016798, + "chi1": -174.967392845189, "chi4": null, "chi5": null, - "a1": 117.970737858429, - "L4": 1.51655156287924, - "L5": 1.23308577702819, - "L2": 1.45151806539144, - "L3": 1.51573535252251, - "a7": 122.825747535703, - "L1": 1.32531642791358, + "a1": 121.080002274092, + "L4": 1.52915942925854, + "L5": 1.22667752063429, + "L2": 1.43961116728209, + "L3": 1.53613969749955, + "a7": 122.259151712029, + "L1": 1.32879962665064, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.638819417963, - "bs": 35.0, - "a2": 110.701176888795, - "a5": 120.204643899377, + "ss": "-", + "a3": 109.394394275812, + "bs": 34.0, + "a2": 111.082455770929, + "a5": 121.053447670281, "sidechain_LEU": null, - "chainIndex": 35, + "chainIndex": 85, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.419034746842 + "a4": 110.327406838441 } }, { - "pk": 254, + "pk": 260, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.718275041479, - "psi": 168.963647101788, - "oldID": "36", - "bg": 31.97, + "a6": 117.998399157213, + "psi": 133.123668781565, + "oldID": "89", + "bg": 16.46, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.871115671043, + "protein": "1MWQ", + "zeta": 30.0796223158356, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 19, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 255, + "next": 262, "sidechain_SER": null, - "bm": 31.0, + "bm": 12.0, "xpr": false, - "prev": 253, + "prev": 258, "terminal_flag": false, - "phi": -117.405436215002, + "phi": -134.485664961136, "chainID": "A", "sidechain_GLN": null, - "ome": 174.588315734983, - "chi2": -179.74182795296, + "ome": 173.916595514067, + "chi2": null, "chi3": null, - "chi1": -56.0435656751999, + "chi1": -49.0637440118643, "chi4": null, "chi5": null, - "a1": 121.010775374998, - "L4": 1.50199873737251, - "L5": 1.21384268580124, - "L2": 1.47118085420684, - "L3": 1.51766207969413, - "a7": 123.448391318335, - "L1": 1.33709274874821, + "a1": 120.621745283754, + "L4": 1.47988003428376, + "L5": 1.23941144819775, + "L2": 1.47356803554833, + "L3": 1.53818945906135, + "a7": 121.100204317827, + "L1": 1.30243309473998, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.031716973282, - "bs": 31.0, - "a2": 111.327942767798, - "a5": 118.773691867678, - "sidechain_LEU": 26, - "chainIndex": 36, + "ss": "E", + "a3": 108.856506985072, + "bs": 18.0, + "a2": 112.775230149585, + "a5": 120.827616167384, + "sidechain_LEU": null, + "chainIndex": 92, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.715714031796 + "a4": 114.58406424371 } }, { - "pk": 255, + "pk": 261, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.346438410053, - "psi": 143.751601170925, - "oldID": "37", - "bg": 27.96, + "a6": 117.27827398278, + "psi": 154.972543279575, + "oldID": "86", + "bg": 33.34, "sidechain_CYS": null, - "sidechain_ILE": 17, + "sidechain_ILE": null, "protein": "3CGM", - "zeta": 32.9977513920677, + "zeta": 34.1330277116816, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 20, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 256, + "next": 266, "sidechain_SER": null, - "bm": 29.0, + "bm": 32.0, "xpr": false, - "prev": 254, + "prev": 259, "terminal_flag": false, - "phi": -58.5893576511319, + "phi": -146.035326303459, "chainID": "A", "sidechain_GLN": null, - "ome": -166.802627720002, - "chi2": -179.47226026509, + "ome": 177.808306606968, + "chi2": null, "chi3": null, - "chi1": 58.1194626313365, + "chi1": -61.3302643870181, "chi4": null, "chi5": null, - "a1": 122.714861073877, - "L4": 1.53236508182113, - "L5": 1.2313854599647, - "L2": 1.45865078777173, - "L3": 1.54878970345774, - "a7": 121.603394096549, - "L1": 1.33343482551711, + "a1": 120.841675673202, + "L4": 1.54522683914319, + "L5": 1.22066045927945, + "L2": 1.45725570448909, + "L3": 1.55097536202631, + "a7": 121.415256436442, + "L1": 1.32698294433845, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.402449031057, - "bs": 28.0, - "a2": 111.37924155294, - "a5": 121.024266180108, + "a3": 108.177088398048, + "bs": 32.0, + "a2": 110.772587468064, + "a5": 121.295932678309, "sidechain_LEU": null, - "chainIndex": 37, + "chainIndex": 86, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.587243696724 + "a4": 110.884709598098 } }, { - "pk": 256, + "pk": 262, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 11, + "aa": "i", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.304643714336, - "psi": -37.5596078811269, - "oldID": "38", - "bg": 30.14, + "a6": 117.079707642293, + "psi": 124.465920201401, + "oldID": "90", + "bg": 12.9, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 38.7250671778184, + "sidechain_ILE": 14, + "protein": "1MWQ", + "zeta": 34.4639495567359, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 257, + "next": 264, "sidechain_SER": null, - "bm": 29.0, + "bm": 9.0, "xpr": false, - "prev": 255, + "prev": 260, "terminal_flag": false, - "phi": -61.1783621359729, + "phi": -104.711475495889, "chainID": "A", "sidechain_GLN": null, - "ome": -175.472116375832, - "chi2": 27.4917114317596, - "chi3": -26.5914328100145, - "chi1": -16.6298483425203, - "chi4": 16.607037173101, + "ome": -178.583557580252, + "chi2": 137.530321720993, + "chi3": null, + "chi1": -61.5266630437882, + "chi4": null, "chi5": null, - "a1": 117.875597203036, - "L4": 1.52823282107284, - "L5": 1.23532935803324, - "L2": 1.46821468016998, - "L3": 1.52534237463595, - "a7": 122.573818074885, - "L1": 1.33363373314982, + "a1": 125.048062433484, + "L4": 1.52430002499937, + "L5": 1.23580833250281, + "L2": 1.45434787737262, + "L3": 1.53097021555978, + "a7": 122.23857624491, + "L1": 1.31066156895366, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 13.5855420968609, - "ss": "H", - "a3": 111.923805707917, - "bs": 30.0, - "a2": 103.375634456296, - "a5": 120.118867738323, + "omep": null, + "ss": "E", + "a3": 106.972163468486, + "bs": 13.0, + "a2": 112.697596728672, + "a5": 120.680952168879, "sidechain_LEU": null, - "chainIndex": 38, + "chainIndex": 93, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.269792974898 + "a4": 108.637189346016 } }, { - "pk": 257, + "pk": 263, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.851628096519, - "psi": -33.5077469269349, - "oldID": "39", - "bg": 0.0, + "a6": 115.19606441798, + "psi": -65.9936469064679, + "oldID": "87", + "bg": 52.04, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": null, + "protein": "1MWW", + "zeta": 35.9378144707381, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 258, + "next": 267, "sidechain_SER": null, - "bm": 27.0, + "bm": 46.0, "xpr": false, - "prev": 256, + "prev": 254, "terminal_flag": false, - "phi": -66.8661847836785, + "phi": -65.5127448821394, "chainID": "A", "sidechain_GLN": null, - "ome": 174.834429170867, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -178.930597453506, + "chi2": -110.21762841426, + "chi3": -16.9432766384647, + "chi1": -82.0092693484603, "chi4": null, "chi5": null, - "a1": 120.957652200261, - "L4": 1.5257413246462, - "L5": 1.22379417684151, - "L2": 1.44873631082194, - "L3": null, - "a7": 122.487384068458, - "L1": 1.33265737764718, + "a1": 122.572835753368, + "L4": 1.54349234492408, + "L5": 1.24117183233476, + "L2": 1.47043882076972, + "L3": 1.54608355411958, + "a7": 123.244543474505, + "L1": 1.3333841080767, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 28, "omep": null, "ss": "H", - "a3": 115.319480378367, - "bs": 0.0, - "a2": null, - "a5": 120.620496074155, + "a3": 106.345795495436, + "bs": 53.0, + "a2": 110.29220234902, + "a5": 121.507807189989, "sidechain_LEU": null, - "chainIndex": 39, + "chainIndex": 87, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.89118159917 } }, { - "pk": 258, + "pk": 264, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.573471294966, - "psi": -42.2805544138032, - "oldID": "40", - "bg": 24.95, + "a6": 116.49077827029, + "psi": 125.722104795035, + "oldID": "91", + "bg": 9.91, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.2447413894745, + "protein": "1MWQ", + "zeta": 34.7452364611957, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 21, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 259, + "next": 265, "sidechain_SER": null, - "bm": 26.0, + "bm": 7.0, "xpr": false, - "prev": 257, + "prev": 262, "terminal_flag": false, - "phi": -69.7799486329558, + "phi": -122.137179976382, "chainID": "A", "sidechain_GLN": null, - "ome": 173.849086114847, - "chi2": 56.4381469198974, + "ome": 179.789909525103, + "chi2": null, "chi3": null, - "chi1": -179.81546906348, + "chi1": -178.72834091083, "chi4": null, "chi5": null, - "a1": 121.562500623334, - "L4": 1.56124533214877, - "L5": 1.23976307028818, - "L2": 1.4546665089648, - "L3": 1.54129440767647, - "a7": 121.354489595637, - "L1": 1.32584754776627, + "a1": 122.306924327288, + "L4": 1.51946875352863, + "L5": 1.22726601774996, + "L2": 1.46846271748662, + "L3": 1.51726514984312, + "a7": 123.499423200624, + "L1": 1.33274621616339, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.005163807677, - "bs": 23.0, - "a2": 110.299139106304, - "a5": 121.044933690803, - "sidechain_LEU": 27, - "chainIndex": 40, + "ss": "E", + "a3": 107.527784304136, + "bs": 9.0, + "a2": 109.555777644838, + "a5": 120.009493891757, + "sidechain_LEU": null, + "chainIndex": 94, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.905498780925 + "a4": 110.99832046075 } }, { - "pk": 259, + "pk": 265, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.87544228435, - "psi": -37.1783416880655, - "oldID": "41", - "bg": 28.74, + "a6": 118.005873889498, + "psi": 146.623190202112, + "oldID": "92", + "bg": 8.81, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.1120509386593, + "protein": "1MWQ", + "zeta": 34.578164148263, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 16, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 260, + "next": 268, "sidechain_SER": null, - "bm": 26.0, + "bm": 7.0, "xpr": false, - "prev": 258, + "prev": 264, "terminal_flag": false, - "phi": -60.7664629754109, + "phi": -133.38115931383, "chainID": "A", "sidechain_GLN": null, - "ome": -178.688675882478, - "chi2": -154.693304540477, - "chi3": 17.3221064138269, - "chi1": -69.9637236135948, - "chi4": null, + "ome": 162.207224289396, + "chi2": -176.235598618116, + "chi3": 173.549385576509, + "chi1": -63.7957220368423, + "chi4": -164.295375132181, "chi5": null, - "a1": 119.57046158633, - "L4": 1.52678734486611, - "L5": 1.24368505552407, - "L2": 1.4674548454997, - "L3": 1.53667752870179, - "a7": 123.041852866455, - "L1": 1.32999519936756, + "a1": 122.16354939658, + "L4": 1.51888893870392, + "L5": 1.22938863351242, + "L2": 1.44559731287411, + "L3": 1.53893766626879, + "a7": 121.902116515432, + "L1": 1.33893607291679, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 22, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.953417842788, - "bs": 29.0, - "a2": 112.435682554748, - "a5": 120.062821220934, + "ss": "E", + "a3": 111.240981147363, + "bs": 9.0, + "a2": 112.752259056615, + "a5": 119.837533684537, "sidechain_LEU": null, - "chainIndex": 41, + "chainIndex": 95, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.999177147112 + "a4": 107.351880419031 } }, { - "pk": 260, + "pk": 266, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 15, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.424377958435, - "psi": -34.6180121844706, - "oldID": "42", - "bg": 27.22, + "a6": 116.471802994991, + "psi": 130.343231168029, + "oldID": "87", + "bg": 36.18, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 32.5534855275649, + "zeta": 38.9638857777856, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 261, + "next": 269, "sidechain_SER": null, - "bm": 27.0, + "bm": 34.0, "xpr": false, - "prev": 259, + "prev": 261, "terminal_flag": false, - "phi": -65.5513113026846, + "phi": -47.3700905525982, "chainID": "A", "sidechain_GLN": null, - "ome": -178.635090123967, - "chi2": -179.939310008776, - "chi3": -1.5835714497191, - "chi1": -178.740949632348, - "chi4": null, + "ome": 175.522343594825, + "chi2": 22.7343886954411, + "chi3": -8.53124821973061, + "chi1": -27.7415596971489, + "chi4": -10.2786153659776, "chi5": null, - "a1": 120.32607645349, - "L4": 1.5095552910255, - "L5": 1.24052440193553, - "L2": 1.45879238343519, - "L3": 1.53876604781602, - "a7": 122.547032117655, - "L1": 1.33481603601808, + "a1": 116.800120619145, + "L4": 1.52732520718948, + "L5": 1.22427146251298, + "L2": 1.46772247981073, + "L3": 1.55377936676728, + "a7": 123.854715536823, + "L1": 1.32797031313251, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 23, - "omep": null, - "ss": "H", - "a3": 110.276134521782, - "bs": 29.0, - "a2": 112.59494281941, - "a5": 121.018792731008, + "sidechain_GLU": null, + "omep": -14.8706613951854, + "ss": "T", + "a3": 112.59506350698, + "bs": 35.0, + "a2": 102.908307191518, + "a5": 119.644836129492, "sidechain_LEU": null, - "chainIndex": 42, + "chainIndex": 87, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.692138491832 + "a4": 110.648406097786 } }, { - "pk": 261, + "pk": 267, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.470178790814, - "psi": -27.9784848823701, - "oldID": "43", - "bg": 0.0, + "a6": 118.465716688008, + "psi": -46.4789231924883, + "oldID": "88", + "bg": 50.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.1319483606099, + "protein": "1MWW", + "zeta": 32.6739696352309, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 262, + "next": 272, "sidechain_SER": null, - "bm": 27.0, + "bm": 53.0, "xpr": false, - "prev": 260, + "prev": 263, "terminal_flag": false, - "phi": -76.7736229153831, + "phi": -62.1275896207983, "chainID": "A", "sidechain_GLN": null, - "ome": 178.897463953846, - "chi2": null, + "ome": -179.128297415194, + "chi2": 67.2958961195608, "chi3": null, - "chi1": null, + "chi1": -60.7506457277274, "chi4": null, "chi5": null, - "a1": 118.424336131038, - "L4": 1.51152486155093, - "L5": 1.23767041956488, - "L2": 1.4752152451671, - "L3": 1.54532588852048, - "a7": 123.733569408208, - "L1": 1.32450594047069, + "a1": 122.612690011115, + "L4": 1.51969774228873, + "L5": 1.2366240142822, + "L2": 1.46978848115598, + "L3": 1.5351928751719, + "a7": 121.772914277965, + "L1": 1.3264758309557, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 12, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.745168347669, - "bs": 28.0, - "a2": 112.145931706545, - "a5": 119.787903051201, + "a3": 119.316741266094, + "bs": 54.0, + "a2": 109.88507424359, + "a5": 119.757999490549, "sidechain_LEU": null, - "chainIndex": 43, + "chainIndex": 88, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.476848911245 + "a4": 109.573314155912 } }, { - "pk": 262, + "pk": 268, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 16, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.407625005209, - "psi": -25.8729438522599, - "oldID": "44", - "bg": 25.96, + "a6": 116.375605479846, + "psi": 150.324898949383, + "oldID": "93", + "bg": 9.82, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.3060461842609, + "protein": "1MWQ", + "zeta": 38.4005051757042, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 263, + "next": 270, "sidechain_SER": null, - "bm": 26.0, + "bm": 7.0, "xpr": false, - "prev": 261, + "prev": 265, "terminal_flag": false, - "phi": -78.0817604288222, + "phi": -54.9095820305039, "chainID": "A", "sidechain_GLN": null, - "ome": -171.490754019727, - "chi2": 149.170654350864, - "chi3": null, - "chi1": -77.1847916906795, - "chi4": null, + "ome": 179.100183116609, + "chi2": 36.8447475055239, + "chi3": -37.7816402638879, + "chi1": -21.1820162581469, + "chi4": 25.8936551913584, "chi5": null, - "a1": 120.364861230757, - "L4": 1.52086637775471, - "L5": 1.22607369903258, - "L2": 1.46045860763924, - "L3": 1.5154576230537, - "a7": 122.923410425951, - "L1": 1.33372331744847, + "a1": 119.547505206675, + "L4": 1.51943521123517, + "L5": 1.25227024077097, + "L2": 1.45849245197245, + "L3": 1.53766439291315, + "a7": 123.541671894507, + "L1": 1.33007927202625, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.58648638079, - "bs": 24.0, - "a2": 112.029096884305, - "a5": 120.645224664176, - "sidechain_LEU": 28, - "chainIndex": 44, + "omep": -6.9606624867269, + "ss": "E", + "a3": 110.380999196877, + "bs": 9.0, + "a2": 102.884871467303, + "a5": 119.935698818382, + "sidechain_LEU": null, + "chainIndex": 96, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.071169376617 + "a4": 111.778299170257 } }, { - "pk": 263, + "pk": 269, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.741783711205, - "psi": 130.599724973157, - "oldID": "45", - "bg": 35.21, + "a6": 117.711447037008, + "psi": -16.6923153367629, + "oldID": "88", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 35.5860007789251, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 264, + "next": 271, "sidechain_SER": null, - "bm": 29.0, + "bm": 33.0, "xpr": false, - "prev": 262, + "prev": 266, "terminal_flag": false, - "phi": -53.4504196380063, + "phi": 95.3592871355897, "chainID": "A", "sidechain_GLN": null, - "ome": 174.046424224976, - "chi2": 71.1937302040803, - "chi3": 13.4799378541704, - "chi1": 175.700120939051, + "ome": -179.77587869037, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.140295070962, - "L4": 1.53302209161953, - "L5": 1.23367684321074, - "L2": 1.44420430943269, - "L3": 1.53201940164548, - "a7": 122.193013104673, - "L1": 1.32156043287561, + "a1": 124.220829206037, + "L4": 1.52885241637687, + "L5": 1.2336976625247, + "L2": 1.45947780512554, + "L3": null, + "a7": 121.760617669143, + "L1": 1.33989747580485, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 24, + "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 109.885210836525, - "bs": 35.0, - "a2": 108.912530420433, - "a5": 120.062966094465, + "a3": 113.640710421423, + "bs": 0.0, + "a2": null, + "a5": 120.523228276716, "sidechain_LEU": null, - "chainIndex": 45, + "chainIndex": 88, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.05100236466 + "a4": null } }, { - "pk": 264, + "pk": 270, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.169294593008, - "psi": -7.0521357138039, - "oldID": "46", - "bg": 0.0, + "a6": 117.588829047731, + "psi": 122.615411277344, + "oldID": "94", + "bg": 7.53, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": null, - "sidechain_PHE": null, + "protein": "1MWQ", + "zeta": 34.8687076389386, + "sidechain_PHE": 11, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 265, + "next": 273, "sidechain_SER": null, - "bm": 28.0, + "bm": 8.0, "xpr": false, - "prev": 263, + "prev": 268, "terminal_flag": false, - "phi": 82.7332136757267, + "phi": -134.756501603021, "chainID": "A", "sidechain_GLN": null, - "ome": -177.648617474182, - "chi2": null, + "ome": 175.095205475864, + "chi2": 58.6869201123193, "chi3": null, - "chi1": null, + "chi1": 176.472392208634, "chi4": null, "chi5": null, - "a1": 120.618027895399, - "L4": 1.5274159441209, - "L5": 1.22119579309542, - "L2": 1.46829238449553, - "L3": null, - "a7": 122.075405490318, - "L1": 1.32986121401171, + "a1": 123.124376946044, + "L4": 1.50527344097699, + "L5": 1.23335664975856, + "L2": 1.47959894330188, + "L3": 1.5225768528833, + "a7": 123.121068024864, + "L1": 1.3226568235804, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.520872526545, - "bs": 0.0, - "a2": null, - "a5": 119.687272334089, + "ss": "E", + "a3": 108.300306894359, + "bs": 7.0, + "a2": 109.113512643972, + "a5": 119.208155761129, "sidechain_LEU": null, - "chainIndex": 46, + "chainIndex": 97, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 111.129936190461 } }, { - "pk": 265, + "pk": 271, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.189631275484, - "psi": 147.781806947958, - "oldID": "47", - "bg": 31.81, + "a6": 116.06811814017, + "psi": 139.426641700363, + "oldID": "89", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 32.9360182473153, + "zeta": 32.5788523054251, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 266, + "next": 274, "sidechain_SER": null, - "bm": 29.0, + "bm": 32.0, "xpr": false, - "prev": 264, + "prev": 269, "terminal_flag": false, - "phi": -76.8151505084815, + "phi": -62.0603148340098, "chainID": "A", "sidechain_GLN": null, - "ome": 179.674922905114, - "chi2": -150.624192181929, - "chi3": -175.56108080082, - "chi1": -63.1196822882642, - "chi4": -109.788008129065, - "chi5": 2.42522374747508, - "a1": 120.608368912896, - "L4": 1.5262414583091, - "L5": 1.22742341473995, - "L2": 1.46622140541179, - "L3": 1.52978214648388, - "a7": 122.808302099087, - "L1": 1.34009165054764, - "sidechain_ARG": 16, + "ome": -178.937148735056, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 119.913935969397, + "L4": 1.5561638156299, + "L5": 1.23511576547942, + "L2": 1.47522238853757, + "L3": 1.54113455862373, + "a7": 122.456757324502, + "L1": 1.33153411354022, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 113.939840612565, + "a3": 112.217797364379, "bs": 31.0, - "a2": 110.583409844065, - "a5": 119.998325791177, + "a2": 110.915720511234, + "a5": 121.47496081037, "sidechain_LEU": null, - "chainIndex": 47, + "chainIndex": 89, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.636683419762 + "a4": 111.335486837386 } }, { - "pk": 266, + "pk": 272, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.6482891879, - "psi": 152.247778526341, - "oldID": "48", - "bg": 32.61, + "a6": 118.759602206283, + "psi": -32.7397598516185, + "oldID": "89", + "bg": 50.34, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 32.9609630277299, + "protein": "1MWW", + "zeta": 33.7958026802009, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 17, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 267, + "next": 275, "sidechain_SER": null, - "bm": 28.0, + "bm": 45.0, "xpr": false, - "prev": 265, + "prev": 267, "terminal_flag": false, - "phi": -90.7463277179332, + "phi": -84.5763037129989, "chainID": "A", "sidechain_GLN": null, - "ome": 171.169073300665, - "chi2": -86.3272559143984, - "chi3": -9.99841229367881, - "chi1": -92.3884242035837, - "chi4": null, + "ome": -179.252581691002, + "chi2": 138.672109661254, + "chi3": -70.5111689178656, + "chi1": -128.750557193695, + "chi4": 156.815817397589, "chi5": null, - "a1": 121.356273437238, - "L4": 1.5264830181818, - "L5": 1.2326571205025, - "L2": 1.45337622981509, - "L3": 1.53946954140061, - "a7": 122.742165799663, - "L1": 1.33318838224379, + "a1": 118.994873276025, + "L4": 1.53664919151383, + "L5": 1.23882338822963, + "L2": 1.44983512741177, + "L3": 1.52240103506367, + "a7": 120.95666791617, + "L1": 1.32558844594311, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 25, + "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 111.049272536954, - "bs": 33.0, - "a2": 111.424358651407, - "a5": 121.607777094104, + "ss": "H", + "a3": 116.120570987136, + "bs": 53.0, + "a2": 109.124377044781, + "a5": 120.280110543862, "sidechain_LEU": null, - "chainIndex": 48, + "chainIndex": 89, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.980379352642 + "a4": 110.163635826478 } }, { - "pk": 267, + "pk": 273, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 116.571781085888, - "psi": 129.719244801328, - "oldID": "49", - "bg": 31.77, + "a6": 117.493449675061, + "psi": 108.084117735171, + "oldID": "95", + "bg": 14.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.7292404702382, + "protein": "1MWQ", + "zeta": 34.2093143949682, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 18, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 268, + "next": 276, "sidechain_SER": null, - "bm": 27.0, + "bm": 9.0, "xpr": false, - "prev": 266, + "prev": 270, "terminal_flag": false, - "phi": -52.3102125727004, + "phi": -92.8927710724488, "chainID": "A", "sidechain_GLN": null, - "ome": -176.666650073364, - "chi2": 174.18327044823, - "chi3": -65.8258760398143, - "chi1": -164.234944238323, - "chi4": null, + "ome": -175.355238839975, + "chi2": -174.13393303344, + "chi3": -173.4972038518, + "chi1": 178.808622890193, + "chi4": 77.2980202846732, "chi5": null, - "a1": 121.560726856574, - "L4": 1.53182534090219, - "L5": 1.24027733073892, - "L2": 1.45352137334988, - "L3": 1.53452755154961, - "a7": 123.554993745812, - "L1": 1.3233407820343, + "a1": 124.024921850069, + "L4": 1.52814204401353, + "L5": 1.23316223101328, + "L2": 1.45960352061625, + "L3": 1.51649670252395, + "a7": 122.010113042124, + "L1": 1.31218640775226, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 26, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 107.973018129758, - "bs": 33.0, - "a2": 110.154659172475, - "a5": 119.870077100999, + "ss": "-", + "a3": 106.430935501068, + "bs": 18.0, + "a2": 110.375152277751, + "a5": 120.477830207759, "sidechain_LEU": null, - "chainIndex": 49, + "chainIndex": 98, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.564153629256 + "a4": 111.298335448127 } }, { - "pk": 268, + "pk": 274, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.701388784748, - "psi": -15.1414505242421, - "oldID": "50", - "bg": 0.0, + "a6": 117.302427076274, + "psi": 142.072372731629, + "oldID": "90", + "bg": 46.89, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": null, + "zeta": 36.8715709864743, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 269, + "next": 277, "sidechain_SER": null, - "bm": 26.0, + "bm": 37.0, "xpr": false, - "prev": 267, + "prev": 271, "terminal_flag": false, - "phi": 106.27539097505, + "phi": -103.787263390484, "chainID": "A", - "sidechain_GLN": null, - "ome": -174.903424948434, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 13, + "ome": 172.35495243097, + "chi2": -80.8780187017444, + "chi3": 173.185104434468, + "chi1": -47.0971003077439, "chi4": null, "chi5": null, - "a1": 122.421666790555, - "L4": 1.52707415247196, - "L5": 1.23882998267992, - "L2": 1.45387985837389, - "L3": null, - "a7": 120.186288799746, - "L1": 1.33713584018992, + "a1": 122.563894055631, + "L4": 1.51425108326581, + "L5": 1.2222817868436, + "L2": 1.46055993970248, + "L3": 1.51841622306882, + "a7": 122.389076200342, + "L1": 1.33050811071306, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.701962153853, - "bs": 0.0, - "a2": null, - "a5": 121.109734215637, + "ss": "E", + "a3": 108.98771679068, + "bs": 47.0, + "a2": 109.832350093345, + "a5": 120.30068355384, "sidechain_LEU": null, - "chainIndex": 50, + "chainIndex": 90, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 107.207589383226 } }, { - "pk": 269, + "pk": 275, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.730045243278, - "psi": 147.227447413609, - "oldID": "51", - "bg": 30.17, + "a6": 116.114774194817, + "psi": -11.129086715512, + "oldID": "90", + "bg": 45.42, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.4602984651431, + "protein": "1MWW", + "zeta": 33.6606680991363, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 270, + "next": 280, "sidechain_SER": null, - "bm": 29.0, + "bm": 43.0, "xpr": false, - "prev": 268, + "prev": 272, "terminal_flag": false, - "phi": -74.0012496779193, + "phi": -109.534690472242, "chainID": "A", "sidechain_GLN": null, - "ome": 174.715079919609, - "chi2": -171.413826337911, - "chi3": 50.745432879717, - "chi1": -72.103682467586, + "ome": -178.715810794458, + "chi2": 76.665372430051, + "chi3": null, + "chi1": -77.6795437454103, "chi4": null, "chi5": null, - "a1": 116.676298420676, - "L4": 1.51885596859847, - "L5": 1.22692772519311, - "L2": 1.47633632815227, - "L3": 1.52683630653194, - "a7": 122.556821154183, - "L1": 1.32104227358681, + "a1": 117.474391831862, + "L4": 1.50080914001029, + "L5": 1.23337777437196, + "L2": 1.46085231729721, + "L3": 1.53183265564898, + "a7": 124.138400487104, + "L1": 1.33182557523708, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 27, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.999728445321, - "bs": 30.0, - "a2": 111.806789598528, - "a5": 120.708530557348, - "sidechain_LEU": null, - "chainIndex": 51, + "ss": "H", + "a3": 114.741331273497, + "bs": 44.0, + "a2": 111.73258129211, + "a5": 119.746407980961, + "sidechain_LEU": 29, + "chainIndex": 90, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.670097371518 + "a4": 108.408414958428 } }, { - "pk": 270, + "pk": 276, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 118.616865762288, - "psi": 129.163460632555, - "oldID": "52", - "bg": 0.0, + "a6": 117.180249285765, + "psi": 100.401674918524, + "oldID": "96", + "bg": 10.55, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.7681524821875, + "protein": "1MWQ", + "zeta": 33.5165050496459, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 19, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 271, + "next": 278, "sidechain_SER": null, - "bm": 30.0, + "bm": 11.0, "xpr": false, - "prev": 269, + "prev": 273, "terminal_flag": false, - "phi": -127.174138393923, + "phi": -78.970617413188, "chainID": "A", "sidechain_GLN": null, - "ome": -174.769341559522, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": -179.176246312145, + "chi2": -178.902286390889, + "chi3": 64.209845781985, + "chi1": -170.098873554506, + "chi4": 41.6468744615897, "chi5": null, - "a1": 121.988225617325, - "L4": 1.51321753455945, - "L5": 1.2215656791271, - "L2": 1.45284946686854, - "L3": 1.51839833639337, - "a7": 122.206273502565, - "L1": 1.32392376664049, + "a1": 121.619707868789, + "L4": 1.50527143015968, + "L5": 1.24016229433519, + "L2": 1.45728717383555, + "L3": 1.52185372084704, + "a7": 120.628525334804, + "L1": 1.31997934720979, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 104.923218613729, - "bs": 31.0, - "a2": 110.183716351969, - "a5": 119.168917643288, + "ss": "-", + "a3": 110.214620918161, + "bs": 18.0, + "a2": 109.98291425147, + "a5": 122.134532453754, "sidechain_LEU": null, - "chainIndex": 52, + "chainIndex": 99, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.53414129423 + "a4": 111.823088506261 } }, { - "pk": 271, + "pk": 277, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -79308,1402 +67570,1402 @@ "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.905327886673, - "psi": 164.615698121889, - "oldID": "53", - "bg": 29.72, + "a6": 115.708672845574, + "psi": 155.49925054696, + "oldID": "91", + "bg": 32.88, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.8978537966791, + "zeta": 34.1399010128198, "sidechain_PHE": 12, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 272, + "next": 279, "sidechain_SER": null, - "bm": 30.0, + "bm": 36.0, "xpr": false, - "prev": 270, + "prev": 274, "terminal_flag": false, - "phi": -152.140600969843, + "phi": -130.15688383246, "chainID": "A", "sidechain_GLN": null, - "ome": 172.237137970348, - "chi2": -85.519902807391, + "ome": -178.587189455808, + "chi2": 84.1354096135393, "chi3": null, - "chi1": 60.9861843643208, + "chi1": -77.2728226071109, "chi4": null, "chi5": null, - "a1": 118.912126182944, - "L4": 1.54312288913882, - "L5": 1.23865230711825, - "L2": 1.46554766806857, - "L3": 1.54418796312432, - "a7": 123.744594480827, - "L1": 1.33049307766119, + "a1": 120.557778702229, + "L4": 1.50998014519415, + "L5": 1.24035410219398, + "L2": 1.45401300991845, + "L3": 1.53040428217869, + "a7": 122.805672082392, + "L1": 1.32021832732193, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 111.248091123309, - "bs": 28.0, - "a2": 109.580536745526, - "a5": 120.349840859773, + "a3": 108.612181838555, + "bs": 31.0, + "a2": 110.931297857034, + "a5": 121.484125778676, "sidechain_LEU": null, - "chainIndex": 53, + "chainIndex": 91, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.350649065908 + "a4": 110.561154576982 } }, { - "pk": 272, + "pk": 278, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.84058182253, - "psi": 137.860236718885, - "oldID": "54", - "bg": 37.1, + "a6": 115.460417063363, + "psi": -36.4103252060373, + "oldID": "97", + "bg": 9.74, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.8782747345335, + "protein": "1MWQ", + "zeta": 32.0471430975962, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 22, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 273, + "next": 281, "sidechain_SER": null, - "bm": 34.0, + "bm": 9.0, "xpr": false, - "prev": 271, + "prev": 276, "terminal_flag": false, - "phi": -103.84929126064, + "phi": -88.2753432079344, "chainID": "A", - "sidechain_GLN": 12, - "ome": 175.536274408848, - "chi2": 70.0898426769776, - "chi3": 73.7232548356845, - "chi1": -72.0975362374365, + "sidechain_GLN": null, + "ome": 172.926726203925, + "chi2": null, + "chi3": null, + "chi1": 175.018083963484, "chi4": null, "chi5": null, - "a1": 122.39292486583, - "L4": 1.51349610511772, - "L5": 1.21837464319947, - "L2": 1.45314159370462, - "L3": 1.53131392501635, - "a7": 122.888429028748, - "L1": 1.3293959182688, + "a1": 123.195800224099, + "L4": 1.51882625297865, + "L5": 1.23057054115176, + "L2": 1.46560606480192, + "L3": 1.52052553043678, + "a7": 123.30421161775, + "L1": 1.30786135814855, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.519663603251, - "bs": 37.0, - "a2": 110.845455100343, - "a5": 119.270174943273, + "ss": "-", + "a3": 111.94954368233, + "bs": 9.0, + "a2": 111.009395093138, + "a5": 121.22794416802, "sidechain_LEU": null, - "chainIndex": 54, + "chainIndex": 100, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.281400863871 + "a4": 112.085527992748 } }, { - "pk": 273, + "pk": 279, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.888824968123, - "psi": 116.805101937517, - "oldID": "55", - "bg": 0.0, + "a6": 114.903689799211, + "psi": 99.7656956348898, + "oldID": "92", + "bg": 44.86, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.6628703551863, + "zeta": 34.9775937185558, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 274, + "next": 282, "sidechain_SER": null, - "bm": 34.0, + "bm": 46.0, "xpr": false, - "prev": 272, + "prev": 277, "terminal_flag": false, - "phi": -130.118725271785, + "phi": -125.143936238656, "chainID": "A", "sidechain_GLN": null, - "ome": 170.123322603981, - "chi2": null, + "ome": -176.601903339468, + "chi2": 85.1240609592257, "chi3": null, - "chi1": null, + "chi1": -59.5313394738722, "chi4": null, "chi5": null, - "a1": 121.214593000176, - "L4": 1.51667273706147, - "L5": 1.23191078311976, - "L2": 1.46505896694802, - "L3": 1.54302024576605, - "a7": 122.618818111413, - "L1": 1.33255700507336, + "a1": 121.347164786971, + "L4": 1.48998970130741, + "L5": 1.23162671315037, + "L2": 1.45651034884871, + "L3": 1.52386152036942, + "a7": 123.391922600862, + "L1": 1.31436358656865, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 13, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 109.849852859706, - "bs": 31.0, - "a2": 110.426215229151, - "a5": 120.469446912682, + "a3": 107.036394487906, + "bs": 43.0, + "a2": 110.128600239193, + "a5": 121.684326077133, "sidechain_LEU": null, - "chainIndex": 55, + "chainIndex": 92, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.975933521117 + "a4": 110.564089207604 } }, { - "pk": 274, + "pk": 280, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.487457736068, - "psi": 105.826963158332, - "oldID": "56", - "bg": 39.31, + "a6": 115.806776737753, + "psi": 31.9192725138282, + "oldID": "91", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.1844375705745, + "protein": "1MWW", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 275, + "next": 284, "sidechain_SER": null, - "bm": 34.0, + "bm": 42.0, "xpr": false, - "prev": 273, + "prev": 275, "terminal_flag": false, - "phi": -87.1005072893131, + "phi": 72.0686713821989, "chainID": "A", "sidechain_GLN": null, - "ome": -177.625140918061, + "ome": 179.226461716488, "chi2": null, "chi3": null, - "chi1": 178.99300351155, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.403943747535, - "L4": 1.54678930725047, - "L5": 1.23078916827056, - "L2": 1.44422960103328, - "L3": 1.53114707098344, - "a7": 120.848935826089, - "L1": 1.32408833946165, + "a1": 120.368861178688, + "L4": 1.52001109786272, + "L5": 1.2407326686334, + "L2": 1.45692589879712, + "L3": null, + "a7": 122.287307087516, + "L1": 1.33191923515449, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.635917067195, - "bs": 39.0, - "a2": 109.079189063492, - "a5": 120.660774923721, + "ss": "-", + "a3": 111.44343595334, + "bs": 0.0, + "a2": null, + "a5": 121.881573053139, "sidechain_LEU": null, - "chainIndex": 56, - "sidechain_HIS": 9, + "chainIndex": 91, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.175385052603 + "a4": null } }, { - "pk": 275, + "pk": 281, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWQA", "sidechain_ASP": null, - "a6": 117.579983176724, - "psi": 113.576763375198, - "oldID": "57", - "bg": 25.16, + "a6": null, + "psi": null, + "oldID": "98", + "bg": 9.1, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.7480572346786, - "sidechain_PHE": null, + "protein": "1MWQ", + "zeta": 33.5317132036604, + "sidechain_PHE": 13, "sidechain_LYS": null, - "sidechain_VAL": 18, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 276, + "next": null, "sidechain_SER": null, - "bm": 29.0, + "bm": 14.0, "xpr": false, - "prev": 274, - "terminal_flag": false, - "phi": -100.444413082775, + "prev": 278, + "terminal_flag": true, + "phi": -123.705814666778, "chainID": "A", "sidechain_GLN": null, - "ome": -176.481517335807, - "chi2": null, + "ome": null, + "chi2": 82.8455504557603, "chi3": null, - "chi1": -176.697163574185, + "chi1": -62.2176225458756, "chi4": null, "chi5": null, - "a1": 119.740572549172, - "L4": 1.52489066493265, - "L5": 1.21571616967429, - "L2": 1.471854884453, - "L3": 1.54769700299667, - "a7": 122.027919058003, - "L1": 1.32685857898249, + "a1": 125.460709356616, + "L4": 1.53812301080823, + "L5": 1.26748775552412, + "L2": 1.44785743674405, + "L3": 1.51255134081262, + "a7": null, + "L1": 1.34940563677897, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.940366345462, - "bs": 25.0, - "a2": 110.377554196587, - "a5": 120.349167311078, + "ss": "-", + "a3": 106.07798825128, + "bs": 10.0, + "a2": 113.258227518733, + "a5": 117.691149232251, "sidechain_LEU": null, - "chainIndex": 57, + "chainIndex": 101, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.837282586391 + "a4": 109.485164073842 } }, { - "pk": 276, + "pk": 282, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 12, + "aa": "a", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 114.910949719026, - "psi": 160.474517138825, - "oldID": "58", - "bg": 27.49, + "a6": 112.998768498867, + "psi": 179.819659714777, + "oldID": "93", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 39.0801784346775, + "zeta": 33.3548532465191, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 277, + "next": 283, "sidechain_SER": null, - "bm": 28.0, + "bm": 55.0, "xpr": false, - "prev": 275, + "prev": 279, "terminal_flag": false, - "phi": -72.4129654028042, + "phi": -111.93981588466, "chainID": "A", "sidechain_GLN": null, - "ome": -171.106358453091, - "chi2": -37.9169562282308, - "chi3": 32.7814521165274, - "chi1": 27.7627259254304, - "chi4": -15.3052078326791, + "ome": -175.101963353733, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 119.487385589349, - "L4": 1.51555156165116, - "L5": 1.24699658390503, - "L2": 1.46633732501786, - "L3": 1.5401838948524, - "a7": 124.072258812431, - "L1": 1.33679390019204, + "a1": 118.378784987115, + "L4": 1.50178994529722, + "L5": 1.23927449268476, + "L2": 1.42592117728613, + "L3": 1.52393101912091, + "a7": 124.447202832531, + "L1": 1.31506487788919, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -0.449705325402965, - "ss": "-", - "a3": 111.916023225005, - "bs": 27.0, - "a2": 103.29920734248, - "a5": 121.001593013579, + "omep": null, + "ss": "E", + "a3": 109.742161927739, + "bs": 54.0, + "a2": 110.81978053061, + "a5": 122.53172801069, "sidechain_LEU": null, - "chainIndex": 58, + "chainIndex": 93, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.12714429315 + "a4": 111.617830981011 } }, { - "pk": 277, + "pk": 283, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.058950393386, - "psi": -40.7670427992918, - "oldID": "59", - "bg": 0.0, + "a6": 116.6236069114, + "psi": 120.902242675231, + "oldID": "94", + "bg": 85.37, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.4467780799279, + "zeta": 36.1582542495655, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 278, + "next": 285, "sidechain_SER": null, - "bm": 27.0, + "bm": 76.0, "xpr": false, - "prev": 276, + "prev": 282, "terminal_flag": false, - "phi": -53.4280033621474, + "phi": -126.726782627253, "chainID": "A", - "sidechain_GLN": null, - "ome": -177.357301311229, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 14, + "ome": -176.336561529491, + "chi2": 160.769870269655, + "chi3": 56.6825008921085, + "chi1": 155.765290573531, "chi4": null, "chi5": null, - "a1": 122.741391335147, - "L4": 1.50591439562359, - "L5": 1.24350180685753, - "L2": 1.4468000250381, - "L3": 1.50376817392778, - "a7": 123.07789330617, - "L1": 1.31780171371659, + "a1": 122.685145104242, + "L4": 1.51142022547398, + "L5": 1.23810261437055, + "L2": 1.43002912476543, + "L3": 1.52009690264008, + "a7": 123.930330710588, + "L1": 1.31654202508298, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.522868405478, - "bs": 26.0, - "a2": 109.974861413819, - "a5": 119.825313990184, + "ss": "E", + "a3": 104.28012667634, + "bs": 88.0, + "a2": 108.715379510968, + "a5": 119.4291340782, "sidechain_LEU": null, - "chainIndex": 59, + "chainIndex": 94, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.250686778873 + "a4": 110.7414103296 } }, { - "pk": 278, + "pk": 284, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.53879065293, - "psi": -5.49231894640693, - "oldID": "60", - "bg": 30.7, + "a6": 114.372567571343, + "psi": 112.710414935627, + "oldID": "92", + "bg": 26.53, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 31.5812415168992, + "sidechain_ILE": 15, + "protein": "1MWW", + "zeta": 33.7643074483529, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 279, + "next": 286, "sidechain_SER": null, - "bm": 27.0, + "bm": 36.0, "xpr": false, - "prev": 277, + "prev": 280, "terminal_flag": false, - "phi": -66.9591336422079, + "phi": -99.5996651305301, "chainID": "A", "sidechain_GLN": null, - "ome": 178.41776973684, - "chi2": -80.0469012804951, - "chi3": 6.12739846049839, - "chi1": 74.4735923075987, + "ome": -177.505964073586, + "chi2": 163.126221974387, + "chi3": null, + "chi1": -67.4931629704553, "chi4": null, "chi5": null, - "a1": 119.82640746991, - "L4": 1.51701731069127, - "L5": 1.23263050332897, - "L2": 1.47658102794182, - "L3": 1.54327393263383, - "a7": 122.710507256173, - "L1": 1.33757818635658, + "a1": 120.463895520071, + "L4": 1.50146750536326, + "L5": 1.23816590068668, + "L2": 1.4577391950472, + "L3": 1.51296848365282, + "a7": 124.519587419919, + "L1": 1.32952607348737, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 28, + "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.816628970129, - "bs": 31.0, - "a2": 112.901084057632, - "a5": 119.731929434529, + "ss": "-", + "a3": 106.537349931823, + "bs": 28.0, + "a2": 111.339515408278, + "a5": 121.099609524989, "sidechain_LEU": null, - "chainIndex": 60, + "chainIndex": 92, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.221819863883 + "a4": 111.12996565488 } }, { - "pk": 279, + "pk": 285, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 115.839345815331, - "psi": 4.57585989822389, - "oldID": "61", - "bg": 30.56, + "sidechain_ASP": 16, + "a6": 114.909937780999, + "psi": 136.29343656084, + "oldID": "95", + "bg": 87.35, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.9768345555757, + "zeta": 31.39705750363, "sidechain_PHE": null, - "sidechain_LYS": 20, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 280, + "next": 287, "sidechain_SER": null, - "bm": 29.0, + "bm": 90.0, "xpr": false, - "prev": 278, + "prev": 283, "terminal_flag": false, - "phi": -122.098847394059, + "phi": -80.4558436013672, "chainID": "A", "sidechain_GLN": null, - "ome": 175.118298011936, - "chi2": -152.878161963272, - "chi3": -167.034279769957, - "chi1": -66.5693086657602, - "chi4": -154.864612009571, + "ome": -174.52818849185, + "chi2": 42.3877971558623, + "chi3": null, + "chi1": 77.9978995627627, + "chi4": null, "chi5": null, - "a1": 122.027597351902, - "L4": 1.51805928315394, - "L5": 1.22359407378131, - "L2": 1.48360075882444, - "L3": 1.51348256258986, - "a7": 124.462076248643, - "L1": 1.33541149288018, + "a1": 121.441408713159, + "L4": 1.52314946268496, + "L5": 1.23179996844908, + "L2": 1.4687827427583, + "L3": 1.540819874292, + "a7": 123.829209968683, + "L1": 1.33713834907799, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.249409536464, - "bs": 31.0, - "a2": 112.464204034973, - "a5": 119.698571645383, + "ss": "E", + "a3": 113.991262332351, + "bs": 87.0, + "a2": 112.261911505127, + "a5": 121.254547377326, "sidechain_LEU": null, - "chainIndex": 61, + "chainIndex": 95, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.291666592919 + "a4": 111.019100141979 } }, { - "pk": 280, + "pk": 286, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.934090257775, - "psi": -104.784937243236, - "oldID": "62", - "bg": 0.0, + "a6": 117.540435860869, + "psi": 128.977213522248, + "oldID": "93", + "bg": 48.37, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 32.8431295215051, + "protein": "1MWW", + "zeta": 34.9947233275681, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 281, + "next": 288, "sidechain_SER": null, - "bm": 31.0, + "bm": 35.0, "xpr": false, - "prev": 279, + "prev": 284, "terminal_flag": false, - "phi": -113.280715628476, + "phi": -56.4817246062891, "chainID": "A", "sidechain_GLN": null, - "ome": -174.983662641952, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 124.114723127502, - "L4": 1.56042279680231, - "L5": 1.22876454350037, - "L2": 1.46316409411212, - "L3": 1.53280881745137, - "a7": 121.673959721407, - "L1": 1.33413475886818, - "sidechain_ARG": null, + "ome": 177.878857352651, + "chi2": -154.917691896303, + "chi3": 72.7358129193948, + "chi1": -65.6320376414703, + "chi4": 57.8525037581546, + "chi5": 0.347901938599523, + "a1": 120.393623832622, + "L4": 1.50102242711615, + "L5": 1.235890237276, + "L2": 1.45088351664022, + "L3": 1.53964629790561, + "a7": 124.191312986969, + "L1": 1.33289284428822, + "sidechain_ARG": 14, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.042717235052, - "bs": 29.0, - "a2": 110.556744713404, - "a5": 119.391336177018, + "ss": "-", + "a3": 108.867929191444, + "bs": 54.0, + "a2": 111.001403139241, + "a5": 118.256924386477, "sidechain_LEU": null, - "chainIndex": 62, + "chainIndex": 93, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.001120931254 + "a4": 109.334796479072 } }, { - "pk": 281, + "pk": 287, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.06143035042, - "psi": 11.2354906593586, - "oldID": "63", - "bg": 30.76, + "a6": 117.246604094019, + "psi": -55.7066593027869, + "oldID": "96", + "bg": 116.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 29.7010084293153, + "zeta": 30.8767511518822, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 6, "sidechain_THR": null, "sidechain_TRP": null, - "next": 282, + "next": 289, "sidechain_SER": null, - "bm": 31.0, + "bm": 111.0, "xpr": false, - "prev": 280, + "prev": 285, "terminal_flag": false, - "phi": -100.683329355749, + "phi": -5.38714236377378, "chainID": "A", "sidechain_GLN": null, - "ome": 175.427892771243, - "chi2": -86.6734673029135, - "chi3": null, - "chi1": -67.740309640262, + "ome": -179.997946874965, + "chi2": -37.2774716071943, + "chi3": -75.8116495069865, + "chi1": -102.910510263418, "chi4": null, "chi5": null, - "a1": 120.057082766167, - "L4": 1.53671808144486, - "L5": 1.21966406941017, - "L2": 1.46815014462702, - "L3": 1.57122464547352, - "a7": 122.430388731266, - "L1": 1.33332305355779, + "a1": 123.819262659904, + "L4": 1.53387132810023, + "L5": 1.2319370355502, + "L2": 1.46815560344175, + "L3": 1.5325690601443, + "a7": 122.563751526278, + "L1": 1.32969174045534, "sidechain_ARG": null, - "sidechain_TYR": 12, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 112.1712247214, - "bs": 32.0, - "a2": 112.743382172828, - "a5": 120.50808324225, + "a3": 119.016776272102, + "bs": 120.0, + "a2": 110.707488746445, + "a5": 120.18502739144, "sidechain_LEU": null, - "chainIndex": 63, + "chainIndex": 96, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.718554208367 + "a4": 110.849091358731 } }, { - "pk": 282, + "pk": 288, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.037212061672, - "psi": -168.249927338708, - "oldID": "64", + "a6": 118.011835353939, + "psi": -33.5029515935687, + "oldID": "94", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": null, + "protein": "1MWW", + "zeta": 34.3743699239208, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 283, + "next": 290, "sidechain_SER": null, - "bm": 30.0, + "bm": 33.0, "xpr": false, - "prev": 281, + "prev": 286, "terminal_flag": false, - "phi": 72.0157127922503, + "phi": -46.4011952882068, "chainID": "A", "sidechain_GLN": null, - "ome": -177.275206878105, + "ome": -179.334904087969, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 122.051437045002, - "L4": 1.52354957960043, - "L5": 1.23605501059353, - "L2": 1.44660006309766, - "L3": null, - "a7": 122.835634186345, - "L1": 1.33227401501664, + "a1": 120.845094658402, + "L4": 1.53888701614098, + "L5": 1.23551353381862, + "L2": 1.46550453837832, + "L3": 1.54515373892964, + "a7": 121.791383863733, + "L1": 1.33977498491623, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 117.020670658992, - "bs": 0.0, - "a2": null, - "a5": 121.123463854885, + "ss": "G", + "a3": 110.575593017873, + "bs": 31.0, + "a2": 111.102496387685, + "a5": 120.196691915611, "sidechain_LEU": null, - "chainIndex": 64, + "chainIndex": 94, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.38114871972 } }, { - "pk": 283, + "pk": 289, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 13, + "aa": "e", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.106096822424, - "psi": 145.604382534641, - "oldID": "65", - "bg": 29.92, + "a6": 117.183894363917, + "psi": -21.4423688291239, + "oldID": "97", + "bg": 113.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 40.0668609333463, + "zeta": 33.6813891587435, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 284, + "next": 291, "sidechain_SER": null, - "bm": 28.0, + "bm": 120.0, "xpr": false, - "prev": 282, + "prev": 287, "terminal_flag": false, - "phi": -69.4193697645981, + "phi": -73.0671239678643, "chainID": "A", "sidechain_GLN": null, - "ome": 163.336344609936, - "chi2": -27.9119517745815, - "chi3": 25.0355018506768, - "chi1": 19.0459952997153, - "chi4": -13.2118950834228, + "ome": 177.527629229386, + "chi2": -140.197680803439, + "chi3": -30.9065420641857, + "chi1": 66.4730044815998, + "chi4": null, "chi5": null, - "a1": 124.538648201372, - "L4": 1.51912015773169, - "L5": 1.24236713375405, - "L2": 1.45881327014836, - "L3": 1.53758087699201, - "a7": 123.585074697868, - "L1": 1.34139251990499, + "a1": 120.803361989076, + "L4": 1.53700287919315, + "L5": 1.23407491635489, + "L2": 1.46289238768296, + "L3": 1.52704420675081, + "a7": 122.890988289132, + "L1": 1.32786852584797, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -0.370760543439745, - "ss": "-", - "a3": 112.887251736021, - "bs": 29.0, - "a2": 103.636288824971, - "a5": 120.30857901522, + "sidechain_GLU": 29, + "omep": null, + "ss": "T", + "a3": 112.744806890385, + "bs": 113.0, + "a2": 110.345651273022, + "a5": 119.92416105903, "sidechain_LEU": null, - "chainIndex": 65, + "chainIndex": 97, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.236936117429 + "a4": 110.24159295717 } }, { - "pk": 284, + "pk": 290, "model": "pgd_core.residue", "fields": { "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.970604083341, - "psi": 90.0564926279102, - "oldID": "66", - "bg": 30.61, + "a6": 116.403511181214, + "psi": -18.8706617601934, + "oldID": "95", + "bg": 36.38, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 36.3373020327364, + "protein": "1MWW", + "zeta": 34.3677083854576, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 285, + "next": 292, "sidechain_SER": null, - "bm": 30.0, + "bm": 26.0, "xpr": false, - "prev": 283, + "prev": 288, "terminal_flag": false, - "phi": -79.2494095253281, + "phi": -62.9600934560014, "chainID": "A", "sidechain_GLN": null, - "ome": -171.841991138542, + "ome": 179.841358915, "chi2": null, "chi3": null, - "chi1": -172.63112641125, + "chi1": -102.61846190645, "chi4": null, "chi5": null, - "a1": 120.622606894361, - "L4": 1.51663317430307, - "L5": 1.24404289775778, - "L2": 1.4456725692643, - "L3": 1.52093528519735, - "a7": 123.062963563015, - "L1": 1.33011900808504, + "a1": 119.546523139734, + "L4": 1.50601529920493, + "L5": 1.20894098296456, + "L2": 1.47405659381835, + "L3": 1.53593797941883, + "a7": 123.449224369067, + "L1": 1.33914340094484, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.610701663622, - "bs": 30.0, - "a2": 110.940084321138, - "a5": 120.963445801073, + "ss": "G", + "a3": 110.335692012896, + "bs": 34.0, + "a2": 112.362398249477, + "a5": 120.141348832459, "sidechain_LEU": null, - "chainIndex": 66, - "sidechain_HIS": 10, + "chainIndex": 95, + "sidechain_HIS": 9, "h_bond_energy": 0.0, - "a4": 107.541996405525 + "a4": 108.208664523944 } }, { - "pk": 285, + "pk": 291, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", - "sidechain_ASP": 16, - "a6": 117.740118817245, - "psi": 117.358991902558, - "oldID": "67", - "bg": 39.83, + "sidechain_ASP": null, + "a6": 116.886088769784, + "psi": -14.5690374188949, + "oldID": "98", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.6825936232809, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 286, + "next": 293, "sidechain_SER": null, - "bm": 32.0, + "bm": 109.0, "xpr": false, - "prev": 284, + "prev": 289, "terminal_flag": false, - "phi": -72.895521453602, + "phi": 129.61424700157, "chainID": "A", "sidechain_GLN": null, - "ome": -177.351323248305, - "chi2": -10.4599063871044, + "ome": -178.433004374719, + "chi2": null, "chi3": null, - "chi1": -179.420954698946, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.834613920566, - "L4": 1.55730056093204, - "L5": 1.2394984843884, - "L2": 1.46593710334851, - "L3": 1.52032330203816, - "a7": 121.698128391016, - "L1": 1.32219487650028, + "a1": 121.951650105783, + "L4": 1.52738049623354, + "L5": 1.23549630107073, + "L2": 1.47133002093958, + "L3": null, + "a7": 122.398260305424, + "L1": 1.33716297582619, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.365650613946, - "bs": 39.0, - "a2": 107.581290932763, - "a5": 120.560177352339, + "ss": "T", + "a3": 118.40777271473, + "bs": 0.0, + "a2": null, + "a5": 120.715650642627, "sidechain_LEU": null, - "chainIndex": 67, + "chainIndex": 98, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.551138452676 + "a4": null } }, { - "pk": 286, + "pk": 292, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 14, + "aa": "d", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 118.314905677464, - "psi": -22.8466046955495, - "oldID": "68", - "bg": 38.4, + "chain": "1MWWA", + "sidechain_ASP": 17, + "a6": 116.925874817492, + "psi": 12.7492674573579, + "oldID": "96", + "bg": 31.6, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 39.050358546851, + "protein": "1MWW", + "zeta": 32.2259193287138, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 287, + "next": 295, "sidechain_SER": null, - "bm": 37.0, + "bm": 26.0, "xpr": false, - "prev": 285, + "prev": 290, "terminal_flag": false, - "phi": -57.4471112297215, + "phi": -96.2113636279815, "chainID": "A", "sidechain_GLN": null, - "ome": -179.174627609608, - "chi2": -33.4146727787572, - "chi3": 32.9091103998804, - "chi1": 20.5928910322936, - "chi4": -20.8628917621174, + "ome": 176.810288237283, + "chi2": -21.7136807498162, + "chi3": null, + "chi1": -85.973568753534, + "chi4": null, "chi5": null, - "a1": 117.306390664379, - "L4": 1.53600125670403, - "L5": 1.23857158729808, - "L2": 1.46280565081529, - "L3": 1.54738481540471, - "a7": 121.790634041395, - "L1": 1.35476581012229, + "a1": 120.299804932846, + "L4": 1.53830486928543, + "L5": 1.23497238405098, + "L2": 1.44799715242762, + "L3": 1.52028165001378, + "a7": 122.624760060262, + "L1": 1.32462300448016, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 6.70720901891931, + "omep": null, "ss": "G", - "a3": 113.608028484637, - "bs": 36.0, - "a2": 103.742911709234, - "a5": 119.866330893634, + "a3": 113.805782545948, + "bs": 33.0, + "a2": 111.483929403405, + "a5": 120.447644518826, "sidechain_LEU": null, - "chainIndex": 68, + "chainIndex": 96, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.433913352301 + "a4": 110.653710674939 } }, { - "pk": 287, + "pk": 293, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 9, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.409837462197, - "psi": -9.65196317049768, - "oldID": "69", - "bg": 61.88, + "a6": 116.731710716666, + "psi": 161.576136666386, + "oldID": "99", + "bg": 99.68, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.7050935941755, + "zeta": 33.9397775153861, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 288, + "next": 294, "sidechain_SER": null, - "bm": 46.0, + "bm": 95.0, "xpr": false, - "prev": 286, + "prev": 291, "terminal_flag": false, - "phi": -78.0954397251573, + "phi": -65.1592207126246, "chainID": "A", "sidechain_GLN": null, - "ome": 171.81742004476, - "chi2": -178.764624186007, - "chi3": 32.2621155398131, - "chi1": -62.7655420094294, + "ome": 171.664057580901, + "chi2": -8.97622856529268, + "chi3": null, + "chi1": -49.0399280209238, "chi4": null, "chi5": null, - "a1": 118.318959205049, - "L4": 1.51115953202889, - "L5": 1.21839135409624, - "L2": 1.45395630596157, - "L3": 1.50446590191997, - "a7": 122.841635603488, - "L1": 1.3290761413809, + "a1": 121.686518150297, + "L4": 1.54594044146011, + "L5": 1.23734372226662, + "L2": 1.46121137099238, + "L3": 1.53460331095676, + "a7": 122.593552156267, + "L1": 1.32787552454721, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 29, + "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.873715942005, - "bs": 65.0, - "a2": 111.740418547065, - "a5": 119.74725390559, + "ss": "E", + "a3": 114.618375733515, + "bs": 99.0, + "a2": 109.596722802041, + "a5": 120.671600889782, "sidechain_LEU": null, - "chainIndex": 69, + "chainIndex": 99, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.023022599834 + "a4": 110.053841977072 } }, { - "pk": 288, + "pk": 294, "model": "pgd_core.residue", "fields": { - "aa": "g", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 17, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.97560197111, - "psi": 8.5125843098889, - "oldID": "70", - "bg": 0.0, + "a6": 116.199325897721, + "psi": 145.610550899907, + "oldID": "100", + "bg": 86.77, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": null, + "zeta": 39.720130395289, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 289, + "next": 296, "sidechain_SER": null, - "bm": 39.0, + "bm": 82.0, "xpr": false, - "prev": 287, + "prev": 293, "terminal_flag": false, - "phi": -77.7857570373108, + "phi": -57.1531361519729, "chainID": "A", "sidechain_GLN": null, - "ome": 178.489127308709, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.179241862377, + "chi2": 34.9631986202597, + "chi3": -28.2841542612103, + "chi1": -27.5474497327852, + "chi4": 10.7111523613122, "chi5": null, - "a1": 120.408517337281, - "L4": 1.50905177478193, - "L5": 1.19870576520513, - "L2": 1.44033688997209, - "L3": null, - "a7": 121.113511811919, - "L1": 1.33058287371833, + "a1": 121.417299515421, + "L4": 1.51869290245272, + "L5": 1.23023746368114, + "L2": 1.45823946232095, + "L3": 1.53305145246013, + "a7": 123.100079734199, + "L1": 1.35119469216433, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.59385966165, - "bs": 0.0, - "a2": null, - "a5": 119.9108446974, + "omep": -13.0260775296459, + "ss": "E", + "a3": 110.301026395208, + "bs": 86.0, + "a2": 103.391453855336, + "a5": 120.698752210839, "sidechain_LEU": null, - "chainIndex": 70, + "chainIndex": 100, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.299790595199 } }, { - "pk": 289, + "pk": 295, "model": "pgd_core.residue", "fields": { "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.586543406293, - "psi": 111.484091042074, - "oldID": "71", - "bg": 42.05, + "a6": 112.870664875222, + "psi": 140.71349481016, + "oldID": "97", + "bg": 29.37, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.0496425199083, + "protein": "1MWW", + "zeta": 27.9057196956026, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 19, + "sidechain_VAL": 23, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 290, + "next": 297, "sidechain_SER": null, - "bm": 44.0, + "bm": 24.0, "xpr": false, - "prev": 288, + "prev": 292, "terminal_flag": false, - "phi": -110.588129703264, + "phi": -125.441970730231, "chainID": "A", "sidechain_GLN": null, - "ome": -168.879986660048, + "ome": -177.140503962, "chi2": null, "chi3": null, - "chi1": -175.771436751729, + "chi1": 6.25014752667264, "chi4": null, "chi5": null, - "a1": 118.78610906094, - "L4": 1.50741546062371, - "L5": 1.21735734414812, - "L2": 1.45589323003996, - "L3": 1.55390932529134, - "a7": 122.488260428198, - "L1": 1.32653875622905, + "a1": 116.694528657095, + "L4": 1.53374733281342, + "L5": 1.23187997697847, + "L2": 1.4531757963445, + "L3": 1.61734319215857, + "a7": 123.432960679447, + "L1": 1.32376533343497, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 105.97509077417, - "bs": 40.0, - "a2": 112.656083146751, - "a5": 119.900019398174, + "a3": 115.08964550478, + "bs": 26.0, + "a2": 112.726665709679, + "a5": 123.594997856979, "sidechain_LEU": null, - "chainIndex": 71, + "chainIndex": 97, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.574917738017 + "a4": 114.827899890463 } }, { - "pk": 290, + "pk": 296, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.915425454878, - "psi": 161.54022951084, - "oldID": "72", - "bg": 55.34, + "a6": 117.387863262911, + "psi": 66.2027406198114, + "oldID": "101", + "bg": 71.65, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.2608025587065, + "zeta": 35.1304655120937, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 7, "sidechain_THR": null, "sidechain_TRP": null, - "next": 291, + "next": 298, "sidechain_SER": null, - "bm": 50.0, + "bm": 66.0, "xpr": false, - "prev": 289, + "prev": 294, "terminal_flag": false, - "phi": -131.315097837174, + "phi": -147.910644715164, "chainID": "A", - "sidechain_GLN": 13, - "ome": 177.646954721032, - "chi2": -69.0907472666498, - "chi3": -31.5984082757712, - "chi1": -65.5144027869027, + "sidechain_GLN": null, + "ome": 177.505545949264, + "chi2": 178.635701568371, + "chi3": 83.6728363834433, + "chi1": -174.848468842591, "chi4": null, "chi5": null, - "a1": 119.981536484583, - "L4": 1.51686658599811, - "L5": 1.22990430474573, - "L2": 1.46681105751743, - "L3": 1.52940402361514, - "a7": 122.069177616589, - "L1": 1.32949362154172, + "a1": 121.361310054853, + "L4": 1.51968945821629, + "L5": 1.22592973660281, + "L2": 1.44375858840062, + "L3": 1.54316023766653, + "a7": 122.611677402704, + "L1": 1.31988225830433, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 111.930721233958, - "bs": 59.0, - "a2": 110.436997400066, - "a5": 121.015251019835, + "a3": 104.215445978788, + "bs": 74.0, + "a2": 109.452156140185, + "a5": 119.902787737676, "sidechain_LEU": null, - "chainIndex": 72, + "chainIndex": 101, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.729002326431 + "a4": 111.867062103705 } }, { - "pk": 291, + "pk": 297, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.466552447767, - "psi": 130.051506338538, - "oldID": "73", - "bg": 62.57, + "a6": 115.84108121951, + "psi": 136.018596207844, + "oldID": "98", + "bg": 20.76, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.5401060967307, + "protein": "1MWW", + "zeta": 37.1576942338329, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 20, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 292, + "next": 299, "sidechain_SER": null, - "bm": 59.0, + "bm": 16.0, "xpr": false, - "prev": 290, + "prev": 295, "terminal_flag": false, - "phi": -99.3036477165559, + "phi": -127.069561842425, "chainID": "A", "sidechain_GLN": null, - "ome": -179.345950737796, - "chi2": null, - "chi3": null, - "chi1": 178.084088481894, + "ome": -178.343801463134, + "chi2": -166.992966865056, + "chi3": -51.4216202105618, + "chi1": -174.473145838326, "chi4": null, "chi5": null, - "a1": 119.247399754359, - "L4": 1.52561666898172, - "L5": 1.22426993127741, - "L2": 1.45279436018169, - "L3": 1.55740319216845, - "a7": 123.166044853056, - "L1": 1.32155735462854, + "a1": 123.142059771832, + "L4": 1.49959196109635, + "L5": 1.20471240367818, + "L2": 1.43373026312746, + "L3": 1.5696555944165, + "a7": 123.724372079845, + "L1": 1.32233466258952, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 30, "omep": null, "ss": "E", - "a3": 107.697028860049, - "bs": 61.0, - "a2": 111.664381413546, - "a5": 119.364416030937, + "a3": 102.583206466324, + "bs": 20.0, + "a2": 108.96020599992, + "a5": 120.406572879171, "sidechain_LEU": null, - "chainIndex": 73, + "chainIndex": 98, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.241842313105 + "a4": 109.968380987747 } }, { - "pk": 292, + "pk": 298, "model": "pgd_core.residue", "fields": { - "aa": "v", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 18, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 118.001178991297, - "psi": 154.153281223209, - "oldID": "74", - "bg": 53.29, + "a6": 117.62643734381, + "psi": 147.759067017224, + "oldID": "102", + "bg": 55.73, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.5360677285412, + "zeta": 38.4141883003776, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 21, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 293, + "next": 300, "sidechain_SER": null, - "bm": 55.0, + "bm": 53.0, "xpr": false, - "prev": 291, + "prev": 296, "terminal_flag": false, - "phi": -134.432968061019, + "phi": -61.2003761592496, "chainID": "A", "sidechain_GLN": null, - "ome": -177.075217069063, - "chi2": null, - "chi3": null, - "chi1": -53.351419335033, - "chi4": null, + "ome": 178.277096833218, + "chi2": 28.024456311199, + "chi3": -24.3755347253412, + "chi1": -20.3082602726189, + "chi4": 11.4662224387079, "chi5": null, - "a1": 123.11132797542, - "L4": 1.53113530148346, - "L5": 1.23138241739528, - "L2": 1.48012058845433, - "L3": 1.54824050564966, - "a7": 122.082454597281, - "L1": 1.33728991199615, + "a1": 117.69176758562, + "L4": 1.51829663223798, + "L5": 1.2300038048429, + "L2": 1.45551688759561, + "L3": 1.5367683826357, + "a7": 122.314848195197, + "L1": 1.34627353213125, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -8.16619618193351, "ss": "E", - "a3": 109.943550933119, - "bs": 52.0, - "a2": 112.181739087532, - "a5": 119.904297274067, + "a3": 109.003266397293, + "bs": 55.0, + "a2": 104.095620929747, + "a5": 120.017972333627, "sidechain_LEU": null, - "chainIndex": 74, + "chainIndex": 102, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.680734663019 + "a4": 110.84804996646 } }, { - "pk": 293, + "pk": 299, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 15, + "aa": "i", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.103338739674, - "psi": 147.680724351752, - "oldID": "75", - "bg": 63.13, + "a6": 115.955707374714, + "psi": 141.761311692323, + "oldID": "99", + "bg": 25.13, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 37.5659519842292, + "sidechain_ILE": 16, + "protein": "1MWW", + "zeta": 37.1934200662612, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 294, + "next": 301, "sidechain_SER": null, - "bm": 55.0, + "bm": 19.0, "xpr": false, - "prev": 292, + "prev": 297, "terminal_flag": false, - "phi": -73.7911961666401, + "phi": -139.196365868837, "chainID": "A", "sidechain_GLN": null, - "ome": 174.14997741902, - "chi2": -30.6798620978369, - "chi3": 24.085113243682, - "chi1": 24.1675824988654, - "chi4": -8.46843723503696, + "ome": 174.248616171277, + "chi2": 160.429981066676, + "chi3": null, + "chi1": -66.6568605866672, + "chi4": null, "chi5": null, - "a1": 116.246088056567, - "L4": 1.55215647938504, - "L5": 1.23506488700659, - "L2": 1.47842568066739, - "L3": 1.53442122823203, - "a7": 123.325415483408, - "L1": 1.34775453307335, + "a1": 123.39418610025, + "L4": 1.51936449355971, + "L5": 1.23843297037706, + "L2": 1.43894083439377, + "L3": 1.59171254220626, + "a7": 122.942209028057, + "L1": 1.3102331462319, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -2.84315848415825, + "omep": null, "ss": "E", - "a3": 114.026354246164, - "bs": 61.0, - "a2": 103.40385816364, - "a5": 120.570268635904, + "a3": 109.82330831072, + "bs": 24.0, + "a2": 110.345994678932, + "a5": 121.101835852325, "sidechain_LEU": null, - "chainIndex": 75, + "chainIndex": 99, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.35514734286 + "a4": 107.104477294929 } }, { - "pk": 294, + "pk": 300, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -80711,426 +68973,426 @@ "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.181109301511, - "psi": -41.312045388125, - "oldID": "76", - "bg": 48.3, + "a6": 116.155813697413, + "psi": 155.709734899962, + "oldID": "103", + "bg": 51.2, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.2065694667495, + "zeta": 30.619897392228, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 295, + "next": 302, "sidechain_SER": null, - "bm": 50.0, + "bm": 43.0, "xpr": false, - "prev": 293, + "prev": 298, "terminal_flag": false, - "phi": -48.5209179207838, + "phi": -143.592008820663, "chainID": "A", "sidechain_GLN": null, - "ome": -177.114844339178, - "chi2": 49.9997565244307, + "ome": -179.432173046901, + "chi2": 108.124670743379, "chi3": null, - "chi1": -169.898251019671, + "chi1": 45.0091088790067, "chi4": null, "chi5": null, - "a1": 123.705263511236, - "L4": 1.53157908170698, - "L5": 1.225384740545, - "L2": 1.44942009053632, - "L3": 1.5304761445518, - "a7": 122.233279856517, - "L1": 1.33725410921536, + "a1": 118.512408785326, + "L4": 1.51934607085903, + "L5": 1.21977589811057, + "L2": 1.445944811454, + "L3": 1.51907953169896, + "a7": 122.64087478744, + "L1": 1.32869249065375, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.083774447186, - "bs": 48.0, - "a2": 109.640649551703, - "a5": 120.576611697178, - "sidechain_LEU": 29, - "chainIndex": 76, + "ss": "E", + "a3": 113.086030042248, + "bs": 51.0, + "a2": 110.483140006992, + "a5": 121.103244085705, + "sidechain_LEU": 30, + "chainIndex": 103, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.272843724825 + "a4": 114.112951896174 } }, { - "pk": 295, + "pk": 301, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.624553429409, - "psi": -12.5520015664059, - "oldID": "77", - "bg": 70.3, + "a6": 116.976849750726, + "psi": 132.837439455932, + "oldID": "100", + "bg": 21.58, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.5510335692261, + "protein": "1MWW", + "zeta": 35.4548487007872, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 10, "sidechain_TRP": null, - "next": 296, - "sidechain_SER": 8, - "bm": 61.0, + "next": 303, + "sidechain_SER": null, + "bm": 17.0, "xpr": false, - "prev": 294, + "prev": 299, "terminal_flag": false, - "phi": -65.0043242467041, + "phi": -139.850717343432, "chainID": "A", "sidechain_GLN": null, - "ome": 173.039957700769, + "ome": 177.119284836596, "chi2": null, "chi3": null, - "chi1": 19.4542565328749, + "chi1": -46.377951659333, "chi4": null, "chi5": null, - "a1": 121.391231323763, - "L4": 1.52196271819148, - "L5": 1.22654339185288, - "L2": 1.46460660736734, - "L3": 1.51919301284765, - "a7": 122.815391624223, - "L1": 1.32563829228548, + "a1": 118.534910816495, + "L4": 1.52912090956131, + "L5": 1.20499944590987, + "L2": 1.44241035861485, + "L3": 1.53331764679819, + "a7": 122.965502919243, + "L1": 1.32773754071511, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.505035067482, - "bs": 68.0, - "a2": 109.886496462285, - "a5": 120.560048209536, + "ss": "E", + "a3": 110.504580645059, + "bs": 23.0, + "a2": 111.657430697976, + "a5": 120.040330666606, "sidechain_LEU": null, - "chainIndex": 77, + "chainIndex": 100, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.601126470041 + "a4": 107.319735372868 } }, { - "pk": 296, + "pk": 302, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.663084110816, - "psi": -26.6474080592872, - "oldID": "78", - "bg": 0.0, + "a6": 115.960133483869, + "psi": 128.826705303444, + "oldID": "104", + "bg": 36.46, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.2192555962916, + "zeta": 36.243820660404, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 11, "sidechain_TRP": null, - "next": 297, + "next": 304, "sidechain_SER": null, - "bm": 59.0, + "bm": 34.0, "xpr": false, - "prev": 295, + "prev": 300, "terminal_flag": false, - "phi": -64.6260127345464, + "phi": -127.112350947551, "chainID": "A", "sidechain_GLN": null, - "ome": 176.334404964525, + "ome": 174.423959219326, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -56.9036812146553, "chi4": null, "chi5": null, - "a1": 121.850061036874, - "L4": 1.53952335194042, - "L5": 1.22012674167444, - "L2": 1.45078829110902, - "L3": 1.53252240898888, - "a7": 121.889853584857, - "L1": 1.32489549008344, + "a1": 120.628723701671, + "L4": 1.50874564389413, + "L5": 1.22859189243166, + "L2": 1.43348269925117, + "L3": 1.51786035706185, + "a7": 123.521743987774, + "L1": 1.32203138975064, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.737925708329, - "bs": 57.0, - "a2": 109.94492187037, - "a5": 120.44496581918, + "ss": "E", + "a3": 108.838008968342, + "bs": 35.0, + "a2": 111.069110055606, + "a5": 120.511623003433, "sidechain_LEU": null, - "chainIndex": 78, + "chainIndex": 104, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.671966550182 + "a4": 107.16186996014 } }, { - "pk": 297, + "pk": 303, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.074529328099, - "psi": 151.181870091575, - "oldID": "79", - "bg": 44.25, + "a6": 114.548708491051, + "psi": 123.460519370625, + "oldID": "101", + "bg": 22.98, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.2791489501106, - "sidechain_PHE": 13, + "sidechain_ILE": 17, + "protein": "1MWW", + "zeta": 34.3464983337771, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 298, + "next": 305, "sidechain_SER": null, - "bm": 55.0, + "bm": 18.0, "xpr": false, - "prev": 296, + "prev": 301, "terminal_flag": false, - "phi": -86.4525884764598, + "phi": -102.506199018927, "chainID": "A", "sidechain_GLN": null, - "ome": 167.436568402819, - "chi2": 80.8904445374922, + "ome": 178.058845271105, + "chi2": 50.1677776240008, "chi3": null, - "chi1": -66.7960613600529, + "chi1": -72.6506966062263, "chi4": null, "chi5": null, - "a1": 121.736621493994, - "L4": 1.53495884037135, - "L5": 1.22550310111055, - "L2": 1.47412002172236, - "L3": 1.51991066925335, - "a7": 122.248492715791, - "L1": 1.33089733049429, + "a1": 120.81934118268, + "L4": 1.52551975940552, + "L5": 1.23719334815338, + "L2": 1.43635087729857, + "L3": 1.58851858218088, + "a7": 121.899043180774, + "L1": 1.30859592303405, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 113.059244474592, - "bs": 43.0, - "a2": 109.047998365462, - "a5": 119.676969551984, + "ss": "E", + "a3": 105.775964856955, + "bs": 27.0, + "a2": 112.5496960311, + "a5": 123.54724352291, "sidechain_LEU": null, - "chainIndex": 79, + "chainIndex": 101, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.114774141901 + "a4": 110.189096316474 } }, { - "pk": 298, + "pk": 304, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 16, + "aa": "v", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.860800883415, - "psi": 137.795158870977, - "oldID": "80", - "bg": 56.27, + "a6": 118.868722019804, + "psi": 120.994498036801, + "oldID": "105", + "bg": 31.13, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 38.8997265030224, + "zeta": 35.3524419707719, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 24, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 299, + "next": 306, "sidechain_SER": null, - "bm": 58.0, + "bm": 32.0, "xpr": false, - "prev": 297, + "prev": 302, "terminal_flag": false, - "phi": -48.6577086085303, + "phi": -78.627541410181, "chainID": "A", "sidechain_GLN": null, - "ome": -173.093910596455, - "chi2": -12.263448148084, - "chi3": 19.5757339008922, - "chi1": -0.270947481753861, - "chi4": -20.2940142914975, + "ome": 179.054013681859, + "chi2": null, + "chi3": null, + "chi1": 172.932399976814, + "chi4": null, "chi5": null, - "a1": 118.678457594313, - "L4": 1.53773008355978, - "L5": 1.23563526520269, - "L2": 1.46896411671095, - "L3": 1.52821216822034, - "a7": 122.482333498286, - "L1": 1.34618967641973, + "a1": 120.690822341404, + "L4": 1.52015011240157, + "L5": 1.19321230913102, + "L2": 1.45273524462759, + "L3": 1.53599823639716, + "a7": 121.606775643938, + "L1": 1.32769890559364, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -12.1448517516493, - "ss": "-", - "a3": 111.115081057049, - "bs": 57.0, - "a2": 103.851047716098, - "a5": 120.654869882948, + "omep": null, + "ss": "E", + "a3": 109.402704425382, + "bs": 31.0, + "a2": 111.256209964678, + "a5": 119.502437545128, "sidechain_LEU": null, - "chainIndex": 80, + "chainIndex": 105, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.664818913764 + "a4": 108.209016989744 } }, { - "pk": 299, + "pk": 305, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.37233876386, - "psi": -15.9188604166125, - "oldID": "81", - "bg": 76.8, + "a6": 117.699322537776, + "psi": 131.251409645079, + "oldID": "102", + "bg": 27.12, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.3117222050009, + "protein": "1MWW", + "zeta": 35.4925007411758, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 20, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 300, + "next": 308, "sidechain_SER": null, - "bm": 65.0, + "bm": 20.0, "xpr": false, - "prev": 298, + "prev": 303, "terminal_flag": false, - "phi": -64.2333047237489, + "phi": -107.97199538605, "chainID": "A", "sidechain_GLN": null, - "ome": 176.311883340326, - "chi2": 161.039625170647, - "chi3": -5.80187869702137, - "chi1": 47.734245894409, - "chi4": null, + "ome": 179.65577277056, + "chi2": -165.830863562787, + "chi3": -176.055677650615, + "chi1": -55.9962553842312, + "chi4": -158.198196709003, "chi5": null, - "a1": 121.263230753769, - "L4": 1.53264275742053, - "L5": 1.23132147539778, - "L2": 1.46552068342301, - "L3": 1.52375433732748, - "a7": 122.449659263356, - "L1": 1.32703185505272, + "a1": 121.653093723613, + "L4": 1.50391334182356, + "L5": 1.21881970001263, + "L2": 1.42228073677827, + "L3": 1.51624738073629, + "a7": 121.85840404319, + "L1": 1.31098493712357, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 30, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.460494686728, - "bs": 79.0, - "a2": 110.283715899087, - "a5": 119.163252385084, + "ss": "E", + "a3": 106.825299340895, + "bs": 28.0, + "a2": 109.012641896921, + "a5": 120.394649846159, "sidechain_LEU": null, - "chainIndex": 81, + "chainIndex": 102, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.849415089367 + "a4": 111.004196376769 } }, { - "pk": 300, + "pk": 306, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", - "sidechain_ASP": 17, - "a6": 116.59602535118, - "psi": 16.8813545668923, - "oldID": "82", - "bg": 68.57, + "sidechain_ASP": null, + "a6": 117.726657778638, + "psi": -21.8298919079435, + "oldID": "106", + "bg": 37.32, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 32.6514399704662, + "zeta": 32.4324361345244, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 25, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 301, + "next": 307, "sidechain_SER": null, - "bm": 58.0, + "bm": 38.0, "xpr": false, - "prev": 299, + "prev": 304, "terminal_flag": false, - "phi": -106.858661479749, + "phi": -103.671981570676, "chainID": "A", "sidechain_GLN": null, - "ome": -176.853871067951, - "chi2": -10.730276097916, + "ome": -178.771530998971, + "chi2": null, "chi3": null, - "chi1": -78.4219442478985, + "chi1": -48.4295120588987, "chi4": null, "chi5": null, - "a1": 120.515939279506, - "L4": 1.54978806769135, - "L5": 1.23098373520217, - "L2": 1.4765246300475, - "L3": 1.53725548491833, - "a7": 122.000939625027, - "L1": 1.33518595536659, + "a1": 119.801516888121, + "L4": 1.53893103121737, + "L5": 1.23784056189993, + "L2": 1.44661710062886, + "L3": 1.57670035498174, + "a7": 122.684290195527, + "L1": 1.3194085341103, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.12304981799, - "bs": 68.0, - "a2": 110.569937929665, - "a5": 121.402801440927, + "ss": "E", + "a3": 113.411825779126, + "bs": 38.0, + "a2": 113.247655903998, + "a5": 119.586166733854, "sidechain_LEU": null, - "chainIndex": 82, + "chainIndex": 106, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.859194234754 + "a4": 109.290414991086 } }, { - "pk": 301, + "pk": 307, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -81138,121 +69400,121 @@ "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.502274639764, - "psi": 150.600265920172, - "oldID": "83", + "a6": 116.935683462449, + "psi": 149.295386669459, + "oldID": "107", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 35.6335072888102, + "zeta": 33.2131669380169, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 302, + "next": 309, "sidechain_SER": null, - "bm": 44.0, + "bm": 43.0, "xpr": false, - "prev": 300, + "prev": 306, "terminal_flag": false, - "phi": -82.3385987002311, + "phi": -157.761478189077, "chainID": "A", "sidechain_GLN": null, - "ome": 178.176998466771, + "ome": -178.662420801259, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.29656433737, - "L4": 1.51313709760088, - "L5": 1.2176812254336, - "L2": 1.4361499044248, - "L3": 1.53428189304894, - "a7": 122.403116318533, - "L1": 1.31800906366707, + "a1": 121.189723897159, + "L4": 1.51976157731865, + "L5": 1.22396987403131, + "L2": 1.47184126875107, + "L3": 1.57031953161449, + "a7": 122.398491805416, + "L1": 1.33554300097653, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.079519784638, - "bs": 44.0, - "a2": 110.219738651199, - "a5": 121.075334511852, + "ss": "E", + "a3": 112.518299840261, + "bs": 46.0, + "a2": 111.154794598459, + "a5": 120.665489290429, "sidechain_LEU": null, - "chainIndex": 83, + "chainIndex": 107, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.333355604662 + "a4": 110.630657967276 } }, { - "pk": 302, + "pk": 308, "model": "pgd_core.residue", "fields": { "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.067111456555, - "psi": 102.835391943985, - "oldID": "84", - "bg": 39.92, + "a6": 116.952159133229, + "psi": 147.149841218368, + "oldID": "103", + "bg": 26.09, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.19614847872, + "protein": "1MWW", + "zeta": 34.5941287019915, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 303, + "next": 310, "sidechain_SER": null, - "bm": 37.0, + "bm": 21.0, "xpr": false, - "prev": 301, + "prev": 305, "terminal_flag": false, - "phi": -90.9961028981226, + "phi": -119.820497001539, "chainID": "A", "sidechain_GLN": null, - "ome": -177.089683996249, - "chi2": 174.774493891325, - "chi3": 83.9113118184401, - "chi1": 169.985871898878, + "ome": 176.150344327857, + "chi2": -174.040133352167, + "chi3": -82.1630071837309, + "chi1": -52.5260288135144, "chi4": null, "chi5": null, - "a1": 119.8187858356, - "L4": 1.53098156214146, - "L5": 1.23503280303712, - "L2": 1.41857573626313, - "L3": 1.51749141813169, - "a7": 122.865093725904, - "L1": 1.31975680483248, + "a1": 116.656400599031, + "L4": 1.50682291310453, + "L5": 1.21690662888216, + "L2": 1.45514835479931, + "L3": 1.53766041383384, + "a7": 123.492394832919, + "L1": 1.32693101488976, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": 31, "omep": null, - "ss": "-", - "a3": 106.95172373235, - "bs": 41.0, - "a2": 109.540090817876, - "a5": 121.050775044825, + "ss": "E", + "a3": 111.362090113927, + "bs": 32.0, + "a2": 111.545736631313, + "a5": 119.554007392452, "sidechain_LEU": null, - "chainIndex": 84, + "chainIndex": 103, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.327171799525 + "a4": 108.536073407732 } }, { - "pk": 303, + "pk": 309, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -81260,182 +69522,182 @@ "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.685927284929, - "psi": 103.621113771668, - "oldID": "85", - "bg": 34.39, + "a6": 116.664490571635, + "psi": 122.337374711353, + "oldID": "108", + "bg": 48.07, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.0702105853869, + "zeta": 34.7507823827887, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 22, + "sidechain_VAL": 26, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 304, + "next": 311, "sidechain_SER": null, - "bm": 35.0, + "bm": 51.0, "xpr": false, - "prev": 302, + "prev": 307, "terminal_flag": false, - "phi": -105.360444628259, + "phi": -137.880303688703, "chainID": "A", "sidechain_GLN": null, - "ome": -177.503825331471, + "ome": -178.979561615904, "chi2": null, "chi3": null, - "chi1": -174.967392845189, + "chi1": -177.902804605355, "chi4": null, "chi5": null, - "a1": 121.080002274092, - "L4": 1.52915942925854, - "L5": 1.22667752063429, - "L2": 1.43961116728209, - "L3": 1.53613969749955, - "a7": 122.259151712029, - "L1": 1.32879962665064, + "a1": 119.726086634159, + "L4": 1.5047432094567, + "L5": 1.21639891231252, + "L2": 1.44426646458207, + "L3": 1.52609119583292, + "a7": 123.831659237636, + "L1": 1.32248320152002, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.394394275812, - "bs": 34.0, - "a2": 111.082455770929, - "a5": 121.053447670281, + "ss": "E", + "a3": 108.217731499485, + "bs": 46.0, + "a2": 112.313534151495, + "a5": 119.501053742933, "sidechain_LEU": null, - "chainIndex": 85, + "chainIndex": 108, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.327406838441 + "a4": 108.384087147127 } }, { - "pk": 304, + "pk": 310, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.27827398278, - "psi": 154.972543279575, - "oldID": "86", - "bg": 33.34, + "a6": 116.937680572436, + "psi": 146.630628060066, + "oldID": "104", + "bg": 13.93, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.1330277116816, + "protein": "1MWW", + "zeta": 33.2595388595397, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 23, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 305, + "next": 313, "sidechain_SER": null, - "bm": 32.0, + "bm": 17.0, "xpr": false, - "prev": 303, + "prev": 308, "terminal_flag": false, - "phi": -146.035326303459, + "phi": -135.271695185026, "chainID": "A", - "sidechain_GLN": null, - "ome": 177.808306606968, - "chi2": null, - "chi3": null, - "chi1": -61.3302643870181, + "sidechain_GLN": 15, + "ome": 179.195625498608, + "chi2": 80.7725565278439, + "chi3": 23.729830843616, + "chi1": -51.5976889111631, "chi4": null, "chi5": null, - "a1": 120.841675673202, - "L4": 1.54522683914319, - "L5": 1.22066045927945, - "L2": 1.45725570448909, - "L3": 1.55097536202631, - "a7": 121.415256436442, - "L1": 1.32698294433845, + "a1": 118.64300311948, + "L4": 1.53252867719785, + "L5": 1.22697057334041, + "L2": 1.46395073725858, + "L3": 1.57199693810847, + "a7": 121.923786502461, + "L1": 1.3347427913446, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.177088398048, - "bs": 32.0, - "a2": 110.772587468064, - "a5": 121.295932678309, + "ss": "E", + "a3": 108.740417441327, + "bs": 21.0, + "a2": 112.213083521797, + "a5": 121.133946080619, "sidechain_LEU": null, - "chainIndex": 86, + "chainIndex": 104, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.884709598098 + "a4": 110.816613612358 } }, { - "pk": 305, + "pk": 311, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 17, + "aa": "e", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.471802994991, - "psi": 130.343231168029, - "oldID": "87", - "bg": 36.18, + "a6": 116.435386137944, + "psi": 91.8338568278204, + "oldID": "109", + "bg": 75.36, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 38.9638857777856, + "zeta": 35.3689238512879, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 306, + "next": 312, "sidechain_SER": null, - "bm": 34.0, + "bm": 65.0, "xpr": false, - "prev": 304, + "prev": 309, "terminal_flag": false, - "phi": -47.3700905525982, + "phi": -135.942057160566, "chainID": "A", "sidechain_GLN": null, - "ome": 175.522343594825, - "chi2": 22.7343886954411, - "chi3": -8.53124821973061, - "chi1": -27.7415596971489, - "chi4": -10.2786153659776, + "ome": -177.911965553286, + "chi2": -43.5617399214348, + "chi3": -35.4293177839291, + "chi1": -79.5318662171031, + "chi4": null, "chi5": null, - "a1": 116.800120619145, - "L4": 1.52732520718948, - "L5": 1.22427146251298, - "L2": 1.46772247981073, - "L3": 1.55377936676728, - "a7": 123.854715536823, - "L1": 1.32797031313251, + "a1": 122.840676112074, + "L4": 1.51890563426927, + "L5": 1.23709143183689, + "L2": 1.46841158733645, + "L3": 1.52715319985134, + "a7": 123.211518531616, + "L1": 1.33191240847644, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -14.8706613951854, - "ss": "T", - "a3": 112.59506350698, - "bs": 35.0, - "a2": 102.908307191518, - "a5": 119.644836129492, + "sidechain_GLU": 32, + "omep": null, + "ss": "E", + "a3": 112.203056506183, + "bs": 76.0, + "a2": 110.536142608564, + "a5": 120.349890383924, "sidechain_LEU": null, - "chainIndex": 87, + "chainIndex": 109, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.648406097786 + "a4": 107.940468576578 } }, { - "pk": 306, + "pk": 312, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -81443,9 +69705,9 @@ "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.711447037008, - "psi": -16.6923153367629, - "oldID": "88", + "a6": 117.38491175739, + "psi": -122.886884501141, + "oldID": "110", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, @@ -81457,609 +69719,609 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 307, + "next": 314, "sidechain_SER": null, - "bm": 33.0, + "bm": 66.0, "xpr": false, - "prev": 305, + "prev": 311, "terminal_flag": false, - "phi": 95.3592871355897, + "phi": 66.3925215049223, "chainID": "A", "sidechain_GLN": null, - "ome": -179.77587869037, + "ome": 178.129754886555, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 124.220829206037, - "L4": 1.52885241637687, - "L5": 1.2336976625247, - "L2": 1.45947780512554, + "a1": 120.357330869002, + "L4": 1.51168430035875, + "L5": 1.22870966530832, + "L2": 1.45276468774298, "L3": null, - "a7": 121.760617669143, - "L1": 1.33989747580485, + "a7": 122.74084260794, + "L1": 1.32821554288425, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 113.640710421423, + "a3": 107.355437410817, "bs": 0.0, "a2": null, - "a5": 120.523228276716, + "a5": 119.852342175973, "sidechain_LEU": null, - "chainIndex": 88, + "chainIndex": 110, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null } }, { - "pk": 307, + "pk": 313, "model": "pgd_core.residue", "fields": { - "aa": "a", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 19, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.06811814017, - "psi": 139.426641700363, - "oldID": "89", - "bg": 0.0, + "a6": 115.954790893618, + "psi": 143.829652436423, + "oldID": "105", + "bg": 30.53, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 32.5788523054251, + "protein": "1MWW", + "zeta": 38.8318570265599, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 308, + "next": 315, "sidechain_SER": null, - "bm": 32.0, + "bm": 21.0, "xpr": false, - "prev": 306, + "prev": 310, "terminal_flag": false, - "phi": -62.0603148340098, + "phi": -49.7482296074439, "chainID": "A", "sidechain_GLN": null, - "ome": -178.937148735056, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 177.184384140749, + "chi2": 41.1386493692426, + "chi3": -37.2337898558291, + "chi1": -27.4367034546388, + "chi4": 20.7286444463366, "chi5": null, - "a1": 119.913935969397, - "L4": 1.5561638156299, - "L5": 1.23511576547942, - "L2": 1.47522238853757, - "L3": 1.54113455862373, - "a7": 122.456757324502, - "L1": 1.33153411354022, + "a1": 122.076848541697, + "L4": 1.54807511618324, + "L5": 1.2371194719224, + "L2": 1.46845882084112, + "L3": 1.52241243865344, + "a7": 122.374932468769, + "L1": 1.33982215808282, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 7.46771705935779, "ss": "-", - "a3": 112.217797364379, - "bs": 31.0, - "a2": 110.915720511234, - "a5": 121.47496081037, + "a3": 109.604268857567, + "bs": 26.0, + "a2": 102.734691943159, + "a5": 121.634533834389, "sidechain_LEU": null, - "chainIndex": 89, + "chainIndex": 105, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.335486837386 + "a4": 110.932627080106 } }, { - "pk": 308, + "pk": 314, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.302427076274, - "psi": 142.072372731629, - "oldID": "90", - "bg": 46.89, + "a6": 117.219090176763, + "psi": 0.414368855398492, + "oldID": "111", + "bg": 80.01, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 36.8715709864743, + "zeta": 33.739802088469, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 309, + "next": 316, "sidechain_SER": null, - "bm": 37.0, + "bm": 68.0, "xpr": false, - "prev": 307, + "prev": 312, "terminal_flag": false, - "phi": -103.787263390484, + "phi": -87.1753359193324, "chainID": "A", - "sidechain_GLN": 14, - "ome": 172.35495243097, - "chi2": -80.8780187017444, - "chi3": 173.185104434468, - "chi1": -47.0971003077439, + "sidechain_GLN": null, + "ome": -177.371174945662, + "chi2": -52.125584061845, + "chi3": -64.141167983032, + "chi1": -52.1009300728993, "chi4": null, "chi5": null, - "a1": 122.563894055631, - "L4": 1.51425108326581, - "L5": 1.2222817868436, - "L2": 1.46055993970248, - "L3": 1.51841622306882, - "a7": 122.389076200342, - "L1": 1.33050811071306, + "a1": 120.950223265788, + "L4": 1.52896906106027, + "L5": 1.23182447377687, + "L2": 1.45971508925582, + "L3": 1.53107390300119, + "a7": 122.509558243349, + "L1": 1.32974833010992, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 33, "omep": null, - "ss": "E", - "a3": 108.98771679068, - "bs": 47.0, - "a2": 109.832350093345, - "a5": 120.30068355384, + "ss": "T", + "a3": 112.429111084218, + "bs": 78.0, + "a2": 111.448457488154, + "a5": 120.270765258298, "sidechain_LEU": null, - "chainIndex": 90, + "chainIndex": 111, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.207589383226 + "a4": 109.25463962597 } }, { - "pk": 309, + "pk": 315, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.708672845574, - "psi": 155.49925054696, - "oldID": "91", - "bg": 32.88, + "a6": 118.063986954573, + "psi": -40.2151479046883, + "oldID": "106", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.1399010128198, - "sidechain_PHE": 14, + "protein": "1MWW", + "zeta": 36.381947271883, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 310, + "next": 317, "sidechain_SER": null, - "bm": 36.0, + "bm": 23.0, "xpr": false, - "prev": 308, + "prev": 313, "terminal_flag": false, - "phi": -130.15688383246, + "phi": -48.1187483292366, "chainID": "A", "sidechain_GLN": null, - "ome": -178.587189455808, - "chi2": 84.1354096135393, + "ome": 179.758095332024, + "chi2": null, "chi3": null, - "chi1": -77.2728226071109, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.557778702229, - "L4": 1.50998014519415, - "L5": 1.24035410219398, - "L2": 1.45401300991845, - "L3": 1.53040428217869, - "a7": 122.805672082392, - "L1": 1.32021832732193, + "a1": 123.156123560088, + "L4": 1.55000790850337, + "L5": 1.2229057001822, + "L2": 1.45028912020917, + "L3": 1.54896483308648, + "a7": 121.852267254867, + "L1": 1.32013920798383, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.612181838555, - "bs": 31.0, - "a2": 110.931297857034, - "a5": 121.484125778676, + "ss": "G", + "a3": 113.998759162795, + "bs": 26.0, + "a2": 108.393036396868, + "a5": 120.011464273004, "sidechain_LEU": null, - "chainIndex": 91, + "chainIndex": 106, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.561154576982 + "a4": 108.403562668905 } }, { - "pk": 310, + "pk": 316, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 114.903689799211, - "psi": 99.7656956348898, - "oldID": "92", - "bg": 44.86, + "a6": 115.428311924574, + "psi": 120.53149250993, + "oldID": "112", + "bg": 74.24, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.9775937185558, + "zeta": 32.3630368517708, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 311, + "next": 318, "sidechain_SER": null, - "bm": 46.0, + "bm": 61.0, "xpr": false, - "prev": 309, + "prev": 314, "terminal_flag": false, - "phi": -125.143936238656, + "phi": -100.250408651103, "chainID": "A", "sidechain_GLN": null, - "ome": -176.601903339468, - "chi2": 85.1240609592257, - "chi3": null, - "chi1": -59.5313394738722, + "ome": -176.211222276532, + "chi2": -176.897499954778, + "chi3": -77.7042520074164, + "chi1": -75.4263357423387, "chi4": null, "chi5": null, - "a1": 121.347164786971, - "L4": 1.48998970130741, - "L5": 1.23162671315037, - "L2": 1.45651034884871, - "L3": 1.52386152036942, - "a7": 123.391922600862, - "L1": 1.31436358656865, + "a1": 120.365648373985, + "L4": 1.5245734256377, + "L5": 1.23075532806824, + "L2": 1.45703974726907, + "L3": 1.52886165561432, + "a7": 122.969603910602, + "L1": 1.3296507846965, "sidechain_ARG": null, - "sidechain_TYR": 13, - "sidechain_GLU": null, + "sidechain_TYR": null, + "sidechain_GLU": 34, "omep": null, "ss": "E", - "a3": 107.036394487906, - "bs": 43.0, - "a2": 110.128600239193, - "a5": 121.684326077133, + "a3": 112.703014687398, + "bs": 76.0, + "a2": 111.190266951399, + "a5": 121.60096797894, "sidechain_LEU": null, - "chainIndex": 92, + "chainIndex": 112, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.564089207604 + "a4": 111.298735638507 } }, { - "pk": 311, + "pk": 317, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 112.998768498867, - "psi": 179.819659714777, - "oldID": "93", - "bg": 0.0, + "a6": 115.716617656768, + "psi": -6.74924357689835, + "oldID": "107", + "bg": 25.3, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.3548532465191, + "protein": "1MWW", + "zeta": 33.9371762166278, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 312, + "next": 319, "sidechain_SER": null, - "bm": 55.0, + "bm": 24.0, "xpr": false, - "prev": 310, + "prev": 315, "terminal_flag": false, - "phi": -111.93981588466, + "phi": -69.8831016100815, "chainID": "A", "sidechain_GLN": null, - "ome": -175.101963353733, + "ome": -179.144001524775, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 70.1452877912125, "chi4": null, "chi5": null, - "a1": 118.378784987115, - "L4": 1.50178994529722, - "L5": 1.23927449268476, - "L2": 1.42592117728613, - "L3": 1.52393101912091, - "a7": 124.447202832531, - "L1": 1.31506487788919, + "a1": 121.149627055089, + "L4": 1.52597099362971, + "L5": 1.24105838508606, + "L2": 1.46372469497193, + "L3": 1.53205926131684, + "a7": 123.980791085317, + "L1": 1.34007171557616, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.742161927739, - "bs": 54.0, - "a2": 110.81978053061, - "a5": 122.53172801069, + "ss": "G", + "a3": 114.857837330229, + "bs": 21.0, + "a2": 111.518720264854, + "a5": 120.298812389726, "sidechain_LEU": null, - "chainIndex": 93, - "sidechain_HIS": null, + "chainIndex": 107, + "sidechain_HIS": 10, "h_bond_energy": 0.0, - "a4": 111.617830981011 + "a4": 108.080128134257 } }, { - "pk": 312, + "pk": 318, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.6236069114, - "psi": 120.902242675231, - "oldID": "94", - "bg": 85.37, + "a6": 116.173381896547, + "psi": 121.767176475198, + "oldID": "113", + "bg": 43.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 36.1582542495655, + "zeta": 34.8052049039265, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 27, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 313, + "next": 320, "sidechain_SER": null, - "bm": 76.0, + "bm": 49.0, "xpr": false, - "prev": 311, + "prev": 316, "terminal_flag": false, - "phi": -126.726782627253, + "phi": -118.082574466407, "chainID": "A", - "sidechain_GLN": 15, - "ome": -176.336561529491, - "chi2": 160.769870269655, - "chi3": 56.6825008921085, - "chi1": 155.765290573531, + "sidechain_GLN": null, + "ome": 177.374985799395, + "chi2": null, + "chi3": null, + "chi1": -173.693108189522, "chi4": null, "chi5": null, - "a1": 122.685145104242, - "L4": 1.51142022547398, - "L5": 1.23810261437055, - "L2": 1.43002912476543, - "L3": 1.52009690264008, - "a7": 123.930330710588, - "L1": 1.31654202508298, + "a1": 121.251322158722, + "L4": 1.52653987076159, + "L5": 1.23920063034223, + "L2": 1.4433154927787, + "L3": 1.53960508771506, + "a7": 122.950947096212, + "L1": 1.32207498959932, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 104.28012667634, - "bs": 88.0, - "a2": 108.715379510968, - "a5": 119.4291340782, + "a3": 108.445256954791, + "bs": 46.0, + "a2": 110.980969246, + "a5": 120.867326425991, "sidechain_LEU": null, - "chainIndex": 94, + "chainIndex": 113, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.7414103296 + "a4": 109.650177611122 } }, { - "pk": 313, + "pk": 319, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": 18, - "a6": 114.909937780999, - "psi": 136.29343656084, - "oldID": "95", - "bg": 87.35, - "sidechain_CYS": null, + "chain": "1MWWA", + "sidechain_ASP": null, + "a6": 115.681772835337, + "psi": -4.79289486530662, + "oldID": "108", + "bg": 21.57, + "sidechain_CYS": 2, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 31.39705750363, + "protein": "1MWW", + "zeta": 33.7061166531128, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 314, + "next": 321, "sidechain_SER": null, - "bm": 90.0, + "bm": 19.0, "xpr": false, - "prev": 312, + "prev": 317, "terminal_flag": false, - "phi": -80.4558436013672, + "phi": -96.008027790032, "chainID": "A", "sidechain_GLN": null, - "ome": -174.52818849185, - "chi2": 42.3877971558623, + "ome": 177.472415419015, + "chi2": null, "chi3": null, - "chi1": 77.9978995627627, + "chi1": -83.8588110717449, "chi4": null, "chi5": null, - "a1": 121.441408713159, - "L4": 1.52314946268496, - "L5": 1.23179996844908, - "L2": 1.4687827427583, - "L3": 1.540819874292, - "a7": 123.829209968683, - "L1": 1.33713834907799, + "a1": 122.900020281088, + "L4": 1.49110249225054, + "L5": 1.23160294711266, + "L2": 1.46747907496253, + "L3": 1.5246034606331, + "a7": 123.093533625426, + "L1": 1.32978477202804, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.991262332351, - "bs": 87.0, - "a2": 112.261911505127, - "a5": 121.254547377326, + "ss": "G", + "a3": 109.678716807207, + "bs": 17.0, + "a2": 110.369476263478, + "a5": 121.21740923287, "sidechain_LEU": null, - "chainIndex": 95, + "chainIndex": 108, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.019100141979 + "a4": 111.386647828033 } }, { - "pk": 314, + "pk": 320, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.246604094019, - "psi": -55.7066593027869, - "oldID": "96", - "bg": 116.42, + "a6": 115.4082404485, + "psi": 120.927390211723, + "oldID": "114", + "bg": 43.39, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 30.8767511518822, + "zeta": 34.3364357095215, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 7, - "sidechain_THR": null, + "sidechain_MET": null, + "sidechain_THR": 12, "sidechain_TRP": null, - "next": 315, + "next": 323, "sidechain_SER": null, - "bm": 111.0, + "bm": 39.0, "xpr": false, - "prev": 313, + "prev": 318, "terminal_flag": false, - "phi": -5.38714236377378, + "phi": -88.9558001774726, "chainID": "A", "sidechain_GLN": null, - "ome": -179.997946874965, - "chi2": -37.2774716071943, - "chi3": -75.8116495069865, - "chi1": -102.910510263418, + "ome": -170.49770102877, + "chi2": null, + "chi3": null, + "chi1": -53.8495206473357, "chi4": null, "chi5": null, - "a1": 123.819262659904, - "L4": 1.53387132810023, - "L5": 1.2319370355502, - "L2": 1.46815560344175, - "L3": 1.5325690601443, - "a7": 122.563751526278, - "L1": 1.32969174045534, + "a1": 120.660295492859, + "L4": 1.51027990076867, + "L5": 1.23623398061811, + "L2": 1.44686296207211, + "L3": 1.52156628256582, + "a7": 123.697513376091, + "L1": 1.32454664419746, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 119.016776272102, - "bs": 120.0, - "a2": 110.707488746445, - "a5": 120.18502739144, + "ss": "E", + "a3": 108.62170505246, + "bs": 40.0, + "a2": 110.685016392558, + "a5": 120.893640368031, "sidechain_LEU": null, - "chainIndex": 96, + "chainIndex": 114, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.849091358731 + "a4": 110.45032465345 } }, { - "pk": 315, + "pk": 321, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.183894363917, - "psi": -21.4423688291239, - "oldID": "97", - "bg": 113.7, + "a6": 114.66645504469, + "psi": 153.392025967457, + "oldID": "109", + "bg": 17.75, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.6813891587435, + "protein": "1MWW", + "zeta": 35.2013348862409, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 316, + "sidechain_TRP": 2, + "next": 322, "sidechain_SER": null, - "bm": 120.0, + "bm": 19.0, "xpr": false, - "prev": 314, + "prev": 319, "terminal_flag": false, - "phi": -73.0671239678643, + "phi": -102.756151692231, "chainID": "A", "sidechain_GLN": null, - "ome": 177.527629229386, - "chi2": -140.197680803439, - "chi3": -30.9065420641857, - "chi1": 66.4730044815998, - "chi4": null, - "chi5": null, - "a1": 120.803361989076, - "L4": 1.53700287919315, - "L5": 1.23407491635489, - "L2": 1.46289238768296, - "L3": 1.52704420675081, - "a7": 122.890988289132, - "L1": 1.32786852584797, + "ome": 177.184651604686, + "chi2": 81.6868413773072, + "chi3": null, + "chi1": -81.8815994506597, + "chi4": null, + "chi5": null, + "a1": 119.746755043404, + "L4": 1.52853882519413, + "L5": 1.22414118183196, + "L2": 1.46429733050556, + "L3": 1.54134412327824, + "a7": 124.369457522029, + "L1": 1.34256197020262, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 32, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.744806890385, - "bs": 113.0, - "a2": 110.345651273022, - "a5": 119.92416105903, + "ss": "E", + "a3": 111.636674691099, + "bs": 15.0, + "a2": 111.524984769494, + "a5": 120.881566620045, "sidechain_LEU": null, - "chainIndex": 97, + "chainIndex": 109, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.24159295717 + "a4": 107.464929137873 } }, { - "pk": 316, + "pk": 322, "model": "pgd_core.residue", "fields": { "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.886088769784, - "psi": -14.5690374188949, - "oldID": "98", + "a6": 118.446144775197, + "psi": 126.538607050915, + "oldID": "110", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", + "protein": "1MWW", "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, @@ -82067,1388 +70329,1205 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 317, + "next": 325, "sidechain_SER": null, - "bm": 109.0, + "bm": 19.0, "xpr": false, - "prev": 315, + "prev": 321, "terminal_flag": false, - "phi": 129.61424700157, + "phi": -137.095468544481, "chainID": "A", "sidechain_GLN": null, - "ome": -178.433004374719, + "ome": 176.4674679732, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.951650105783, - "L4": 1.52738049623354, - "L5": 1.23549630107073, - "L2": 1.47133002093958, + "a1": 123.787656671288, + "L4": 1.52113314092215, + "L5": 1.21621284847305, + "L2": 1.44220227086365, "L3": null, - "a7": 122.398260305424, - "L1": 1.33716297582619, + "a7": 121.181615581913, + "L1": 1.32459667998497, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 118.40777271473, + "ss": "E", + "a3": 112.407923857716, "bs": 0.0, "a2": null, - "a5": 120.715650642627, + "a5": 120.347893719229, "sidechain_LEU": null, - "chainIndex": 98, + "chainIndex": 110, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null } }, { - "pk": 317, + "pk": 323, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "v", "sidechain_PRO": null, - "sidechain_ASN": 9, + "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.731710716666, - "psi": 161.576136666386, - "oldID": "99", - "bg": 99.68, + "a6": 116.667072404248, + "psi": 137.408018533396, + "oldID": "115", + "bg": 36.69, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.9397775153861, + "zeta": 35.8591793149589, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 28, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 318, + "next": 324, "sidechain_SER": null, - "bm": 95.0, + "bm": 36.0, "xpr": false, - "prev": 316, + "prev": 320, "terminal_flag": false, - "phi": -65.1592207126246, + "phi": -120.664150619522, "chainID": "A", "sidechain_GLN": null, - "ome": 171.664057580901, - "chi2": -8.97622856529268, + "ome": 171.994264474634, + "chi2": null, "chi3": null, - "chi1": -49.0399280209238, + "chi1": 170.518196639988, "chi4": null, "chi5": null, - "a1": 121.686518150297, - "L4": 1.54594044146011, - "L5": 1.23734372226662, - "L2": 1.46121137099238, - "L3": 1.53460331095676, - "a7": 122.593552156267, - "L1": 1.32787552454721, + "a1": 121.923017120467, + "L4": 1.51537252411856, + "L5": 1.22668212796245, + "L2": 1.45164092151649, + "L3": 1.54064953540288, + "a7": 123.047282181456, + "L1": 1.32640885960485, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 114.618375733515, - "bs": 99.0, - "a2": 109.596722802041, - "a5": 120.671600889782, + "a3": 108.470937918173, + "bs": 36.0, + "a2": 110.321717444272, + "a5": 120.268683095421, "sidechain_LEU": null, - "chainIndex": 99, + "chainIndex": 115, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.053841977072 + "a4": 108.742812091014 } }, { - "pk": 318, + "pk": 324, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 18, + "aa": "d", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 116.199325897721, - "psi": 145.610550899907, - "oldID": "100", - "bg": 86.77, + "sidechain_ASP": 18, + "a6": 115.710982723716, + "psi": 112.054649817545, + "oldID": "116", + "bg": 36.35, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 39.720130395289, + "zeta": 35.1996605260403, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 319, + "next": 326, "sidechain_SER": null, - "bm": 82.0, + "bm": 33.0, "xpr": false, - "prev": 317, + "prev": 323, "terminal_flag": false, - "phi": -57.1531361519729, + "phi": -98.6678468090826, "chainID": "A", "sidechain_GLN": null, - "ome": 179.179241862377, - "chi2": 34.9631986202597, - "chi3": -28.2841542612103, - "chi1": -27.5474497327852, - "chi4": 10.7111523613122, + "ome": 177.194046554807, + "chi2": 10.1096489193972, + "chi3": null, + "chi1": -177.249115355699, + "chi4": null, "chi5": null, - "a1": 121.417299515421, - "L4": 1.51869290245272, - "L5": 1.23023746368114, - "L2": 1.45823946232095, - "L3": 1.53305145246013, - "a7": 123.100079734199, - "L1": 1.35119469216433, + "a1": 122.883021790557, + "L4": 1.53494329056526, + "L5": 1.24515145628212, + "L2": 1.46381814131675, + "L3": 1.52440940934638, + "a7": 123.587219174715, + "L1": 1.32931446608322, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -13.0260775296459, + "omep": null, "ss": "E", - "a3": 110.301026395208, - "bs": 86.0, - "a2": 103.391453855336, - "a5": 120.698752210839, + "a3": 109.810008335373, + "bs": 36.0, + "a2": 110.084405058014, + "a5": 120.685855806938, "sidechain_LEU": null, - "chainIndex": 100, + "chainIndex": 116, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.299790595199 + "a4": 109.207002337069 } }, { - "pk": 319, + "pk": 325, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.387863262911, - "psi": 66.2027406198114, - "oldID": "101", - "bg": 71.65, + "a6": 115.852718778705, + "psi": 147.445393254893, + "oldID": "111", + "bg": 24.47, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.1304655120937, - "sidechain_PHE": null, + "protein": "1MWW", + "zeta": 31.6698809604588, + "sidechain_PHE": 14, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 8, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 320, + "next": 329, "sidechain_SER": null, - "bm": 66.0, + "bm": 23.0, "xpr": false, - "prev": 318, + "prev": 322, "terminal_flag": false, - "phi": -147.910644715164, + "phi": -158.47578969576, "chainID": "A", "sidechain_GLN": null, - "ome": 177.505545949264, - "chi2": 178.635701568371, - "chi3": 83.6728363834433, - "chi1": -174.848468842591, + "ome": -178.487928341153, + "chi2": 80.4495574273215, + "chi3": null, + "chi1": 47.6058167250505, "chi4": null, "chi5": null, - "a1": 121.361310054853, - "L4": 1.51968945821629, - "L5": 1.22592973660281, - "L2": 1.44375858840062, - "L3": 1.54316023766653, - "a7": 122.611677402704, - "L1": 1.31988225830433, + "a1": 119.866240306736, + "L4": 1.55063491337951, + "L5": 1.22854443390897, + "L2": 1.46250828658276, + "L3": 1.56627577819379, + "a7": 122.817255604224, + "L1": 1.33824267557168, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 104.215445978788, - "bs": 74.0, - "a2": 109.452156140185, - "a5": 119.902787737676, + "a3": 107.764835649269, + "bs": 25.0, + "a2": 113.229840396018, + "a5": 121.282013463593, "sidechain_LEU": null, - "chainIndex": 101, + "chainIndex": 111, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.867062103705 + "a4": 112.297650689634 } }, { - "pk": 320, + "pk": 326, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 19, + "aa": "f", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.62643734381, - "psi": 147.759067017224, - "oldID": "102", - "bg": 55.73, + "a6": 118.35443271214, + "psi": -0.747468917778411, + "oldID": "117", + "bg": 42.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 38.4141883003776, - "sidechain_PHE": null, + "zeta": 34.4444366556204, + "sidechain_PHE": 15, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 321, + "next": 327, "sidechain_SER": null, - "bm": 53.0, + "bm": 34.0, "xpr": false, - "prev": 319, + "prev": 324, "terminal_flag": false, - "phi": -61.2003761592496, + "phi": -83.1216457696657, "chainID": "A", "sidechain_GLN": null, - "ome": 178.277096833218, - "chi2": 28.024456311199, - "chi3": -24.3755347253412, - "chi1": -20.3082602726189, - "chi4": 11.4662224387079, + "ome": -178.063890253209, + "chi2": -85.3962848670904, + "chi3": null, + "chi1": -73.4638014775324, + "chi4": null, "chi5": null, - "a1": 117.69176758562, - "L4": 1.51829663223798, - "L5": 1.2300038048429, - "L2": 1.45551688759561, - "L3": 1.5367683826357, - "a7": 122.314848195197, - "L1": 1.34627353213125, + "a1": 123.98464989251, + "L4": 1.51971642475112, + "L5": 1.21200298093171, + "L2": 1.47956517237541, + "L3": 1.52656687566371, + "a7": 122.220495785319, + "L1": 1.33366117481065, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -8.16619618193351, - "ss": "E", - "a3": 109.003266397293, - "bs": 55.0, - "a2": 104.095620929747, - "a5": 120.017972333627, + "omep": null, + "ss": "-", + "a3": 116.502904522736, + "bs": 43.0, + "a2": 110.3450200716, + "a5": 119.423371856973, "sidechain_LEU": null, - "chainIndex": 102, + "chainIndex": 117, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.84804996646 + "a4": 107.937318486341 } }, { - "pk": 321, + "pk": 327, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 10, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.155813697413, - "psi": 155.709734899962, - "oldID": "103", - "bg": 51.2, + "a6": 116.39969060167, + "psi": 148.124076902798, + "oldID": "118", + "bg": 30.59, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 30.619897392228, + "zeta": 33.8170632128323, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 322, + "next": 328, "sidechain_SER": null, - "bm": 43.0, + "bm": 32.0, "xpr": false, - "prev": 320, + "prev": 326, "terminal_flag": false, - "phi": -143.592008820663, + "phi": -69.0716226623725, "chainID": "A", "sidechain_GLN": null, - "ome": -179.432173046901, - "chi2": 108.124670743379, + "ome": 169.592179811161, + "chi2": -69.5341130134204, "chi3": null, - "chi1": 45.0091088790067, + "chi1": -79.5537012010069, "chi4": null, "chi5": null, - "a1": 118.512408785326, - "L4": 1.51934607085903, - "L5": 1.21977589811057, - "L2": 1.445944811454, - "L3": 1.51907953169896, - "a7": 122.64087478744, - "L1": 1.32869249065375, + "a1": 120.358680293244, + "L4": 1.52126066747987, + "L5": 1.24086560014463, + "L2": 1.45158414685761, + "L3": 1.54285260036793, + "a7": 122.920516867018, + "L1": 1.32633039447587, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.086030042248, - "bs": 51.0, - "a2": 110.483140006992, - "a5": 121.103244085705, - "sidechain_LEU": 30, - "chainIndex": 103, + "ss": "S", + "a3": 112.822428747101, + "bs": 30.0, + "a2": 110.223531188625, + "a5": 120.679003368991, + "sidechain_LEU": null, + "chainIndex": 118, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.112951896174 + "a4": 110.473593382251 } }, { - "pk": 322, + "pk": 328, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.960133483869, - "psi": 128.826705303444, - "oldID": "104", - "bg": 36.46, + "a6": 117.219419625822, + "psi": 138.767025466721, + "oldID": "119", + "bg": 36.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 36.243820660404, + "zeta": 34.5727534967338, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 12, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 323, + "next": 330, "sidechain_SER": null, - "bm": 34.0, + "bm": 31.0, "xpr": false, - "prev": 321, + "prev": 327, "terminal_flag": false, - "phi": -127.112350947551, + "phi": -59.4305054475798, "chainID": "A", "sidechain_GLN": null, - "ome": 174.423959219326, + "ome": 179.781876827967, "chi2": null, "chi3": null, - "chi1": -56.9036812146553, + "chi1": -176.772175602162, "chi4": null, "chi5": null, - "a1": 120.628723701671, - "L4": 1.50874564389413, - "L5": 1.22859189243166, - "L2": 1.43348269925117, - "L3": 1.51786035706185, - "a7": 123.521743987774, - "L1": 1.32203138975064, + "a1": 119.945560464041, + "L4": 1.55644964038807, + "L5": 1.23152462719938, + "L2": 1.44490530505615, + "L3": 1.52088722016746, + "a7": 121.818404645859, + "L1": 1.32609868887496, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.838008968342, - "bs": 35.0, - "a2": 111.069110055606, - "a5": 120.511623003433, + "ss": "-", + "a3": 110.357549303933, + "bs": 37.0, + "a2": 109.928702001924, + "a5": 120.960766661036, "sidechain_LEU": null, - "chainIndex": 104, - "sidechain_HIS": null, + "chainIndex": 119, + "sidechain_HIS": 11, "h_bond_energy": 0.0, - "a4": 107.16186996014 + "a4": 110.097448069803 } }, { - "pk": 323, + "pk": 329, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.868722019804, - "psi": 120.994498036801, - "oldID": "105", - "bg": 31.13, + "a6": 116.839003062467, + "psi": 47.0759429915116, + "oldID": "112", + "bg": 30.36, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.3524419707719, + "protein": "1MWW", + "zeta": 34.4184992254258, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 24, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 324, + "next": 331, "sidechain_SER": null, - "bm": 32.0, + "bm": 29.0, "xpr": false, - "prev": 322, + "prev": 325, "terminal_flag": false, - "phi": -78.627541410181, + "phi": 44.7365798741595, "chainID": "A", "sidechain_GLN": null, - "ome": 179.054013681859, - "chi2": null, - "chi3": null, - "chi1": 172.932399976814, - "chi4": null, - "chi5": null, - "a1": 120.690822341404, - "L4": 1.52015011240157, - "L5": 1.19321230913102, - "L2": 1.45273524462759, - "L3": 1.53599823639716, - "a7": 121.606775643938, - "L1": 1.32769890559364, - "sidechain_ARG": null, + "ome": 179.484307278582, + "chi2": -173.853892453683, + "chi3": -74.0857494992854, + "chi1": -56.5170484658826, + "chi4": 99.8909518592556, + "chi5": -0.196806293029089, + "a1": 122.225201315363, + "L4": 1.52211931925747, + "L5": 1.20862838814526, + "L2": 1.45769665681054, + "L3": 1.50567639213405, + "a7": 122.373002517894, + "L1": 1.32406932642437, + "sidechain_ARG": 15, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.402704425382, - "bs": 31.0, - "a2": 111.256209964678, - "a5": 119.502437545128, + "ss": "T", + "a3": 110.418913228064, + "bs": 40.0, + "a2": 107.968904178874, + "a5": 120.769492279748, "sidechain_LEU": null, - "chainIndex": 105, + "chainIndex": 112, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.209016989744 + "a4": 112.1779789894 } }, { - "pk": 324, + "pk": 330, "model": "pgd_core.residue", "fields": { - "aa": "v", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 20, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.726657778638, - "psi": -21.8298919079435, - "oldID": "106", - "bg": 37.32, + "a6": 118.537146383296, + "psi": -31.0371715494668, + "oldID": "120", + "bg": 35.77, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 32.4324361345244, + "zeta": 38.5394815613319, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 25, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 325, + "next": 332, "sidechain_SER": null, - "bm": 38.0, + "bm": 32.0, "xpr": false, - "prev": 323, + "prev": 328, "terminal_flag": false, - "phi": -103.671981570676, + "phi": -52.6201625778081, "chainID": "A", "sidechain_GLN": null, - "ome": -178.771530998971, - "chi2": null, - "chi3": null, - "chi1": -48.4295120588987, - "chi4": null, + "ome": 177.560565334278, + "chi2": 31.4686615914508, + "chi3": -26.5698818201063, + "chi1": -23.3309951796094, + "chi4": 11.5777754858643, "chi5": null, - "a1": 119.801516888121, - "L4": 1.53893103121737, - "L5": 1.23784056189993, - "L2": 1.44661710062886, - "L3": 1.57670035498174, - "a7": 122.684290195527, - "L1": 1.3194085341103, + "a1": 122.673633255149, + "L4": 1.52774124958035, + "L5": 1.22073306379708, + "L2": 1.47697006290369, + "L3": 1.54235795447748, + "a7": 122.93028819045, + "L1": 1.33661871721965, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.411825779126, - "bs": 38.0, - "a2": 113.247655903998, - "a5": 119.586166733854, + "omep": -0.104778209049146, + "ss": "T", + "a3": 115.025168367689, + "bs": 35.0, + "a2": 103.865953780063, + "a5": 118.517908199538, "sidechain_LEU": null, - "chainIndex": 106, + "chainIndex": 120, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.290414991086 + "a4": 109.60742550521 } }, { - "pk": 325, + "pk": 331, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.935683462449, - "psi": 149.295386669459, - "oldID": "107", + "a6": 120.136635494858, + "psi": -2.8015791526502, + "oldID": "113", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.2131669380169, + "protein": "1MWW", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 326, + "next": 334, "sidechain_SER": null, - "bm": 43.0, + "bm": 30.0, "xpr": false, - "prev": 324, + "prev": 329, "terminal_flag": false, - "phi": -157.761478189077, + "phi": 69.9944285709113, "chainID": "A", "sidechain_GLN": null, - "ome": -178.662420801259, + "ome": 178.826215402904, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.189723897159, - "L4": 1.51976157731865, - "L5": 1.22396987403131, - "L2": 1.47184126875107, - "L3": 1.57031953161449, - "a7": 122.398491805416, - "L1": 1.33554300097653, + "a1": 121.025010182448, + "L4": 1.53463095414161, + "L5": 1.21925425674918, + "L2": 1.45107331452677, + "L3": null, + "a7": 119.531008753914, + "L1": 1.3402703663728, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.518299840261, - "bs": 46.0, - "a2": 111.154794598459, - "a5": 120.665489290429, + "ss": "T", + "a3": 120.899547407029, + "bs": 0.0, + "a2": null, + "a5": 120.328550676743, "sidechain_LEU": null, - "chainIndex": 107, + "chainIndex": 113, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.630657967276 + "a4": null } }, { - "pk": 326, + "pk": 332, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.664490571635, - "psi": 122.337374711353, - "oldID": "108", - "bg": 48.07, + "a6": 117.177515483972, + "psi": 6.12513288888271, + "oldID": "121", + "bg": 35.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.7507823827887, + "zeta": 33.3346152270753, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 26, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 327, + "next": 333, "sidechain_SER": null, - "bm": 51.0, + "bm": 32.0, "xpr": false, - "prev": 325, + "prev": 330, "terminal_flag": false, - "phi": -137.880303688703, + "phi": -91.1247788283924, "chainID": "A", "sidechain_GLN": null, - "ome": -178.979561615904, - "chi2": null, + "ome": 177.202800948764, + "chi2": -173.912384742033, "chi3": null, - "chi1": -177.902804605355, + "chi1": -64.2298980986413, "chi4": null, "chi5": null, - "a1": 119.726086634159, - "L4": 1.5047432094567, - "L5": 1.21639891231252, - "L2": 1.44426646458207, - "L3": 1.52609119583292, - "a7": 123.831659237636, - "L1": 1.32248320152002, + "a1": 121.987866842755, + "L4": 1.53818012954164, + "L5": 1.23234027310768, + "L2": 1.47939772396538, + "L3": 1.54337227643673, + "a7": 122.353493979806, + "L1": 1.33167774250921, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.217731499485, - "bs": 46.0, - "a2": 112.313534151495, - "a5": 119.501053742933, - "sidechain_LEU": null, - "chainIndex": 108, + "ss": "T", + "a3": 113.40762066225, + "bs": 35.0, + "a2": 111.34046196686, + "a5": 120.449226283361, + "sidechain_LEU": 31, + "chainIndex": 121, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.384087147127 + "a4": 109.544854149734 } }, { - "pk": 327, + "pk": 333, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 116.435386137944, - "psi": 91.8338568278204, - "oldID": "109", - "bg": 75.36, + "a6": 115.754125646009, + "psi": 127.091051902011, + "oldID": "122", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 35.3689238512879, + "zeta": 34.0918213535343, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 328, + "next": 335, "sidechain_SER": null, - "bm": 65.0, + "bm": 29.0, "xpr": false, - "prev": 326, + "prev": 332, "terminal_flag": false, - "phi": -135.942057160566, + "phi": -55.4381553543881, "chainID": "A", "sidechain_GLN": null, - "ome": -177.911965553286, - "chi2": -43.5617399214348, - "chi3": -35.4293177839291, - "chi1": -79.5318662171031, + "ome": 178.727717407117, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.840676112074, - "L4": 1.51890563426927, - "L5": 1.23709143183689, - "L2": 1.46841158733645, - "L3": 1.52715319985134, - "a7": 123.211518531616, - "L1": 1.33191240847644, + "a1": 121.744620000337, + "L4": 1.5216594832645, + "L5": 1.23847524473799, + "L2": 1.45914943434008, + "L3": 1.52759467154952, + "a7": 123.571817622837, + "L1": 1.32644905864842, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 33, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.203056506183, - "bs": 76.0, - "a2": 110.536142608564, - "a5": 120.349890383924, + "ss": "T", + "a3": 108.107535128933, + "bs": 28.0, + "a2": 111.177238533779, + "a5": 120.641977013417, "sidechain_LEU": null, - "chainIndex": 109, + "chainIndex": 122, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.940468576578 + "a4": 110.390359421579 } }, { - "pk": 328, + "pk": 334, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.38491175739, - "psi": -122.886884501141, - "oldID": "110", - "bg": 0.0, + "a6": 114.481883094911, + "psi": 171.834192745988, + "oldID": "114", + "bg": 39.87, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": null, + "protein": "1MWW", + "zeta": 35.9813442803857, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 8, "sidechain_THR": null, "sidechain_TRP": null, - "next": 329, + "next": 337, "sidechain_SER": null, - "bm": 66.0, + "bm": 33.0, "xpr": false, - "prev": 327, + "prev": 331, "terminal_flag": false, - "phi": 66.3925215049223, + "phi": -114.516745091579, "chainID": "A", "sidechain_GLN": null, - "ome": 178.129754886555, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 173.930422514889, + "chi2": 154.54533891928, + "chi3": -89.9649196379173, + "chi1": -42.1177643699597, "chi4": null, "chi5": null, - "a1": 120.357330869002, - "L4": 1.51168430035875, - "L5": 1.22870966530832, - "L2": 1.45276468774298, - "L3": null, - "a7": 122.74084260794, - "L1": 1.32821554288425, + "a1": 118.178205457932, + "L4": 1.51311058284778, + "L5": 1.24161061906956, + "L2": 1.45944099083924, + "L3": 1.53182998002911, + "a7": 124.146917767159, + "L1": 1.31915638103589, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 107.355437410817, - "bs": 0.0, - "a2": null, - "a5": 119.852342175973, + "ss": "E", + "a3": 110.554501440874, + "bs": 40.0, + "a2": 112.190606668555, + "a5": 121.360301514412, "sidechain_LEU": null, - "chainIndex": 110, + "chainIndex": 114, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 105.942799616032 } }, { - "pk": 329, + "pk": 335, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.219090176763, - "psi": 0.414368855398492, - "oldID": "111", - "bg": 80.01, + "a6": 118.660445528743, + "psi": 8.69289568768645, + "oldID": "123", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.739802088469, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 330, + "next": 336, "sidechain_SER": null, - "bm": 68.0, + "bm": 29.0, "xpr": false, - "prev": 328, + "prev": 333, "terminal_flag": false, - "phi": -87.1753359193324, + "phi": 77.4482440353731, "chainID": "A", "sidechain_GLN": null, - "ome": -177.371174945662, - "chi2": -52.125584061845, - "chi3": -64.141167983032, - "chi1": -52.1009300728993, + "ome": 178.956684639587, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.950223265788, - "L4": 1.52896906106027, - "L5": 1.23182447377687, - "L2": 1.45971508925582, - "L3": 1.53107390300119, - "a7": 122.509558243349, - "L1": 1.32974833010992, + "a1": 121.998407180067, + "L4": 1.52316869201307, + "L5": 1.21947388915237, + "L2": 1.47281617340832, + "L3": null, + "a7": 121.687907664704, + "L1": 1.33230803041126, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 34, + "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 112.429111084218, - "bs": 78.0, - "a2": 111.448457488154, - "a5": 120.270765258298, + "a3": 114.725519050816, + "bs": 0.0, + "a2": null, + "a5": 119.651556170691, "sidechain_LEU": null, - "chainIndex": 111, + "chainIndex": 123, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.25463962597 + "a4": null } }, { - "pk": 330, + "pk": 336, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 115.428311924574, - "psi": 120.53149250993, - "oldID": "112", - "bg": 74.24, + "a6": 116.744461732668, + "psi": 146.256607470523, + "oldID": "124", + "bg": 30.24, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 32.3630368517708, + "zeta": 35.6893395981452, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 21, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 331, + "next": 340, "sidechain_SER": null, - "bm": 61.0, + "bm": 32.0, "xpr": false, - "prev": 329, + "prev": 335, "terminal_flag": false, - "phi": -100.250408651103, + "phi": -100.212766210826, "chainID": "A", "sidechain_GLN": null, - "ome": -176.211222276532, - "chi2": -176.897499954778, - "chi3": -77.7042520074164, - "chi1": -75.4263357423387, - "chi4": null, + "ome": 173.498146021506, + "chi2": -72.148246341969, + "chi3": 106.871576903246, + "chi1": -60.454602825802, + "chi4": 162.54421934827, "chi5": null, - "a1": 120.365648373985, - "L4": 1.5245734256377, - "L5": 1.23075532806824, - "L2": 1.45703974726907, - "L3": 1.52886165561432, - "a7": 122.969603910602, - "L1": 1.3296507846965, + "a1": 120.128933865819, + "L4": 1.5072901877919, + "L5": 1.23023361971584, + "L2": 1.46342595533905, + "L3": 1.54144072260803, + "a7": 123.18147102854, + "L1": 1.32505238332031, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 35, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.703014687398, - "bs": 76.0, - "a2": 111.190266951399, - "a5": 121.60096797894, + "ss": "-", + "a3": 109.402864786046, + "bs": 31.0, + "a2": 111.629887526222, + "a5": 120.073647677503, "sidechain_LEU": null, - "chainIndex": 112, + "chainIndex": 124, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.298735638507 + "a4": 107.400778042369 } }, { - "pk": 331, + "pk": 337, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.173381896547, - "psi": 121.767176475198, - "oldID": "113", - "bg": 43.27, + "a6": 116.104331758513, + "psi": 150.107743600717, + "oldID": "115", + "bg": 34.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.8052049039265, + "protein": "1MWW", + "zeta": 33.1782917286551, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 27, + "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 13, "sidechain_TRP": null, - "next": 332, + "next": 338, "sidechain_SER": null, - "bm": 49.0, + "bm": 28.0, "xpr": false, - "prev": 330, + "prev": 334, "terminal_flag": false, - "phi": -118.082574466407, + "phi": -93.5016897668916, "chainID": "A", "sidechain_GLN": null, - "ome": 177.374985799395, + "ome": -178.322372750848, "chi2": null, "chi3": null, - "chi1": -173.693108189522, + "chi1": 46.1364298526169, "chi4": null, "chi5": null, - "a1": 121.251322158722, - "L4": 1.52653987076159, - "L5": 1.23920063034223, - "L2": 1.4433154927787, - "L3": 1.53960508771506, - "a7": 122.950947096212, - "L1": 1.32207498959932, + "a1": 120.177435096695, + "L4": 1.52357036034468, + "L5": 1.25002833119996, + "L2": 1.42152380521922, + "L3": 1.55819102911238, + "a7": 123.073849702781, + "L1": 1.3246568167039, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.445256954791, - "bs": 46.0, - "a2": 110.980969246, - "a5": 120.867326425991, + "a3": 101.501949221835, + "bs": 31.0, + "a2": 112.435314690872, + "a5": 120.784138025441, "sidechain_LEU": null, - "chainIndex": 113, + "chainIndex": 115, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.650177611122 + "a4": 113.163423638623 } }, { - "pk": 332, + "pk": 338, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 115.4082404485, - "psi": 120.927390211723, - "oldID": "114", - "bg": 43.39, + "a6": 117.538804212602, + "psi": -35.0958539906181, + "oldID": "116", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.3364357095215, + "protein": "1MWW", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 13, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 333, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 331, - "terminal_flag": false, - "phi": -88.9558001774726, - "chainID": "A", - "sidechain_GLN": null, - "ome": -170.49770102877, - "chi2": null, - "chi3": null, - "chi1": -53.8495206473357, - "chi4": null, - "chi5": null, - "a1": 120.660295492859, - "L4": 1.51027990076867, - "L5": 1.23623398061811, - "L2": 1.44686296207211, - "L3": 1.52156628256582, - "a7": 123.697513376091, - "L1": 1.32454664419746, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.62170505246, - "bs": 40.0, - "a2": 110.685016392558, - "a5": 120.893640368031, - "sidechain_LEU": null, - "chainIndex": 114, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.45032465345 - } -}, -{ - "pk": 333, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 116.667072404248, - "psi": 137.408018533396, - "oldID": "115", - "bg": 36.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.8591793149589, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 28, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 334, + "next": 339, "sidechain_SER": null, - "bm": 36.0, + "bm": 33.0, "xpr": false, - "prev": 332, + "prev": 337, "terminal_flag": false, - "phi": -120.664150619522, + "phi": -52.1815317621749, "chainID": "A", "sidechain_GLN": null, - "ome": 171.994264474634, + "ome": 179.138518015117, "chi2": null, "chi3": null, - "chi1": 170.518196639988, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.923017120467, - "L4": 1.51537252411856, - "L5": 1.22668212796245, - "L2": 1.45164092151649, - "L3": 1.54064953540288, - "a7": 123.047282181456, - "L1": 1.32640885960485, + "a1": 121.421948140649, + "L4": 1.52694706005853, + "L5": 1.22539099597812, + "L2": 1.46060950491869, + "L3": null, + "a7": 122.206614465124, + "L1": 1.33008956281876, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.470937918173, - "bs": 36.0, - "a2": 110.321717444272, - "a5": 120.268683095421, + "ss": "T", + "a3": 116.895518363327, + "bs": 0.0, + "a2": null, + "a5": 120.249631297726, "sidechain_LEU": null, - "chainIndex": 115, + "chainIndex": 116, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.742812091014 + "a4": null } }, { - "pk": 334, + "pk": 339, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": 19, - "a6": 115.710982723716, - "psi": 112.054649817545, - "oldID": "116", - "bg": 36.35, + "a6": 116.154697993104, + "psi": -24.1424115451334, + "oldID": "117", + "bg": 35.73, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.1996605260403, + "protein": "1MWW", + "zeta": 34.6849935270349, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 335, + "next": 341, "sidechain_SER": null, - "bm": 33.0, + "bm": 29.0, "xpr": false, - "prev": 333, + "prev": 338, "terminal_flag": false, - "phi": -98.6678468090826, + "phi": -69.6400375092549, "chainID": "A", "sidechain_GLN": null, - "ome": 177.194046554807, - "chi2": 10.1096489193972, + "ome": 179.7287981849, + "chi2": -43.4212578810139, "chi3": null, - "chi1": -177.249115355699, + "chi1": 58.6953382765956, "chi4": null, "chi5": null, - "a1": 122.883021790557, - "L4": 1.53494329056526, - "L5": 1.24515145628212, - "L2": 1.46381814131675, - "L3": 1.52440940934638, - "a7": 123.587219174715, - "L1": 1.32931446608322, + "a1": 120.271412594532, + "L4": 1.53609935574635, + "L5": 1.23258182496831, + "L2": 1.46006850336052, + "L3": 1.50755032318424, + "a7": 122.681816219413, + "L1": 1.32230129390526, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.810008335373, - "bs": 36.0, - "a2": 110.084405058014, - "a5": 120.685855806938, + "ss": "T", + "a3": 112.768153434623, + "bs": 34.0, + "a2": 110.136903764105, + "a5": 121.159223123503, "sidechain_LEU": null, - "chainIndex": 116, + "chainIndex": 117, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.207002337069 + "a4": 108.860778667709 } }, { - "pk": 335, + "pk": 340, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 118.35443271214, - "psi": -0.747468917778411, - "oldID": "117", - "bg": 42.12, + "sidechain_ASP": 20, + "a6": 118.077361086413, + "psi": 141.895133263107, + "oldID": "125", + "bg": 41.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.4444366556204, - "sidechain_PHE": 15, + "zeta": 34.7826046821481, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 336, + "next": 342, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 334, + "prev": 336, "terminal_flag": false, - "phi": -83.1216457696657, + "phi": -94.6695780669307, "chainID": "A", "sidechain_GLN": null, - "ome": -178.063890253209, - "chi2": -85.3962848670904, + "ome": -172.508126167729, + "chi2": -24.7527956631896, "chi3": null, - "chi1": -73.4638014775324, + "chi1": -67.7644959872838, "chi4": null, "chi5": null, - "a1": 123.98464989251, - "L4": 1.51971642475112, - "L5": 1.21200298093171, - "L2": 1.47956517237541, - "L3": 1.52656687566371, - "a7": 122.220495785319, - "L1": 1.33366117481065, + "a1": 122.072559049152, + "L4": 1.50794274599433, + "L5": 1.22173668005245, + "L2": 1.46367522919555, + "L3": 1.53038154027481, + "a7": 122.782457676246, + "L1": 1.32467854140719, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 116.502904522736, - "bs": 43.0, - "a2": 110.3450200716, - "a5": 119.423371856973, - "sidechain_LEU": null, - "chainIndex": 117, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.937318486341 - } -}, -{ - "pk": 336, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 10, - "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 116.39969060167, - "psi": 148.124076902798, - "oldID": "118", - "bg": 30.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 33.8170632128323, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 337, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 335, - "terminal_flag": false, - "phi": -69.0716226623725, - "chainID": "A", - "sidechain_GLN": null, - "ome": 169.592179811161, - "chi2": -69.5341130134204, - "chi3": null, - "chi1": -79.5537012010069, - "chi4": null, - "chi5": null, - "a1": 120.358680293244, - "L4": 1.52126066747987, - "L5": 1.24086560014463, - "L2": 1.45158414685761, - "L3": 1.54285260036793, - "a7": 122.920516867018, - "L1": 1.32633039447587, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.822428747101, - "bs": 30.0, - "a2": 110.223531188625, - "a5": 120.679003368991, + "a3": 105.512160492727, + "bs": 41.0, + "a2": 110.931746919733, + "a5": 119.122516873935, "sidechain_LEU": null, - "chainIndex": 118, + "chainIndex": 125, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.473593382251 + "a4": 110.364373341789 } }, { - "pk": 337, + "pk": 341, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 117.219419625822, - "psi": 138.767025466721, - "oldID": "119", - "bg": 36.85, + "a6": 118.082126270866, + "psi": -23.3030690174736, + "oldID": "118", + "bg": 34.51, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.5727534967338, + "protein": "1MWW", + "zeta": 36.7479762641447, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 338, + "next": 343, "sidechain_SER": null, - "bm": 31.0, + "bm": 35.0, "xpr": false, - "prev": 336, + "prev": 339, "terminal_flag": false, - "phi": -59.4305054475798, + "phi": -83.8635820792607, "chainID": "A", "sidechain_GLN": null, - "ome": 179.781876827967, - "chi2": null, - "chi3": null, - "chi1": -176.772175602162, + "ome": -175.484455355283, + "chi2": -176.799935156988, + "chi3": -34.6872340159695, + "chi1": -60.8485430032017, "chi4": null, "chi5": null, - "a1": 119.945560464041, - "L4": 1.55644964038807, - "L5": 1.23152462719938, - "L2": 1.44490530505615, - "L3": 1.52088722016746, - "a7": 121.818404645859, - "L1": 1.32609868887496, + "a1": 121.89527469957, + "L4": 1.4722253251737, + "L5": 1.20214357197202, + "L2": 1.44456541171801, + "L3": 1.51392375789387, + "a7": 122.50466650038, + "L1": 1.32032007061684, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 35, "omep": null, - "ss": "-", - "a3": 110.357549303933, - "bs": 37.0, - "a2": 109.928702001924, - "a5": 120.960766661036, - "sidechain_LEU": null, - "chainIndex": 119, - "sidechain_HIS": 11, - "h_bond_energy": 0.0, - "a4": 110.097448069803 - } -}, -{ - "pk": 338, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 20, - "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 118.537146383296, - "psi": -31.0371715494668, - "oldID": "120", - "bg": 35.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 38.5394815613319, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 339, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 337, - "terminal_flag": false, - "phi": -52.6201625778081, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.560565334278, - "chi2": 31.4686615914508, - "chi3": -26.5698818201063, - "chi1": -23.3309951796094, - "chi4": 11.5777754858643, - "chi5": null, - "a1": 122.673633255149, - "L4": 1.52774124958035, - "L5": 1.22073306379708, - "L2": 1.47697006290369, - "L3": 1.54235795447748, - "a7": 122.93028819045, - "L1": 1.33661871721965, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -0.104778209049146, "ss": "T", - "a3": 115.025168367689, - "bs": 35.0, - "a2": 103.865953780063, - "a5": 118.517908199538, + "a3": 111.283490848153, + "bs": 36.0, + "a2": 112.191602160799, + "a5": 119.405644052107, "sidechain_LEU": null, - "chainIndex": 120, + "chainIndex": 118, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.60742550521 + "a4": 104.772776873272 } }, { - "pk": 339, + "pk": 342, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -83456,422 +71535,239 @@ "sidechain_ASN": null, "chain": "3CGMA", "sidechain_ASP": null, - "a6": 117.177515483972, - "psi": 6.12513288888271, - "oldID": "121", - "bg": 35.52, + "a6": 116.309638697326, + "psi": 135.816023707542, + "oldID": "126", + "bg": 36.5, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 33.3346152270753, + "zeta": 34.2267864916864, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 340, + "next": 344, "sidechain_SER": null, - "bm": 32.0, + "bm": 36.0, "xpr": false, - "prev": 338, + "prev": 340, "terminal_flag": false, - "phi": -91.1247788283924, + "phi": -116.458771970013, "chainID": "A", "sidechain_GLN": null, - "ome": 177.202800948764, - "chi2": -173.912384742033, + "ome": 177.958410879667, + "chi2": -164.824217092993, "chi3": null, - "chi1": -64.2298980986413, + "chi1": -48.6546831503259, "chi4": null, "chi5": null, - "a1": 121.987866842755, - "L4": 1.53818012954164, - "L5": 1.23234027310768, - "L2": 1.47939772396538, - "L3": 1.54337227643673, - "a7": 122.353493979806, - "L1": 1.33167774250921, + "a1": 120.391825563485, + "L4": 1.5253392112018, + "L5": 1.23925227589602, + "L2": 1.45913718587985, + "L3": 1.52920747178539, + "a7": 123.434355670472, + "L1": 1.3303702558955, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.40762066225, - "bs": 35.0, - "a2": 111.34046196686, - "a5": 120.449226283361, - "sidechain_LEU": 31, - "chainIndex": 121, + "ss": "E", + "a3": 110.697201909915, + "bs": 36.0, + "a2": 111.025383290245, + "a5": 120.247314223391, + "sidechain_LEU": 32, + "chainIndex": 126, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.544854149734 + "a4": 109.564665916299 } }, { - "pk": 340, + "pk": 343, "model": "pgd_core.residue", "fields": { "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 115.754125646009, - "psi": 127.091051902011, - "oldID": "122", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.0918213535343, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 341, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 339, - "terminal_flag": false, - "phi": -55.4381553543881, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.727717407117, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.744620000337, - "L4": 1.5216594832645, - "L5": 1.23847524473799, - "L2": 1.45914943434008, - "L3": 1.52759467154952, - "a7": 123.571817622837, - "L1": 1.32644905864842, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.107535128933, - "bs": 28.0, - "a2": 111.177238533779, - "a5": 120.641977013417, - "sidechain_LEU": null, - "chainIndex": 122, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.390359421579 - } -}, -{ - "pk": 341, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 118.660445528743, - "psi": 8.69289568768645, - "oldID": "123", + "a6": 111.74140637024, + "psi": 121.500076795457, + "oldID": "119", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": null, + "protein": "1MWW", + "zeta": 30.947984135866, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 342, + "next": 345, "sidechain_SER": null, - "bm": 29.0, + "bm": 42.0, "xpr": false, - "prev": 340, + "prev": 341, "terminal_flag": false, - "phi": 77.4482440353731, + "phi": -59.7823686782185, "chainID": "A", "sidechain_GLN": null, - "ome": 178.956684639587, + "ome": -178.730141213141, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.998407180067, - "L4": 1.52316869201307, - "L5": 1.21947388915237, - "L2": 1.47281617340832, - "L3": null, - "a7": 121.687907664704, - "L1": 1.33230803041126, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.725519050816, - "bs": 0.0, - "a2": null, - "a5": 119.651556170691, - "sidechain_LEU": null, - "chainIndex": 123, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 342, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": null, - "a6": 116.744461732668, - "psi": 146.256607470523, - "oldID": "124", - "bg": 30.24, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.6893395981452, - "sidechain_PHE": null, - "sidechain_LYS": 21, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 343, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 341, - "terminal_flag": false, - "phi": -100.212766210826, - "chainID": "A", - "sidechain_GLN": null, - "ome": 173.498146021506, - "chi2": -72.148246341969, - "chi3": 106.871576903246, - "chi1": -60.454602825802, - "chi4": 162.54421934827, - "chi5": null, - "a1": 120.128933865819, - "L4": 1.5072901877919, - "L5": 1.23023361971584, - "L2": 1.46342595533905, - "L3": 1.54144072260803, - "a7": 123.18147102854, - "L1": 1.32505238332031, + "a1": 117.530992517976, + "L4": 1.5538315446311, + "L5": 1.24040406407049, + "L2": 1.44507309455296, + "L3": 1.5051992410685, + "a7": 125.088712345554, + "L1": 1.31948622490464, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.402864786046, - "bs": 31.0, - "a2": 111.629887526222, - "a5": 120.073647677503, + "a3": 116.853469937144, + "bs": 32.0, + "a2": 110.186553009788, + "a5": 123.167343116839, "sidechain_LEU": null, - "chainIndex": 124, + "chainIndex": 119, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.400778042369 + "a4": 112.090269447367 } }, { - "pk": 343, + "pk": 344, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "3CGMA", - "sidechain_ASP": 20, - "a6": 118.077361086413, - "psi": 141.895133263107, - "oldID": "125", - "bg": 41.7, + "sidechain_ASP": 21, + "a6": 115.303961651936, + "psi": 118.175822671366, + "oldID": "127", + "bg": 41.86, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "3CGM", - "zeta": 34.7826046821481, + "zeta": 35.1292813523543, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 344, + "next": 346, "sidechain_SER": null, - "bm": 34.0, + "bm": 35.0, "xpr": false, "prev": 342, "terminal_flag": false, - "phi": -94.6695780669307, + "phi": -113.504058623338, "chainID": "A", "sidechain_GLN": null, - "ome": -172.508126167729, - "chi2": -24.7527956631896, + "ome": -179.544478984838, + "chi2": -54.0837052813451, "chi3": null, - "chi1": -67.7644959872838, + "chi1": -67.268592303053, "chi4": null, "chi5": null, - "a1": 122.072559049152, - "L4": 1.50794274599433, - "L5": 1.22173668005245, - "L2": 1.46367522919555, - "L3": 1.53038154027481, - "a7": 122.782457676246, - "L1": 1.32467854140719, + "a1": 122.779799208461, + "L4": 1.51918683924152, + "L5": 1.23586371263635, + "L2": 1.46801677054102, + "L3": 1.51654846923976, + "a7": 124.115993622897, + "L1": 1.33114192435324, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 105.512160492727, + "ss": "E", + "a3": 111.862308497215, "bs": 41.0, - "a2": 110.931746919733, - "a5": 119.122516873935, + "a2": 110.483663889421, + "a5": 120.569593633662, "sidechain_LEU": null, - "chainIndex": 125, + "chainIndex": 127, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.364373341789 + "a4": 108.304250741278 } }, { - "pk": 344, + "pk": 345, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "3CGMA", + "chain": "1MWWA", "sidechain_ASP": null, - "a6": 116.309638697326, - "psi": 135.816023707542, - "oldID": "126", - "bg": 36.5, + "a6": null, + "psi": null, + "oldID": "120", + "bg": 51.76, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 34.2267864916864, + "protein": "1MWW", + "zeta": 32.9203279185939, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 345, + "next": null, "sidechain_SER": null, - "bm": 36.0, + "bm": 49.0, "xpr": false, "prev": 343, - "terminal_flag": false, - "phi": -116.458771970013, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.958410879667, - "chi2": -164.824217092993, - "chi3": null, - "chi1": -48.6546831503259, - "chi4": null, - "chi5": null, - "a1": 120.391825563485, - "L4": 1.5253392112018, - "L5": 1.23925227589602, - "L2": 1.45913718587985, - "L3": 1.52920747178539, - "a7": 123.434355670472, - "L1": 1.3303702558955, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.697201909915, - "bs": 36.0, - "a2": 111.025383290245, - "a5": 120.247314223391, - "sidechain_LEU": 32, - "chainIndex": 126, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.564665916299 - } -}, -{ - "pk": 345, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "3CGMA", - "sidechain_ASP": 21, - "a6": 115.303961651936, - "psi": 118.175822671366, - "oldID": "127", - "bg": 41.86, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "3CGM", - "zeta": 35.1292813523543, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 346, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 344, - "terminal_flag": false, - "phi": -113.504058623338, + "terminal_flag": true, + "phi": 47.1938654556232, "chainID": "A", "sidechain_GLN": null, - "ome": -179.544478984838, - "chi2": -54.0837052813451, - "chi3": null, - "chi1": -67.268592303053, - "chi4": null, - "chi5": null, - "a1": 122.779799208461, - "L4": 1.51918683924152, - "L5": 1.23586371263635, - "L2": 1.46801677054102, - "L3": 1.51654846923976, - "a7": 124.115993622897, - "L1": 1.33114192435324, - "sidechain_ARG": null, + "ome": null, + "chi2": 168.351970164844, + "chi3": -52.6815605517586, + "chi1": -57.217713607045, + "chi4": -157.331416188022, + "chi5": -0.238267001695937, + "a1": 128.268673972268, + "L4": 1.52284682568492, + "L5": 1.28569106344622, + "L2": 1.46948140958101, + "L3": 1.54334048817291, + "a7": null, + "L1": 1.33786098075425, + "sidechain_ARG": 16, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.862308497215, - "bs": 41.0, - "a2": 110.483663889421, - "a5": 120.569593633662, + "ss": "-", + "a3": 113.36579821209, + "bs": 55.0, + "a2": 109.972679696234, + "a5": 120.713177586472, "sidechain_LEU": null, - "chainIndex": 127, + "chainIndex": 120, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.304250741278 + "a4": 111.618782541482 } }, { @@ -83901,7 +71797,7 @@ "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 345, + "prev": 344, "terminal_flag": false, "phi": -110.419453330665, "chainID": "A", @@ -94431,19 +82327,19 @@ "pk": 519, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.297406960459, - "psi": -104.466399669616, + "a6": 114.917500521975, + "psi": 154.143503436727, "oldID": "1", - "bg": 0.0, + "bg": 23.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.6760067381564, + "zeta": 33.454919912151, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -94451,183 +82347,183 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 520, - "sidechain_SER": null, - "bm": 49.0, + "sidechain_SER": 19, + "bm": 19.0, "xpr": false, "prev": null, "terminal_flag": false, "phi": null, - "chainID": "A", + "chainID": "B", "sidechain_GLN": null, - "ome": 176.988938458941, + "ome": -171.898549852214, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 60.9038008901776, "chi4": null, "chi5": null, "a1": null, - "L4": 1.53401130003671, - "L5": 1.23452574289762, - "L2": 1.49101447936475, - "L3": 1.53688425667606, - "a7": 122.638828066405, + "L4": 1.52665747673477, + "L5": 1.2472808971209, + "L2": 1.4851625490462, + "L3": 1.51469584777344, + "a7": 123.991853715095, "L1": null, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.758918968836, - "bs": 49.0, - "a2": 110.312508413657, - "a5": 121.057542565798, + "a3": 109.186300043558, + "bs": 22.0, + "a2": 110.961059077887, + "a5": 121.073126124429, "sidechain_LEU": null, "chainIndex": 1, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.892788140484 + "a4": 110.869237271077 } }, { "pk": 520, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.476082970433, - "psi": -53.461036400061, + "a6": 114.321911539643, + "psi": 165.65145648307, "oldID": "2", - "bg": 47.43, + "bg": 20.61, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.0645299969822, + "zeta": 34.135646313084, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 27, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 19, + "sidechain_THR": null, "sidechain_TRP": null, "next": 521, "sidechain_SER": null, - "bm": 47.0, + "bm": 17.0, "xpr": false, "prev": 519, "terminal_flag": false, - "phi": -104.365584659681, - "chainID": "A", + "phi": -101.938957467387, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.495446191153, - "chi2": null, - "chi3": null, - "chi1": 155.192946366529, - "chi4": null, + "ome": 178.192942975541, + "chi2": -66.4252725129784, + "chi3": -165.252819730187, + "chi1": -53.0753307167148, + "chi4": -170.906181582625, "chi5": null, - "a1": 121.550261627307, - "L4": 1.53517662187313, - "L5": 1.24449150923076, - "L2": 1.45431709009883, - "L3": 1.54841321091694, - "a7": 123.824884840552, - "L1": 1.3282434185493, + "a1": 122.936975292303, + "L4": 1.51463203186797, + "L5": 1.22223280722881, + "L2": 1.4446622918356, + "L3": 1.53985713277252, + "a7": 123.880943128541, + "L1": 1.32857765662903, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.036799813315, - "bs": 47.0, - "a2": 109.71994797265, - "a5": 121.647927767655, + "ss": "E", + "a3": 115.861873434392, + "bs": 22.0, + "a2": 109.894960047511, + "a5": 121.782187375898, "sidechain_LEU": null, "chainIndex": 2, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.4276941147 + "a4": 109.353711446559 } }, { "pk": 521, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.794647063964, - "psi": 126.008805240531, + "a6": 114.817976679131, + "psi": 175.929604747551, "oldID": "3", - "bg": 43.27, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9128274195779, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 12, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 522, "sidechain_SER": null, - "bm": 41.0, + "bm": 17.0, "xpr": false, "prev": 520, "terminal_flag": false, - "phi": -31.2145477529404, - "chainID": "A", + "phi": -156.286015868156, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.694599449542, - "chi2": 146.775804049592, - "chi3": -82.8906632582496, - "chi1": -106.505977100787, + "ome": 179.118176306068, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 124.571988180173, - "L4": 1.51809342122295, - "L5": 1.22661181994336, - "L2": 1.45809955857053, - "L3": 1.5247769009032, - "a7": 123.406433330235, - "L1": 1.33070583748309, + "a1": 122.15270203665, + "L4": 1.51160931756303, + "L5": 1.23297052026148, + "L2": 1.4403957642194, + "L3": null, + "a7": 124.196774764868, + "L1": 1.32937260166962, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 118.398709667466, - "bs": 43.0, - "a2": 109.552062243702, - "a5": 121.787566640838, + "ss": "E", + "a3": 110.951768759097, + "bs": 0.0, + "a2": null, + "a5": 120.98063625345, "sidechain_LEU": null, "chainIndex": 3, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.594481558999 + "a4": null } }, { "pk": 522, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.447224460002, - "psi": 149.008765494685, + "a6": 115.895080416789, + "psi": 148.341007358329, "oldID": "4", - "bg": 0.0, + "bg": 15.67, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9701157212737, - "sidechain_PHE": null, + "zeta": 38.2901789583378, + "sidechain_PHE": 22, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -94635,60 +82531,60 @@ "sidechain_TRP": null, "next": 523, "sidechain_SER": null, - "bm": 37.0, + "bm": 15.0, "xpr": false, "prev": 521, "terminal_flag": false, - "phi": -92.1526884281316, - "chainID": "A", + "phi": -135.929656480251, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.147580074963, - "chi2": null, + "ome": 167.056439347014, + "chi2": 72.4382590831007, "chi3": null, - "chi1": null, + "chi1": -68.1208061733599, "chi4": null, "chi5": null, - "a1": 121.691711578343, - "L4": 1.51297495877904, - "L5": 1.2489828497372, - "L2": 1.45067071339817, - "L3": 1.52310369900273, - "a7": 123.568299595327, - "L1": 1.32398077980425, + "a1": 123.917172329176, + "L4": 1.50979538597617, + "L5": 1.24556025776738, + "L2": 1.44692681553145, + "L3": 1.54724875478039, + "a7": 122.641974606625, + "L1": 1.32411860013762, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.889549260307, - "bs": 38.0, - "a2": 110.105850344451, - "a5": 120.953774325881, + "ss": "E", + "a3": 106.262730015094, + "bs": 15.0, + "a2": 111.273280049931, + "a5": 121.452178274625, "sidechain_LEU": null, "chainIndex": 4, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.256992592749 + "a4": 104.506079960573 } }, { "pk": 523, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.072505438812, - "psi": 140.305813613566, + "a6": 116.978305247372, + "psi": 119.381669950111, "oldID": "5", - "bg": 25.36, + "bg": 14.77, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.233854783916, - "sidechain_PHE": null, + "zeta": 33.4751836486147, + "sidechain_PHE": 23, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -94696,303 +82592,303 @@ "sidechain_TRP": null, "next": 524, "sidechain_SER": null, - "bm": 30.0, + "bm": 15.0, "xpr": false, "prev": 522, "terminal_flag": false, - "phi": -83.5934574451776, - "chainID": "A", + "phi": -122.112803299762, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.000402538773, - "chi2": 173.74664688427, + "ome": 177.768627560815, + "chi2": 47.6131679664961, "chi3": null, - "chi1": -74.8550637100931, + "chi1": 167.866183596271, "chi4": null, "chi5": null, - "a1": 121.24560973904, - "L4": 1.5116361600133, - "L5": 1.21467698266669, - "L2": 1.44907643683266, - "L3": 1.53044377616989, - "a7": 122.930401086242, - "L1": 1.33256577311361, + "a1": 120.589910833025, + "L4": 1.5332548309457, + "L5": 1.22184847532606, + "L2": 1.44193460005606, + "L3": 1.52432896984371, + "a7": 122.818692326112, + "L1": 1.3211854723402, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.77115578629, - "bs": 24.0, - "a2": 110.855700350201, - "a5": 119.991998123594, - "sidechain_LEU": 49, + "ss": "E", + "a3": 105.1469939653, + "bs": 15.0, + "a2": 113.268409799107, + "a5": 120.184457508836, + "sidechain_LEU": null, "chainIndex": 5, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.911007493539 + "a4": 110.07292702776 } }, { "pk": 524, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.444980148124, - "psi": -26.0566279071541, + "a6": 116.649769779999, + "psi": 110.197753901304, "oldID": "6", - "bg": 26.73, + "bg": 15.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.311495717315, + "zeta": 34.3052591371155, "sidechain_PHE": null, - "sidechain_LYS": 27, - "sidechain_VAL": null, + "sidechain_LYS": null, + "sidechain_VAL": 47, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 525, "sidechain_SER": null, - "bm": 28.0, + "bm": 15.0, "xpr": false, "prev": 523, "terminal_flag": false, - "phi": -50.2543374174749, - "chainID": "A", + "phi": -107.93034118381, + "chainID": "B", "sidechain_GLN": null, - "ome": -173.477586718864, - "chi2": 169.36409764858, - "chi3": -176.964011009469, - "chi1": 58.2447217842959, - "chi4": 158.46642231845, + "ome": -178.621683556717, + "chi2": null, + "chi3": null, + "chi1": -172.641305934666, + "chi4": null, "chi5": null, - "a1": 122.059668352598, - "L4": 1.55618217226243, - "L5": 1.2445978891027, - "L2": 1.45629708146086, - "L3": 1.56302259809388, - "a7": 121.789185772447, - "L1": 1.32546621364446, + "a1": 120.850797883622, + "L4": 1.52828790199268, + "L5": 1.23274754843554, + "L2": 1.45924434005289, + "L3": 1.53606863385097, + "a7": 122.053555154805, + "L1": 1.32725532078021, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.803242216513, - "bs": 25.0, - "a2": 110.91648485368, - "a5": 120.473201064463, + "ss": "E", + "a3": 109.537771301791, + "bs": 14.0, + "a2": 110.934137742893, + "a5": 121.282106199379, "sidechain_LEU": null, "chainIndex": 6, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.523787281635 + "a4": 109.961394022034 } }, { "pk": 525, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.411999875, - "psi": 1.01830619405274, + "chain": "1H0HB", + "sidechain_ASP": 31, + "a6": 117.753718872917, + "psi": 94.6781430291458, "oldID": "7", - "bg": 23.82, + "bg": 13.68, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 37.424607930965, + "zeta": 34.8994505909963, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 20, + "sidechain_THR": null, "sidechain_TRP": null, "next": 526, "sidechain_SER": null, - "bm": 24.0, + "bm": 14.0, "xpr": false, "prev": 524, "terminal_flag": false, - "phi": -94.6526216862982, - "chainID": "A", + "phi": -95.5396966643282, + "chainID": "B", "sidechain_GLN": null, - "ome": -167.335888759975, - "chi2": null, + "ome": -178.970910253489, + "chi2": -5.54724936661084, "chi3": null, - "chi1": 51.6078337434288, + "chi1": -177.247797029718, "chi4": null, "chi5": null, - "a1": 122.384914314518, - "L4": 1.53120182210586, - "L5": 1.22568536665946, - "L2": 1.47835491188247, - "L3": 1.54953485031848, - "a7": 121.633453435357, - "L1": 1.33458778693242, + "a1": 120.654498204493, + "L4": 1.51961053997636, + "L5": 1.2283202216825, + "L2": 1.44900153903083, + "L3": 1.52994680477745, + "a7": 122.994132818214, + "L1": 1.32613943730496, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 119.73597768034, - "bs": 22.0, - "a2": 108.915919314081, - "a5": 119.944623252959, + "ss": "E", + "a3": 107.814188143374, + "bs": 14.0, + "a2": 109.347241956788, + "a5": 119.238529055672, "sidechain_LEU": null, "chainIndex": 7, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 104.822941988172 + "a4": 111.208617289004 } }, { "pk": 526, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.460147632131, - "psi": -40.5555580937279, + "a6": 117.851141631605, + "psi": -19.6309656308066, "oldID": "8", - "bg": 28.87, + "bg": 15.45, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 29.1568110842221, + "zeta": 33.0399047747916, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 47, + "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 19, "sidechain_TRP": null, "next": 527, "sidechain_SER": null, - "bm": 28.0, + "bm": 13.0, "xpr": false, "prev": 525, "terminal_flag": false, - "phi": -49.6366681288645, - "chainID": "A", + "phi": -61.2840615560362, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.075105909535, + "ome": -179.373816215489, "chi2": null, "chi3": null, - "chi1": 76.5857112807504, + "chi1": 66.4264751106409, "chi4": null, "chi5": null, - "a1": 120.147481640798, - "L4": 1.54967938442915, - "L5": 1.25069319924695, - "L2": 1.47200977776372, - "L3": 1.57192041957656, - "a7": 121.990175200789, - "L1": 1.32477535343368, + "a1": 120.826075426021, + "L4": 1.52146247157399, + "L5": 1.24082057819706, + "L2": 1.47167412659956, + "L3": 1.54880973364025, + "a7": 121.636824846668, + "L1": 1.33989799242845, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 119.789874960701, - "bs": 29.0, - "a2": 111.7359564712, - "a5": 120.545900739792, + "ss": "G", + "a3": 112.706442213308, + "bs": 15.0, + "a2": 112.532053593776, + "a5": 120.451315738672, "sidechain_LEU": null, "chainIndex": 8, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.50415229485 + "a4": 109.167292003376 } }, { "pk": 527, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 31, - "a6": 115.749131243804, - "psi": 18.0210580491861, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 117.373221546781, + "psi": -13.3395070042597, "oldID": "9", - "bg": 34.41, + "bg": 15.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.0238146988521, + "zeta": 32.486672367795, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 20, "sidechain_TRP": null, "next": 528, "sidechain_SER": null, - "bm": 26.0, + "bm": 13.0, "xpr": false, "prev": 526, "terminal_flag": false, - "phi": -109.815152203272, - "chainID": "A", + "phi": -70.7510369264656, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.966200705335, - "chi2": -64.390757136948, + "ome": 178.215437082262, + "chi2": null, "chi3": null, - "chi1": -66.8092449472482, + "chi1": 71.6934522311805, "chi4": null, "chi5": null, - "a1": 119.699718875199, - "L4": 1.52615888256218, - "L5": 1.23574835048337, - "L2": 1.45814487979792, - "L3": 1.52494763934365, - "a7": 122.693251917358, - "L1": 1.3223320717242, + "a1": 117.855747683147, + "L4": 1.53445888902538, + "L5": 1.21803924805046, + "L2": 1.45462515233883, + "L3": 1.54575624613359, + "a7": 122.676500731111, + "L1": 1.32687127110442, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.76231305328, - "bs": 34.0, - "a2": 109.506762557056, - "a5": 121.526902518877, + "ss": "G", + "a3": 111.332865195019, + "bs": 14.0, + "a2": 113.50452776687, + "a5": 119.92590282766, "sidechain_LEU": null, "chainIndex": 9, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.675676997592 + "a4": 109.428493853022 } }, { "pk": 528, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.774964109292, - "psi": 156.232073034729, + "a6": 118.228606108553, + "psi": -2.76337009870364, "oldID": "10", - "bg": 0.0, + "bg": 14.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.7439004171557, + "zeta": 33.8792445577132, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95001,303 +82897,303 @@ "sidechain_TRP": null, "next": 529, "sidechain_SER": null, - "bm": 19.0, + "bm": 14.0, "xpr": false, "prev": 527, "terminal_flag": false, - "phi": -81.3232908615252, - "chainID": "A", + "phi": -104.775632687133, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.451547507955, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.846913055515, - "L4": 1.52966218842648, - "L5": 1.2448267497048, - "L2": 1.46144653804207, - "L3": 1.51256689364815, - "a7": 122.511065544456, - "L1": 1.32163687635126, - "sidechain_ARG": null, + "ome": -176.937265748522, + "chi2": -177.596214613255, + "chi3": 67.9281093415344, + "chi1": -57.8257193432847, + "chi4": 94.3782382432456, + "chi5": -0.801506834036977, + "a1": 120.125777804217, + "L4": 1.53339033467947, + "L5": 1.22994571493652, + "L2": 1.46126237107433, + "L3": 1.53420660457219, + "a7": 122.274005481446, + "L1": 1.3296946377133, + "sidechain_ARG": 25, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 113.00746033178, - "bs": 20.0, - "a2": 109.731205110588, - "a5": 120.694660164449, + "ss": "G", + "a3": 113.957348771477, + "bs": 16.0, + "a2": 111.21092635729, + "a5": 119.49556225898, "sidechain_LEU": null, "chainIndex": 10, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.574219114444 + "a4": 108.784667375179 } }, { "pk": 529, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.144646899273, - "psi": 129.751455627214, + "a6": 116.990050028862, + "psi": 131.665447196131, "oldID": "11", - "bg": 21.65, - "sidechain_CYS": null, + "bg": 18.69, + "sidechain_CYS": 5, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.0428931946566, + "zeta": 34.6473208376896, "sidechain_PHE": null, - "sidechain_LYS": 28, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 530, "sidechain_SER": null, - "bm": 17.0, + "bm": 14.0, "xpr": false, "prev": 528, "terminal_flag": false, - "phi": -78.9639921418066, - "chainID": "A", + "phi": -78.4501050085177, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.900786139524, - "chi2": -170.51612444632, - "chi3": 71.363694093159, - "chi1": 165.529642290144, - "chi4": 169.712653626707, + "ome": 178.404079259312, + "chi2": null, + "chi3": null, + "chi1": 174.848615074239, + "chi4": null, "chi5": null, - "a1": 118.836839951607, - "L4": 1.521423412876, - "L5": 1.22428455892256, - "L2": 1.46355264680705, - "L3": 1.52584552014334, - "a7": 123.036138521387, - "L1": 1.33016527800943, + "a1": 121.494673580456, + "L4": 1.52582442741013, + "L5": 1.22454124985894, + "L2": 1.47408969405737, + "L3": 1.54472554234237, + "a7": 121.739795246209, + "L1": 1.32535452384501, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.113218358985, - "bs": 23.0, - "a2": 111.841683852151, - "a5": 119.812447121159, + "ss": "-", + "a3": 112.009134366198, + "bs": 17.0, + "a2": 109.150941295357, + "a5": 121.266211649784, "sidechain_LEU": null, "chainIndex": 11, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.707775254235 + "a4": 110.539845296644 } }, { "pk": 530, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.571207016468, - "psi": 124.545196572589, + "a6": 116.447994096084, + "psi": 6.43581706900042, "oldID": "12", - "bg": 21.33, + "bg": 15.8, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.8816278942893, + "zeta": 34.7966561721597, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 21, "sidechain_TRP": null, "next": 531, "sidechain_SER": null, - "bm": 18.0, + "bm": 14.0, "xpr": false, "prev": 529, "terminal_flag": false, - "phi": -105.18003407371, - "chainID": "A", - "sidechain_GLN": 25, - "ome": 176.647448180364, - "chi2": -178.630266259623, - "chi3": -78.8213333526013, - "chi1": -169.045082180139, + "phi": -103.09420506668, + "chainID": "B", + "sidechain_GLN": null, + "ome": -177.43696996592, + "chi2": null, + "chi3": null, + "chi1": 50.0954525600106, "chi4": null, "chi5": null, - "a1": 121.25531566098, - "L4": 1.51787745047427, - "L5": 1.24340584325339, - "L2": 1.46492168749164, - "L3": 1.53735451754023, - "a7": 123.562427223947, - "L1": 1.32064715089129, + "a1": 120.48645916978, + "L4": 1.52125911465302, + "L5": 1.22625944625518, + "L2": 1.45081618283424, + "L3": 1.52416593686536, + "a7": 123.444544871946, + "L1": 1.31923527361918, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.793370496392, - "bs": 24.0, - "a2": 111.428310150597, - "a5": 119.858006507803, + "ss": "-", + "a3": 110.995703553327, + "bs": 16.0, + "a2": 110.227818596993, + "a5": 120.107105260137, "sidechain_LEU": null, "chainIndex": 12, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.284935042156 + "a4": 109.484067813414 } }, { "pk": 531, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.291391581527, - "psi": 167.43368738337, + "a6": 115.543841698068, + "psi": 37.8285577669477, "oldID": "13", - "bg": 16.79, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.4680239466606, + "zeta": 32.2153283459195, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 21, + "sidechain_THR": null, "sidechain_TRP": null, "next": 532, "sidechain_SER": null, - "bm": 16.0, + "bm": 14.0, "xpr": false, "prev": 530, "terminal_flag": false, - "phi": -130.366804653608, - "chainID": "A", + "phi": 57.17655040263, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.492341934789, + "ome": 178.199537143311, "chi2": null, "chi3": null, - "chi1": 51.4211546652837, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.646152413958, - "L4": 1.52858055668801, - "L5": 1.23227718667086, - "L2": 1.46411892499656, - "L3": 1.52205219679588, - "a7": 122.16428232214, - "L1": 1.33073365342073, + "a1": 121.713747873291, + "L4": 1.54404473894975, + "L5": 1.23782752474471, + "L2": 1.45322041170914, + "L3": 1.54049317436025, + "a7": 122.846029472941, + "L1": 1.32823056208701, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.004253333387, - "bs": 16.0, - "a2": 111.256176225596, - "a5": 120.542926370522, + "ss": "-", + "a3": 110.40210399024, + "bs": 12.0, + "a2": 110.946515493749, + "a5": 121.60763370897, "sidechain_LEU": null, "chainIndex": 13, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.750737019953 + "a4": 112.657789049933 } }, { "pk": 532, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.241927194928, - "psi": 157.724315934062, + "a6": 115.787801186357, + "psi": -14.6684794500782, "oldID": "14", - "bg": 17.5, - "sidechain_CYS": null, + "bg": 18.6, + "sidechain_CYS": 6, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.6303577859906, + "zeta": 34.5823805064351, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 22, + "sidechain_THR": null, "sidechain_TRP": null, "next": 533, "sidechain_SER": null, - "bm": 16.0, + "bm": 13.0, "xpr": false, "prev": 531, "terminal_flag": false, - "phi": -105.540032769976, - "chainID": "A", + "phi": -67.1205518115617, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.780587417471, + "ome": -177.984458905016, "chi2": null, "chi3": null, - "chi1": 57.1823441206565, + "chi1": 77.9130465104407, "chi4": null, "chi5": null, - "a1": 119.89714028498, - "L4": 1.52036543557134, - "L5": 1.2335737414585, - "L2": 1.47616397781242, - "L3": 1.54674046751665, - "a7": 123.21678772697, - "L1": 1.32970906786277, + "a1": 121.543530677907, + "L4": 1.54022484673971, + "L5": 1.22792609183756, + "L2": 1.46781839314463, + "L3": 1.54180997579158, + "a7": 122.593086032025, + "L1": 1.33571829867013, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.323442079076, + "ss": "-", + "a3": 109.736618712205, "bs": 16.0, - "a2": 113.328925945618, - "a5": 121.532993923973, + "a2": 109.326265117561, + "a5": 121.610213272155, "sidechain_LEU": null, "chainIndex": 14, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.977580446535 + "a4": 111.061815560201 } }, { "pk": 533, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.311979855548, - "psi": -175.714334539265, + "a6": 116.098416354874, + "psi": 13.948793774081, "oldID": "15", - "bg": 15.13, + "bg": 15.84, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.2515878941128, + "zeta": 26.2626473335264, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95305,102 +83201,102 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 534, - "sidechain_SER": 19, + "sidechain_SER": null, "bm": 15.0, "xpr": false, "prev": 532, "terminal_flag": false, - "phi": -151.9211018686, - "chainID": "A", + "phi": 61.8118603691763, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.644943666333, - "chi2": null, - "chi3": null, - "chi1": -166.04018630498, - "chi4": null, - "chi5": null, - "a1": 122.709387355294, - "L4": 1.52510286989076, - "L5": 1.22700063057321, - "L2": 1.46551878235334, - "L3": 1.52847226558942, - "a7": 124.504230547987, - "L1": 1.32904220831172, - "sidechain_ARG": null, + "ome": 172.057212068573, + "chi2": -164.192514016672, + "chi3": -80.5477050428128, + "chi1": -74.6704029666323, + "chi4": -156.915942570023, + "chi5": -0.880925393343235, + "a1": 122.75948370438, + "L4": 1.54601991196632, + "L5": 1.23384284993123, + "L2": 1.47161484474427, + "L3": 1.53049295650094, + "a7": 121.219962253201, + "L1": 1.32951626987518, + "sidechain_ARG": 26, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.356525810427, + "ss": "-", + "a3": 115.973123623723, "bs": 15.0, - "a2": 110.436657990077, - "a5": 119.163160919303, + "a2": 112.339124698093, + "a5": 122.658416446942, "sidechain_LEU": null, "chainIndex": 15, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.594270153498 + "a4": 115.862492520336 } }, { "pk": 534, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.73142138762, - "psi": 136.234574699382, + "a6": 117.349928905212, + "psi": -45.4843473606092, "oldID": "16", - "bg": 13.64, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.4750698568632, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 48, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 535, "sidechain_SER": null, - "bm": 13.0, + "bm": 16.0, "xpr": false, "prev": 533, "terminal_flag": false, - "phi": -137.355609845889, - "chainID": "A", + "phi": -56.3429158593794, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.716550081477, + "ome": 179.91246176253, "chi2": null, "chi3": null, - "chi1": 172.905685104479, + "chi1": null, "chi4": null, "chi5": null, - "a1": 125.24083974498, - "L4": 1.52258847496502, - "L5": 1.22404365727282, - "L2": 1.44781688576746, - "L3": 1.53872839163797, - "a7": 123.393742004407, - "L1": 1.33757537663127, + "a1": 120.270977500273, + "L4": 1.5455160028378, + "L5": 1.22963686878986, + "L2": 1.4577586479403, + "L3": null, + "a7": 122.875238838851, + "L1": 1.32262341974176, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 104.815649398256, - "bs": 14.0, - "a2": 110.854407349594, - "a5": 119.865039716933, + "ss": "H", + "a3": 112.718932861346, + "bs": 0.0, + "a2": null, + "a5": 119.772254671283, "sidechain_LEU": null, "chainIndex": 16, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.253724301385 + "a4": null } }, { @@ -95410,16 +83306,16 @@ "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.746030972915, - "psi": 139.305486401304, + "a6": 116.324331135879, + "psi": -43.8574866100848, "oldID": "17", - "bg": 15.9, - "sidechain_CYS": 5, + "bg": 19.13, + "sidechain_CYS": 7, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.7829434733346, + "zeta": 34.1313141689193, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95428,59 +83324,59 @@ "sidechain_TRP": null, "next": 536, "sidechain_SER": null, - "bm": 13.0, + "bm": 16.0, "xpr": false, "prev": 534, "terminal_flag": false, - "phi": -49.3525977019243, - "chainID": "A", + "phi": -61.8857507687632, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.735274096183, + "ome": -178.521629775439, "chi2": null, "chi3": null, - "chi1": -176.464227502311, + "chi1": 53.6235897851128, "chi4": null, "chi5": null, - "a1": 123.4148348903, - "L4": 1.5285733555302, - "L5": 1.23536309945226, - "L2": 1.43662685073483, - "L3": 1.55443508127492, - "a7": 123.073907967069, - "L1": 1.32987958957519, + "a1": 121.989331476316, + "L4": 1.54203270977683, + "L5": 1.24588510538336, + "L2": 1.46562472383483, + "L3": 1.55270277158493, + "a7": 122.915847527501, + "L1": 1.3379460422042, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.62124580964, - "bs": 14.0, - "a2": 109.963925480909, - "a5": 121.180027751561, + "ss": "H", + "a3": 112.045185435079, + "bs": 17.0, + "a2": 110.951354779691, + "a5": 120.75466780882, "sidechain_LEU": null, "chainIndex": 17, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.986920953884 + "a4": 109.481354776138 } }, { "pk": 536, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.0127112555, - "psi": 6.89047892791702, + "a6": 116.060001818501, + "psi": -49.7895018221324, "oldID": "18", - "bg": 16.36, - "sidechain_CYS": 6, + "bg": 14.91, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9681903654682, + "zeta": 33.118324660796, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95489,120 +83385,120 @@ "sidechain_TRP": null, "next": 537, "sidechain_SER": null, - "bm": 13.0, + "bm": 16.0, "xpr": false, "prev": 535, "terminal_flag": false, - "phi": -94.6041233792832, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.939788650897, - "chi2": null, - "chi3": null, - "chi1": 69.1957007001184, + "phi": -58.8195634589628, + "chainID": "B", + "sidechain_GLN": 25, + "ome": 177.642797655763, + "chi2": 171.262699407821, + "chi3": -48.4718992724035, + "chi1": -179.50775367479, "chi4": null, "chi5": null, - "a1": 120.585144271658, - "L4": 1.53815449699313, - "L5": 1.22691979682288, - "L2": 1.46581805377515, - "L3": 1.5251323735067, - "a7": 122.075429127173, - "L1": 1.31957549961889, + "a1": 121.587911664579, + "L4": 1.51156340596831, + "L5": 1.23030036955677, + "L2": 1.46822130966612, + "L3": 1.53830301331067, + "a7": 123.629933593553, + "L1": 1.32638249588831, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.81320516156, + "ss": "H", + "a3": 110.156563754861, "bs": 15.0, - "a2": 109.225359599447, - "a5": 119.899123806527, + "a2": 111.07334881456, + "a5": 120.287743998021, "sidechain_LEU": null, "chainIndex": 18, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.535395030867 + "a4": 111.401507231648 } }, { "pk": 537, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 119.295752123404, - "psi": -101.916774195585, + "a6": 116.634621924626, + "psi": -43.8735940777478, "oldID": "19", - "bg": 14.9, + "bg": 14.07, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 30.2236706862857, + "zeta": 32.2977202394695, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 48, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 538, "sidechain_SER": null, - "bm": 13.0, + "bm": 14.0, "xpr": false, "prev": 536, "terminal_flag": false, - "phi": -91.4645773469294, - "chainID": "A", + "phi": -67.0932196315109, + "chainID": "B", "sidechain_GLN": null, - "ome": -174.433942975124, - "chi2": -62.7404571259271, + "ome": -176.015749845841, + "chi2": null, "chi3": null, - "chi1": -72.6301322073785, + "chi1": 176.664184485925, "chi4": null, "chi5": null, - "a1": 119.291940519861, - "L4": 1.54228850873128, - "L5": 1.24098283761521, - "L2": 1.46379885507043, - "L3": 1.55557509388906, - "a7": 121.489810709349, - "L1": 1.33591827725009, + "a1": 121.998235944342, + "L4": 1.53573670009966, + "L5": 1.23207242282911, + "L2": 1.46624959334787, + "L3": 1.53347168598568, + "a7": 122.381009053465, + "L1": 1.32759435660193, "sidechain_ARG": null, - "sidechain_TYR": 17, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.574295034437, + "ss": "H", + "a3": 111.735122399451, "bs": 14.0, - "a2": 110.8339913712, - "a5": 119.134072770605, + "a2": 110.897335647657, + "a5": 120.889425335435, "sidechain_LEU": null, "chainIndex": 19, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.637303921159 + "a4": 111.987136397218 } }, { "pk": 538, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.3878999463, - "psi": 175.987705597841, + "a6": 116.57555793064, + "psi": -40.3373355842667, "oldID": "20", - "bg": 15.59, - "sidechain_CYS": 7, + "bg": 0.0, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 30.7276975993674, + "zeta": 33.5606753935711, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95611,59 +83507,59 @@ "sidechain_TRP": null, "next": 539, "sidechain_SER": null, - "bm": 13.0, + "bm": 14.0, "xpr": false, "prev": 537, "terminal_flag": false, - "phi": -85.2352666665886, - "chainID": "A", + "phi": -59.8290990966604, + "chainID": "B", "sidechain_GLN": null, - "ome": -170.962722616432, + "ome": 179.147059733386, "chi2": null, "chi3": null, - "chi1": 85.5948736551959, + "chi1": null, "chi4": null, "chi5": null, - "a1": 118.854385882251, - "L4": 1.53120765096319, - "L5": 1.22735873146599, - "L2": 1.47918080426411, - "L3": 1.54298713315143, - "a7": 122.293010096865, - "L1": 1.33806312200164, + "a1": 120.972673180246, + "L4": 1.52633581513752, + "L5": 1.23353963985853, + "L2": 1.45526384604743, + "L3": 1.5587578657822, + "a7": 123.941849692385, + "L1": 1.31728903672265, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 115.645092059916, + "ss": "H", + "a3": 111.599435452585, "bs": 14.0, - "a2": 112.042170193036, - "a5": 121.3190394312, + "a2": 111.333431096854, + "a5": 119.481297813627, "sidechain_LEU": null, "chainIndex": 20, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.284453389011 + "a4": 110.246135733873 } }, { "pk": 539, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.131585637348, - "psi": 7.85867430540235, + "a6": 116.867961916811, + "psi": -47.2318195353499, "oldID": "21", - "bg": 14.85, - "sidechain_CYS": null, + "bg": 16.32, + "sidechain_CYS": 8, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.2926560427329, + "zeta": 34.455383558744, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95671,121 +83567,121 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 540, - "sidechain_SER": 20, + "sidechain_SER": null, "bm": 14.0, "xpr": false, "prev": 538, "terminal_flag": false, - "phi": -81.1061876720351, - "chainID": "A", + "phi": -59.8583116429489, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.081561488542, + "ome": -178.924616013816, "chi2": null, "chi3": null, - "chi1": 70.0836310655048, + "chi1": -176.62801288234, "chi4": null, "chi5": null, - "a1": 121.484318107267, - "L4": 1.52406878316672, - "L5": 1.23064350118055, - "L2": 1.44663519316779, - "L3": 1.52566622941867, - "a7": 121.480941185042, - "L1": 1.3199327080019, + "a1": 121.862296153467, + "L4": 1.53232031175423, + "L5": 1.23544153539246, + "L2": 1.46285683856198, + "L3": 1.53785062527499, + "a7": 121.704460210434, + "L1": 1.33294288134148, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.549800849275, - "bs": 14.0, - "a2": 108.268943869117, - "a5": 120.377943164837, + "ss": "H", + "a3": 107.245909891702, + "bs": 15.0, + "a2": 111.033690899746, + "a5": 121.417710206694, "sidechain_LEU": null, "chainIndex": 21, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.107368991326 + "a4": 110.264682883344 } }, { "pk": 540, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.043784086657, - "psi": -39.1484916617237, + "a6": 116.280958859154, + "psi": -42.2333402526096, "oldID": "22", - "bg": 16.24, + "bg": 16.1, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.3889583737296, + "zeta": 32.6906259358855, "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 49, + "sidechain_LYS": 28, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 541, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 539, "terminal_flag": false, - "phi": -61.2858012622761, - "chainID": "A", + "phi": -63.6197268391913, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.593384091199, - "chi2": null, - "chi3": null, - "chi1": 173.960251685875, - "chi4": null, + "ome": -179.181839770962, + "chi2": -146.23373673252, + "chi3": 169.472984854327, + "chi1": -64.3483533493338, + "chi4": -169.687513771128, "chi5": null, - "a1": 118.927056198466, - "L4": 1.54275303483758, - "L5": 1.22842983835809, - "L2": 1.47110242031939, - "L3": 1.54288945796084, - "a7": 121.0662304802, - "L1": 1.33021841505371, + "a1": 119.853238594711, + "L4": 1.53487764743437, + "L5": 1.24237659281336, + "L2": 1.45725463870688, + "L3": 1.54923710940438, + "a7": 122.736010649743, + "L1": 1.32695805810744, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.037313818113, + "ss": "H", + "a3": 111.884231880007, "bs": 15.0, - "a2": 111.337482016943, - "a5": 120.868364381825, + "a2": 111.92691018391, + "a5": 120.979767270502, "sidechain_LEU": null, "chainIndex": 22, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.278111548149 + "a4": 110.577501875943 } }, { "pk": 541, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.367633385965, - "psi": 29.1761024256402, + "a6": 117.150406603799, + "psi": -44.9661622417974, "oldID": "23", - "bg": 0.0, + "bg": 13.06, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 33.4488950104348, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95794,120 +83690,120 @@ "sidechain_TRP": null, "next": 542, "sidechain_SER": null, - "bm": 15.0, + "bm": 14.0, "xpr": false, "prev": 540, "terminal_flag": false, - "phi": 90.0439344264862, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.751665891613, - "chi2": null, - "chi3": null, - "chi1": null, + "phi": -61.5652044810402, + "chainID": "B", + "sidechain_GLN": 26, + "ome": -179.718576056585, + "chi2": -84.048529079224, + "chi3": 158.908469310648, + "chi1": -159.420005397669, "chi4": null, "chi5": null, - "a1": 120.377623892168, - "L4": 1.52227523431978, - "L5": 1.2216794700369, - "L2": 1.4491287937846, - "L3": null, - "a7": 122.775177530144, - "L1": 1.33073248558836, + "a1": 121.436907935227, + "L4": 1.52358556668777, + "L5": 1.23684604263383, + "L2": 1.45661227288915, + "L3": 1.54952303844412, + "a7": 122.925834963603, + "L1": 1.33096702719424, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.145421313135, - "bs": 0.0, - "a2": null, - "a5": 119.789612410587, + "ss": "H", + "a3": 111.381222538644, + "bs": 13.0, + "a2": 111.808612066967, + "a5": 119.921811460174, "sidechain_LEU": null, "chainIndex": 23, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.900128133761 } }, { "pk": 542, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.219783584217, - "psi": 136.288603852605, + "a6": 116.983987311342, + "psi": -44.640273604449, "oldID": "24", - "bg": 14.7, - "sidechain_CYS": 8, + "bg": 13.99, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.3195580330421, + "zeta": 32.9082400436243, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, + "sidechain_TRP": 3, "next": 543, "sidechain_SER": null, - "bm": 15.0, + "bm": 13.0, "xpr": false, "prev": 541, "terminal_flag": false, - "phi": -58.1441273249132, - "chainID": "A", + "phi": -66.2197284160531, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.188733660328, - "chi2": null, + "ome": -175.361642073853, + "chi2": -111.600906759195, "chi3": null, - "chi1": -63.7638840692478, + "chi1": -177.402062459885, "chi4": null, "chi5": null, - "a1": 120.975682571074, - "L4": 1.51441345536841, - "L5": 1.22173870299339, - "L2": 1.47246104961577, - "L3": 1.54683757439781, - "a7": 122.393958868846, - "L1": 1.3388882206312, + "a1": 119.909400155725, + "L4": 1.52142234512471, + "L5": 1.22091756596529, + "L2": 1.4507507878044, + "L3": 1.52827375485343, + "a7": 122.430419963915, + "L1": 1.33112143801616, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.062305156355, + "ss": "H", + "a3": 111.98768070729, "bs": 14.0, - "a2": 110.065289393087, - "a5": 119.357094067799, + "a2": 113.167702559312, + "a5": 120.565911893207, "sidechain_LEU": null, "chainIndex": 24, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.764527064932 + "a4": 108.855442042356 } }, { "pk": 543, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.058061359835, - "psi": 148.112279332792, + "a6": 117.882850794637, + "psi": -7.17251019303092, "oldID": "25", - "bg": 0.0, + "bg": 18.11, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 34.465884133163, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95916,59 +83812,59 @@ "sidechain_TRP": null, "next": 544, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 542, "terminal_flag": false, - "phi": -79.6331019022295, - "chainID": "A", + "phi": -86.9327093837237, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.766339584446, + "ome": -174.761471686949, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -59.7501188506859, "chi4": null, "chi5": null, - "a1": 120.556651253359, - "L4": 1.52826627251953, - "L5": 1.2358728256058, - "L2": 1.46364050750817, - "L3": null, - "a7": 123.347891997834, - "L1": 1.33779704695606, + "a1": 119.512048512522, + "L4": 1.52378565145068, + "L5": 1.23150812191825, + "L2": 1.45870901004174, + "L3": 1.5289836087894, + "a7": 122.309453306718, + "L1": 1.32129688970168, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.526149961301, - "bs": 0.0, - "a2": null, - "a5": 120.545663971369, + "ss": "H", + "a3": 114.828122695269, + "bs": 17.0, + "a2": 109.491822189182, + "a5": 119.791991243434, "sidechain_LEU": null, "chainIndex": 25, - "sidechain_HIS": null, + "sidechain_HIS": 25, "h_bond_energy": 0.0, - "a4": null + "a4": 109.464217828744 } }, { "pk": 544, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.169503660687, - "psi": 154.657667886618, + "a6": 117.565198832092, + "psi": 31.9490269752896, "oldID": "26", - "bg": 17.11, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 38.2547405858548, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -95977,59 +83873,59 @@ "sidechain_TRP": null, "next": 545, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 543, "terminal_flag": false, - "phi": -122.739007040381, - "chainID": "A", + "phi": 71.4691096580049, + "chainID": "B", "sidechain_GLN": null, - "ome": 169.740588164844, - "chi2": 177.95516440803, + "ome": -177.89323187491, + "chi2": null, "chi3": null, - "chi1": -58.343485624571, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.303022323096, - "L4": 1.51819951788052, - "L5": 1.21639184611411, - "L2": 1.44566867469568, - "L3": 1.54053394810907, - "a7": 122.807609767836, - "L1": 1.33207808144695, + "a1": 119.575738819645, + "L4": 1.52192777511953, + "L5": 1.22949351991606, + "L2": 1.44521201716355, + "L3": null, + "a7": 122.211442855726, + "L1": 1.33816156070956, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.743217556011, - "bs": 16.0, - "a2": 108.835560860398, - "a5": 120.021534962307, - "sidechain_LEU": 50, + "ss": "T", + "a3": 114.290988703821, + "bs": 0.0, + "a2": null, + "a5": 120.202911135603, + "sidechain_LEU": null, "chainIndex": 26, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.167202665314 + "a4": null } }, { "pk": 545, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 17, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.835959457276, - "psi": 130.825944673752, + "a6": 117.103392782872, + "psi": 135.721433292576, "oldID": "27", - "bg": 18.86, + "bg": 16.1, "sidechain_CYS": null, - "sidechain_ILE": 28, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.8454296996134, + "zeta": 34.3288228706625, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96038,120 +83934,120 @@ "sidechain_TRP": null, "next": 546, "sidechain_SER": null, - "bm": 15.0, + "bm": 17.0, "xpr": false, "prev": 544, "terminal_flag": false, - "phi": -118.085301092142, - "chainID": "A", + "phi": -83.8814819422855, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.967173641511, - "chi2": -56.8075154661838, + "ome": 178.883554102317, + "chi2": -25.7302269240116, "chi3": null, - "chi1": -74.0028095791209, + "chi1": -66.685341666902, "chi4": null, "chi5": null, - "a1": 121.777571074236, - "L4": 1.52280528274928, - "L5": 1.23145546997467, - "L2": 1.45580148675244, - "L3": 1.55243648196947, - "a7": 123.005366974057, - "L1": 1.32941117994356, + "a1": 119.125580358376, + "L4": 1.51213224938936, + "L5": 1.23208216856608, + "L2": 1.45258714115591, + "L3": 1.5410516890521, + "a7": 122.528248538845, + "L1": 1.33296614980697, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.265696331581, - "bs": 19.0, - "a2": 112.694755103892, - "a5": 120.154373699607, + "ss": "-", + "a3": 108.927381980372, + "bs": 16.0, + "a2": 111.672675730103, + "a5": 120.336937454399, "sidechain_LEU": null, "chainIndex": 27, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.386796287886 + "a4": 109.560382575773 } }, { "pk": 546, "model": "pgd_core.residue", "fields": { - "aa": "v", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 30, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.804740706339, - "psi": 133.243208137209, + "a6": 115.696005624637, + "psi": 161.530786247907, "oldID": "28", - "bg": 14.73, + "bg": 16.67, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.9709346027162, + "zeta": 39.9760157179067, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 50, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 547, "sidechain_SER": null, - "bm": 14.0, + "bm": 17.0, "xpr": false, "prev": 545, "terminal_flag": false, - "phi": -118.528634283032, - "chainID": "A", + "phi": -73.6894268001862, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.627810313445, - "chi2": null, - "chi3": null, - "chi1": 178.997376489909, - "chi4": null, + "ome": 170.328913496501, + "chi2": -42.5346850431959, + "chi3": 36.9250747476163, + "chi1": 30.9415448020842, + "chi4": -17.9882190297361, "chi5": null, - "a1": 121.418893289227, - "L4": 1.51302210773129, - "L5": 1.21107501433262, - "L2": 1.45293734908751, - "L3": 1.55328441550596, - "a7": 123.425979843407, - "L1": 1.32702295588637, + "a1": 121.113171178452, + "L4": 1.52415347930997, + "L5": 1.23253729323816, + "L2": 1.4636590303347, + "L3": 1.5390857178376, + "a7": 123.891044644691, + "L1": 1.32187170518259, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.75087377371, - "bs": 14.0, - "a2": 109.801266565704, - "a5": 119.745815269702, + "omep": -4.22362723774674, + "ss": "-", + "a3": 111.854663714418, + "bs": 16.0, + "a2": 103.061873446441, + "a5": 120.4122354084, "sidechain_LEU": null, "chainIndex": 28, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.949308718838 + "a4": 109.033469034458 } }, { "pk": 547, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.934143979668, - "psi": 121.31431624818, + "a6": 116.82890867813, + "psi": 156.903794555334, "oldID": "29", - "bg": 19.37, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.6090098809943, + "zeta": 36.397710869156, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96164,36 +84060,36 @@ "xpr": false, "prev": 546, "terminal_flag": false, - "phi": -115.440263679608, - "chainID": "A", + "phi": -71.4264291459386, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.126869117359, + "ome": 176.708658647857, "chi2": null, "chi3": null, - "chi1": -80.4428148851884, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.866710279755, - "L4": 1.52399835472395, - "L5": 1.22436800463627, - "L2": 1.45909581434556, - "L3": 1.51846195962996, - "a7": 124.278832069147, - "L1": 1.33366168997141, + "a1": 121.497591458307, + "L4": 1.52178716011754, + "L5": 1.24105254245458, + "L2": 1.45252518444015, + "L3": 1.54721234892257, + "a7": 123.219597737594, + "L1": 1.32972536782375, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.386218048584, - "bs": 20.0, - "a2": 109.692435366661, - "a5": 119.759439614214, + "ss": "-", + "a3": 104.50136916157, + "bs": 15.0, + "a2": 109.579865172838, + "a5": 119.951449598036, "sidechain_LEU": null, "chainIndex": 29, - "sidechain_HIS": 25, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.896443090952 + "a4": 109.574489857671 } }, { @@ -96203,77 +84099,77 @@ "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.95590437711, - "psi": 131.439022002744, + "a6": 117.501479539785, + "psi": 161.520039402663, "oldID": "30", - "bg": 18.97, + "bg": 15.76, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.5164764446142, + "zeta": 33.7012897123326, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 23, + "sidechain_THR": 22, "sidechain_TRP": null, "next": 549, "sidechain_SER": null, - "bm": 16.0, + "bm": 18.0, "xpr": false, "prev": 547, "terminal_flag": false, - "phi": -116.59385773119, - "chainID": "A", + "phi": -123.043125824349, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.892952101545, + "ome": -174.058644622111, "chi2": null, "chi3": null, - "chi1": -60.6897142249836, + "chi1": 60.5919214841561, "chi4": null, "chi5": null, - "a1": 124.333377148642, - "L4": 1.52828294679864, - "L5": 1.24288416576281, - "L2": 1.4450487244332, - "L3": 1.53083562053492, - "a7": 122.92611155967, - "L1": 1.32909429665622, + "a1": 122.199131489179, + "L4": 1.5360063356628, + "L5": 1.23726357340361, + "L2": 1.4618623841384, + "L3": 1.49673299074042, + "a7": 122.402012173956, + "L1": 1.33453241909148, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.785275272735, - "bs": 17.0, - "a2": 108.020733488089, - "a5": 121.103545889769, - "sidechain_LEU": null, - "chainIndex": 30, + "ss": "-", + "a3": 109.059553885157, + "bs": 16.0, + "a2": 110.827056599284, + "a5": 120.096276829325, + "sidechain_LEU": null, + "chainIndex": 30, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.364400120044 + "a4": 110.54954348885 } }, { "pk": 549, "model": "pgd_core.residue", "fields": { - "aa": "d", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 31, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 32, - "a6": 116.789617028031, - "psi": 126.162275809548, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 116.137346762515, + "psi": 130.50182121067, "oldID": "31", - "bg": 20.78, + "bg": 21.79, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.6774953942922, + "zeta": 38.4441427860906, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96286,299 +84182,299 @@ "xpr": false, "prev": 548, "terminal_flag": false, - "phi": -66.9257060983878, - "chainID": "A", + "phi": -64.6633559240324, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.382719827235, - "chi2": -57.6333969490105, - "chi3": null, - "chi1": -173.676654179472, - "chi4": null, + "ome": 176.72585894287, + "chi2": 26.8361877611697, + "chi3": -28.2418483602026, + "chi1": -14.2883002370752, + "chi4": 20.1695316118286, "chi5": null, - "a1": 122.426157296056, - "L4": 1.53787976091376, - "L5": 1.22834257903037, - "L2": 1.46296886446991, - "L3": 1.52348881621433, - "a7": 122.83442863734, - "L1": 1.32509243296541, + "a1": 121.423309924215, + "L4": 1.5203877317625, + "L5": 1.22738406178893, + "L2": 1.47461887136843, + "L3": 1.5428852998699, + "a7": 123.419253142343, + "L1": 1.32907548134747, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 5.41699142340143, "ss": "-", - "a3": 106.599869856031, - "bs": 21.0, - "a2": 108.329717823026, - "a5": 120.357619160356, + "a3": 113.253954930302, + "bs": 20.0, + "a2": 104.361192461007, + "a5": 120.443256815459, "sidechain_LEU": null, "chainIndex": 31, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.412192048852 + "a4": 109.685233798772 } }, { "pk": 550, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.634498791952, - "psi": -23.570870574242, + "a6": 114.539864455622, + "psi": 162.145002054397, "oldID": "32", - "bg": 20.95, + "bg": 16.64, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.1745439243584, + "zeta": 34.6839421244302, "sidechain_PHE": null, - "sidechain_LYS": 29, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 23, "sidechain_TRP": null, "next": 551, "sidechain_SER": null, - "bm": 20.0, + "bm": 15.0, "xpr": false, "prev": 549, "terminal_flag": false, - "phi": -69.0305087904737, - "chainID": "A", + "phi": -142.969881196705, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.824778372949, - "chi2": -176.834389388494, - "chi3": -173.229733822643, - "chi1": -58.8666107963939, - "chi4": 179.857841492936, + "ome": 173.883279070606, + "chi2": null, + "chi3": null, + "chi1": 59.3863321250054, + "chi4": null, "chi5": null, - "a1": 121.473083078387, - "L4": 1.53919731034517, - "L5": 1.22872371608149, - "L2": 1.45312176871265, - "L3": 1.53361642166589, - "a7": 122.739789451915, - "L1": 1.32434292686205, + "a1": 121.163386385706, + "L4": 1.51282300820412, + "L5": 1.2315060435568, + "L2": 1.45560584414349, + "L3": 1.55415689446713, + "a7": 124.268925591812, + "L1": 1.32834751511483, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.967268535503, - "bs": 23.0, - "a2": 111.210753490931, - "a5": 119.613501382242, + "ss": "-", + "a3": 110.742925372984, + "bs": 16.0, + "a2": 111.997625507466, + "a5": 121.181471850301, "sidechain_LEU": null, "chainIndex": 32, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.032497253173 + "a4": 108.289540972114 } }, { "pk": 551, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.082524400998, - "psi": -43.293885998923, + "a6": 116.820735784355, + "psi": 160.624857774262, "oldID": "33", - "bg": 26.56, + "bg": 22.58, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.544729502433, + "zeta": 32.1881655876177, "sidechain_PHE": null, - "sidechain_LYS": 30, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 552, "sidechain_SER": null, - "bm": 21.0, + "bm": 16.0, "xpr": false, "prev": 550, "terminal_flag": false, - "phi": -84.5821051823935, - "chainID": "A", + "phi": -142.40659125502, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.065298469153, - "chi2": 173.020435935841, - "chi3": 171.017936694496, - "chi1": -58.7599887040009, - "chi4": -175.843544047096, + "ome": 178.129102572734, + "chi2": -176.006510867251, + "chi3": -8.94636837858187, + "chi1": 67.8813040698939, + "chi4": null, "chi5": null, - "a1": 121.548838838973, - "L4": 1.52910581952667, - "L5": 1.22685381251276, - "L2": 1.46211805108758, - "L3": 1.53418732169518, - "a7": 121.626086325033, - "L1": 1.33065554847135, + "a1": 122.342620920995, + "L4": 1.53350612637973, + "L5": 1.23705130907523, + "L2": 1.44434597285818, + "L3": 1.53157820320842, + "a7": 121.544095924536, + "L1": 1.3261876640267, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 52, "omep": null, - "ss": "T", - "a3": 113.115039560669, - "bs": 27.0, - "a2": 111.281265679156, - "a5": 120.291374265246, + "ss": "-", + "a3": 106.303864268187, + "bs": 24.0, + "a2": 111.240420839033, + "a5": 121.491170583777, "sidechain_LEU": null, "chainIndex": 33, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.473614586586 + "a4": 113.860702614986 } }, { "pk": 552, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 18, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.228575233113, - "psi": -15.6735938316802, + "a6": 115.899737725106, + "psi": 114.014937213741, "oldID": "34", - "bg": 18.21, + "bg": 14.48, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.0952174693792, + "zeta": 33.3419416667226, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 24, + "sidechain_THR": null, "sidechain_TRP": null, "next": 553, "sidechain_SER": null, - "bm": 18.0, + "bm": 14.0, "xpr": false, "prev": 551, "terminal_flag": false, - "phi": -93.6593220931692, - "chainID": "A", + "phi": -90.5174678490897, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.229039223259, - "chi2": null, + "ome": -179.079638061218, + "chi2": -49.8305243114996, "chi3": null, - "chi1": 65.9702040994132, + "chi1": -166.822858297768, "chi4": null, "chi5": null, - "a1": 118.52137752607, - "L4": 1.50779969301161, - "L5": 1.23372081386261, - "L2": 1.45605845268208, - "L3": 1.53968821281397, - "a7": 123.951667826543, - "L1": 1.32891777180111, + "a1": 118.120397014256, + "L4": 1.5221835260017, + "L5": 1.24046182753487, + "L2": 1.44945151920109, + "L3": 1.52690139902918, + "a7": 123.999691083246, + "L1": 1.31392589706273, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.971831398371, - "bs": 18.0, - "a2": 111.272795582525, - "a5": 119.64231209476, + "ss": "-", + "a3": 109.501449862149, + "bs": 13.0, + "a2": 111.937364461384, + "a5": 120.097958571787, "sidechain_LEU": null, "chainIndex": 34, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.23615755719 + "a4": 110.35072350149 } }, { "pk": 553, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "t", "sidechain_PRO": null, - "sidechain_ASN": 17, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.242748537614, - "psi": 22.7569648473863, + "a6": 116.273233153019, + "psi": 20.0460013837831, "oldID": "35", - "bg": 21.96, + "bg": 17.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.7104813785115, + "zeta": 33.4851153936277, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 24, "sidechain_TRP": null, "next": 554, "sidechain_SER": null, - "bm": 17.0, + "bm": 15.0, "xpr": false, "prev": 552, "terminal_flag": false, - "phi": 61.3571587424565, - "chainID": "A", + "phi": -107.110570240527, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.212934627564, - "chi2": -40.9967470060677, + "ome": 178.236885299096, + "chi2": null, "chi3": null, - "chi1": -57.9402276889975, + "chi1": 53.2405984265821, "chi4": null, "chi5": null, - "a1": 121.554004625525, - "L4": 1.5351913447009, - "L5": 1.2156195680538, - "L2": 1.46102585054151, - "L3": 1.52466826662262, - "a7": 122.838770922426, - "L1": 1.32835141330785, + "a1": 122.435977102053, + "L4": 1.51843372545811, + "L5": 1.22105673765837, + "L2": 1.45726565916127, + "L3": 1.53377025886237, + "a7": 123.713411496355, + "L1": 1.33350846693059, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.379637597628, - "bs": 22.0, - "a2": 110.400020597589, - "a5": 119.903867319335, + "ss": "S", + "a3": 114.053520899166, + "bs": 16.0, + "a2": 110.238921877827, + "a5": 120.009036158478, "sidechain_LEU": null, "chainIndex": 35, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.925042751035 + "a4": 110.351025145108 } }, { "pk": 554, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.225141246425, - "psi": 153.62690701026, + "a6": 116.937390300401, + "psi": 13.5241648402202, "oldID": "36", - "bg": 17.64, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.6694458379588, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96587,60 +84483,60 @@ "sidechain_TRP": null, "next": 555, "sidechain_SER": null, - "bm": 17.0, + "bm": 15.0, "xpr": false, "prev": 553, "terminal_flag": false, - "phi": -107.947536911449, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.916098020068, - "chi2": -43.1243086021577, - "chi3": -43.5939838164234, - "chi1": -61.2106130005189, - "chi4": 158.890011233134, - "chi5": 1.96719260866537, - "a1": 121.846570946052, - "L4": 1.51683989587805, - "L5": 1.24275967725298, - "L2": 1.47332711075324, - "L3": 1.53934603685728, - "a7": 123.102602591103, - "L1": 1.32775736920666, - "sidechain_ARG": 25, + "phi": 111.961440306861, + "chainID": "B", + "sidechain_GLN": null, + "ome": 179.385842813978, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 121.995258081081, + "L4": 1.52974026001467, + "L5": 1.22714947317512, + "L2": 1.45337817803008, + "L3": null, + "a7": 122.665611840178, + "L1": 1.33436438808542, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.183960338234, - "bs": 17.0, - "a2": 111.407957602338, - "a5": 120.671224925193, + "ss": "S", + "a3": 114.560284198262, + "bs": 0.0, + "a2": null, + "a5": 120.383269677649, "sidechain_LEU": null, "chainIndex": 36, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.808354337162 + "a4": null } }, { "pk": 555, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.491522415572, - "psi": 138.804470711387, + "a6": 115.216654365634, + "psi": 155.698482183339, "oldID": "37", - "bg": 0.0, + "bg": 17.06, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.7456223625486, - "sidechain_PHE": null, + "zeta": 36.7262689830257, + "sidechain_PHE": 24, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -96648,59 +84544,59 @@ "sidechain_TRP": null, "next": 556, "sidechain_SER": null, - "bm": 15.0, + "bm": 14.0, "xpr": false, "prev": 554, "terminal_flag": false, - "phi": -65.9281085865872, - "chainID": "A", + "phi": -142.295118341137, + "chainID": "B", "sidechain_GLN": null, - "ome": 170.242329275864, - "chi2": null, + "ome": 177.716333222386, + "chi2": -87.5971554991795, "chi3": null, - "chi1": null, + "chi1": -48.6199021340457, "chi4": null, "chi5": null, - "a1": 121.578634526723, - "L4": 1.52906766115463, - "L5": 1.22315350504472, - "L2": 1.44203296032347, - "L3": 1.50488285498547, - "a7": 122.354998467228, - "L1": 1.32634397070138, + "a1": 122.671210119435, + "L4": 1.5031436904679, + "L5": 1.23916086877103, + "L2": 1.4649386790546, + "L3": 1.51944385936294, + "a7": 123.530540171844, + "L1": 1.32538091072138, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.728895312375, - "bs": 15.0, - "a2": 109.121931879707, - "a5": 120.146419262311, + "ss": "-", + "a3": 113.280848379531, + "bs": 18.0, + "a2": 109.720785050306, + "a5": 121.143751023081, "sidechain_LEU": null, "chainIndex": 37, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.569704128283 + "a4": 106.59446139111 } }, { "pk": 556, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.285273007339, - "psi": -11.6664417138228, + "a6": 116.982982459592, + "psi": -25.3462695265166, "oldID": "38", - "bg": 17.57, + "bg": 14.2, "sidechain_CYS": null, - "sidechain_ILE": 29, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 30.7929800622534, + "zeta": 33.1065841281132, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96709,59 +84605,59 @@ "sidechain_TRP": null, "next": 557, "sidechain_SER": null, - "bm": 13.0, + "bm": 15.0, "xpr": false, "prev": 555, "terminal_flag": false, - "phi": -112.363675667438, - "chainID": "A", + "phi": -82.5924644966233, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.98853806344, - "chi2": 164.139185848711, + "ome": 178.652184474705, + "chi2": null, "chi3": null, - "chi1": 59.6529681147593, + "chi1": -74.0497932854739, "chi4": null, "chi5": null, - "a1": 118.986628042575, - "L4": 1.52516770783298, - "L5": 1.2170913320787, - "L2": 1.44745768200946, - "L3": 1.55073101258868, - "a7": 123.122458253012, - "L1": 1.32593331704386, + "a1": 119.761784082172, + "L4": 1.51592604686017, + "L5": 1.21774440851048, + "L2": 1.45746949659814, + "L3": 1.51752599138323, + "a7": 122.981609699762, + "L1": 1.32732068335999, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.464608259185, - "bs": 18.0, - "a2": 114.531046216741, - "a5": 119.592253553578, + "ss": "S", + "a3": 111.601136502095, + "bs": 14.0, + "a2": 110.618685424643, + "a5": 119.957395084052, "sidechain_LEU": null, "chainIndex": 38, - "sidechain_HIS": null, + "sidechain_HIS": 26, "h_bond_energy": 0.0, - "a4": 111.190785704774 + "a4": 111.186791565947 } }, { "pk": 557, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "q", "sidechain_PRO": null, - "sidechain_ASN": 18, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.059488212261, - "psi": 143.531251575211, + "a6": 116.663538522404, + "psi": 136.476721343907, "oldID": "39", - "bg": 16.94, + "bg": 17.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.6139809439603, + "zeta": 34.6163342194748, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96774,58 +84670,58 @@ "xpr": false, "prev": 556, "terminal_flag": false, - "phi": -161.526154905785, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.513252135795, - "chi2": 69.681300365291, - "chi3": null, - "chi1": -165.872960576704, + "phi": -64.4656103662593, + "chainID": "B", + "sidechain_GLN": 27, + "ome": 178.617630969717, + "chi2": -171.776910271194, + "chi3": -25.8998241799188, + "chi1": 168.021880938751, "chi4": null, "chi5": null, - "a1": 122.898674091429, - "L4": 1.51741005928934, - "L5": 1.2514826380242, - "L2": 1.4502913553863, - "L3": 1.53822833901859, - "a7": 123.991011687463, - "L1": 1.3307872879523, + "a1": 119.951311305914, + "L4": 1.54802901932271, + "L5": 1.23864759510889, + "L2": 1.46209420715113, + "L3": 1.5252600506469, + "a7": 122.333446990984, + "L1": 1.33063582106847, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.044907303394, - "bs": 16.0, - "a2": 110.979542822915, - "a5": 120.924941579031, + "ss": "-", + "a3": 109.928100812772, + "bs": 18.0, + "a2": 109.931726943908, + "a5": 120.854616510364, "sidechain_LEU": null, "chainIndex": 39, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.159350724807 + "a4": 110.136606955816 } }, { "pk": 558, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 19, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.420504369462, - "psi": 121.37134210693, + "a6": 119.032577030058, + "psi": 134.379900648373, "oldID": "40", - "bg": 17.08, + "bg": 15.61, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.4455012243043, + "zeta": 33.5299280033638, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 51, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, @@ -96835,55 +84731,55 @@ "xpr": false, "prev": 557, "terminal_flag": false, - "phi": -142.660270745507, - "chainID": "A", + "phi": -172.608452425805, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.859247514169, - "chi2": null, + "ome": -0.774299974586682, + "chi2": -36.1973641500376, "chi3": null, - "chi1": -179.357796278714, + "chi1": -113.535848918758, "chi4": null, "chi5": null, - "a1": 122.760440498682, - "L4": 1.51146427696603, - "L5": 1.23925743101179, - "L2": 1.45119264784749, - "L3": 1.52579146315487, - "a7": 123.46271246887, - "L1": 1.33197831914743, + "a1": 122.13062433145, + "L4": 1.5252603631427, + "L5": 1.23729805133658, + "L2": 1.4702888256854, + "L3": 1.54697120479988, + "a7": 121.497887148502, + "L1": 1.32407772541398, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.821791850063, + "ss": "-", + "a3": 109.24004806822, "bs": 16.0, - "a2": 113.687545842758, - "a5": 121.107080226317, + "a2": 110.603019171163, + "a5": 119.249559497237, "sidechain_LEU": null, "chainIndex": 40, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.285235041042 + "a4": 111.596579963244 } }, { "pk": 559, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 32, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.088499488337, - "psi": -175.815722644321, + "a6": 115.77999276902, + "psi": 167.425027380446, "oldID": "41", - "bg": 16.78, + "bg": 17.98, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.2561535472535, + "zeta": 38.6178308783776, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96892,59 +84788,59 @@ "sidechain_TRP": null, "next": 560, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 558, "terminal_flag": false, - "phi": -149.358701883833, - "chainID": "A", + "phi": -64.7588975554124, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.109262190241, - "chi2": 179.754545693045, - "chi3": 60.1072097938587, - "chi1": 68.1885558201029, - "chi4": null, + "ome": -176.322707249921, + "chi2": 20.3485878603612, + "chi3": -22.4862878977996, + "chi1": -9.57578481849472, + "chi4": 17.0559246730695, "chi5": null, - "a1": 120.924400550279, - "L4": 1.5130133977476, - "L5": 1.2410562218447, - "L2": 1.45622006288133, - "L3": 1.53973275859198, - "a7": 123.085199126422, - "L1": 1.32270674883109, + "a1": 125.123663251878, + "L4": 1.54759641556411, + "L5": 1.22626535023967, + "L2": 1.47390701767784, + "L3": 1.53032447521693, + "a7": 122.325439385062, + "L1": 1.33281719427008, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 52, - "omep": null, - "ss": "E", - "a3": 110.411614856822, + "sidechain_GLU": null, + "omep": -179.670527864503, + "ss": "S", + "a3": 113.472460074558, "bs": 17.0, - "a2": 110.064194148554, - "a5": 120.826006574951, + "a2": 103.757255004949, + "a5": 121.879785126078, "sidechain_LEU": null, "chainIndex": 41, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.212554739715 + "a4": 109.679843448673 } }, { "pk": 560, "model": "pgd_core.residue", "fields": { - "aa": "g", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 33, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.817059918536, - "psi": 149.047410581692, + "a6": 116.389529285137, + "psi": -25.4119306962317, "oldID": "42", - "bg": 0.0, + "bg": 17.66, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 40.8754692132046, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -96953,40 +84849,40 @@ "sidechain_TRP": null, "next": 561, "sidechain_SER": null, - "bm": 15.0, + "bm": 17.0, "xpr": false, "prev": 559, "terminal_flag": false, - "phi": -76.9092457911115, - "chainID": "A", + "phi": -66.8545418122573, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.203470057381, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": -172.540960658729, + "chi2": 25.8135897791021, + "chi3": -25.1450808482241, + "chi1": -15.4112675132769, + "chi4": 14.8574193678026, "chi5": null, - "a1": 120.209365786705, - "L4": 1.51352874824363, - "L5": 1.23471643594321, - "L2": 1.44698322571737, - "L3": null, - "a7": 123.431674091223, - "L1": 1.32723851111985, + "a1": 122.701866592713, + "L4": 1.51317765204366, + "L5": 1.23206616214199, + "L2": 1.47134484661951, + "L3": 1.54042535465208, + "a7": 123.115000827148, + "L1": 1.31397700739952, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.277171046617, - "bs": 0.0, - "a2": null, - "a5": 121.749161873895, + "omep": 1.32388827745969, + "ss": "S", + "a3": 112.98552551611, + "bs": 17.0, + "a2": 103.44454819748, + "a5": 120.481840997667, "sidechain_LEU": null, "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 107.239105089308 } }, { @@ -96996,16 +84892,16 @@ "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 33, - "a6": 117.019929338215, - "psi": 106.536068016605, + "chain": "1H0HB", + "sidechain_ASP": 32, + "a6": 116.419883364522, + "psi": 166.639598854595, "oldID": "43", - "bg": 16.37, + "bg": 18.1, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.965931798555, + "zeta": 35.3841755090507, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97014,60 +84910,60 @@ "sidechain_TRP": null, "next": 562, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 560, "terminal_flag": false, - "phi": -85.6903746757097, - "chainID": "A", + "phi": -160.74895338887, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.021125738845, - "chi2": -5.92526199021863, + "ome": 172.900478067221, + "chi2": 28.3309532785882, "chi3": null, - "chi1": -178.337346626737, + "chi1": -168.104304716093, "chi4": null, "chi5": null, - "a1": 122.859959477544, - "L4": 1.5329644335116, - "L5": 1.21552728264805, - "L2": 1.4515594717599, - "L3": 1.52569143538991, - "a7": 121.78283865436, - "L1": 1.33046051869565, + "a1": 120.152322906081, + "L4": 1.5160445472848, + "L5": 1.23045351306329, + "L2": 1.45191986775075, + "L3": 1.54842213170264, + "a7": 122.170557773118, + "L1": 1.32514856340861, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.988519608171, - "bs": 16.0, - "a2": 108.312914688725, - "a5": 121.193315953572, + "ss": "S", + "a3": 109.169933402662, + "bs": 18.0, + "a2": 108.323329635679, + "a5": 121.362152435656, "sidechain_LEU": null, "chainIndex": 43, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.931635582604 + "a4": 111.378739461899 } }, { "pk": 562, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 30, + "aa": "f", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.072432642039, - "psi": -24.6807710240038, + "a6": 116.738668707396, + "psi": 145.708975390117, "oldID": "44", - "bg": 17.33, + "bg": 15.61, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 39.2659766214212, - "sidechain_PHE": null, + "zeta": 39.32986427212, + "sidechain_PHE": 25, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -97075,59 +84971,59 @@ "sidechain_TRP": null, "next": 563, "sidechain_SER": null, - "bm": 17.0, + "bm": 15.0, "xpr": false, "prev": 561, "terminal_flag": false, - "phi": -58.613634907022, - "chainID": "A", + "phi": -55.8830090582832, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.238574898808, - "chi2": -41.0649664231113, - "chi3": 40.4590897226048, - "chi1": 24.6901250379166, - "chi4": -25.7274627843873, + "ome": 169.931474432008, + "chi2": -62.126685773717, + "chi3": null, + "chi1": -70.1909106957151, + "chi4": null, "chi5": null, - "a1": 121.267508005202, - "L4": 1.53090405381488, - "L5": 1.23521817790296, - "L2": 1.47465120994087, - "L3": 1.53359985777725, - "a7": 122.444771835972, - "L1": 1.32286429379291, + "a1": 120.560479192077, + "L4": 1.51572443858293, + "L5": 1.22503092832802, + "L2": 1.4456307024089, + "L3": 1.53026374526362, + "a7": 122.953948154679, + "L1": 1.32407391846647, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 5.63959704385743, - "ss": "T", - "a3": 113.214223362438, - "bs": 16.0, - "a2": 102.975462943518, - "a5": 120.482348151151, + "omep": null, + "ss": "-", + "a3": 110.789809262388, + "bs": 15.0, + "a2": 109.384249126531, + "a5": 120.306137566492, "sidechain_LEU": null, "chainIndex": 44, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.713793409186 + "a4": 103.83678971555 } }, { "pk": 563, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 34, - "a6": 117.45628637055, - "psi": -11.2893613830086, + "sidechain_ASN": 20, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 117.290457602514, + "psi": 175.80850719612, "oldID": "45", - "bg": 23.47, + "bg": 16.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.5496855527352, + "zeta": 30.4998879539278, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97136,60 +85032,60 @@ "sidechain_TRP": null, "next": 564, "sidechain_SER": null, - "bm": 17.0, + "bm": 16.0, "xpr": false, "prev": 562, "terminal_flag": false, - "phi": -87.3654445565642, - "chainID": "A", + "phi": -141.171417903605, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.717721683669, - "chi2": -43.0466556899027, + "ome": -179.563349080416, + "chi2": 55.2899111965346, "chi3": null, - "chi1": -63.1153869813919, + "chi1": 56.8951794094934, "chi4": null, "chi5": null, - "a1": 121.389420747551, - "L4": 1.53321242001721, - "L5": 1.23398340018401, - "L2": 1.46979298145493, - "L3": 1.52639123194778, - "a7": 122.272277791012, - "L1": 1.32536150878486, + "a1": 121.401263785636, + "L4": 1.53160278016591, + "L5": 1.25010771136924, + "L2": 1.46852097620696, + "L3": 1.54562290905728, + "a7": 122.911107147721, + "L1": 1.33128654428129, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.594645151377, - "bs": 23.0, - "a2": 110.442386304924, - "a5": 120.265793845451, + "ss": "B", + "a3": 107.963540308361, + "bs": 15.0, + "a2": 113.52399998559, + "a5": 119.773538455795, "sidechain_LEU": null, "chainIndex": 45, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.32816687249 + "a4": 113.456729533363 } }, { "pk": 564, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.186033731765, - "psi": 127.118399962776, + "a6": 117.375133103634, + "psi": -27.6804411760127, "oldID": "46", - "bg": 12.93, + "bg": 15.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.2483969583298, - "sidechain_PHE": null, + "zeta": 33.7977035060128, + "sidechain_PHE": 26, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -97197,59 +85093,59 @@ "sidechain_TRP": null, "next": 565, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 563, "terminal_flag": false, - "phi": -69.8515324988121, - "chainID": "A", + "phi": -50.9038094129926, + "chainID": "B", "sidechain_GLN": null, - "ome": -174.823882816928, - "chi2": null, + "ome": -174.821025831439, + "chi2": 79.5982501547874, "chi3": null, - "chi1": -166.985748482462, + "chi1": -175.401242065137, "chi4": null, "chi5": null, - "a1": 119.585735178038, - "L4": 1.52654098098898, - "L5": 1.23965385961407, - "L2": 1.46522438246681, - "L3": 1.54341241767177, - "a7": 122.502809830585, - "L1": 1.32438992564247, + "a1": 121.818292232775, + "L4": 1.5320060049097, + "L5": 1.23605884810264, + "L2": 1.47566158880172, + "L3": 1.55308178925946, + "a7": 122.117147134466, + "L1": 1.3341000967579, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.117768211835, - "bs": 14.0, - "a2": 111.188144579188, - "a5": 120.216686708407, + "ss": "T", + "a3": 113.080262429905, + "bs": 15.0, + "a2": 110.405873495063, + "a5": 120.50601216613, "sidechain_LEU": null, "chainIndex": 46, - "sidechain_HIS": 26, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.76592954027 + "a4": 110.139424795923 } }, { "pk": 565, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 31, + "aa": "h", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 119.81417291994, - "psi": -27.405481462495, + "a6": 117.069824168478, + "psi": 7.46357590211222, "oldID": "47", - "bg": 15.46, + "bg": 16.44, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.6722625876984, + "zeta": 35.8208471199647, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97258,120 +85154,120 @@ "sidechain_TRP": null, "next": 566, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 564, "terminal_flag": false, - "phi": -64.6328752211763, - "chainID": "A", + "phi": -107.221428991585, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.720556393642, - "chi2": -40.1102115726067, - "chi3": 35.9782805502563, - "chi1": 27.6703457172528, - "chi4": -18.3767781317793, + "ome": -172.424843560657, + "chi2": null, + "chi3": null, + "chi1": -59.997716334996, + "chi4": null, "chi5": null, - "a1": 121.478094550384, - "L4": 1.53812514820078, - "L5": 1.19343279753327, - "L2": 1.47532582188467, - "L3": 1.54237980459099, - "a7": 121.943627719792, - "L1": 1.33157222281267, + "a1": 119.996477028504, + "L4": 1.51442755260006, + "L5": 1.24003644411276, + "L2": 1.46398656448105, + "L3": 1.5168400352247, + "a7": 123.017794568362, + "L1": 1.33133509439989, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 2.66180802715374, + "omep": null, "ss": "T", - "a3": 114.681848645067, - "bs": 15.0, - "a2": 103.211868498325, - "a5": 118.235645360951, + "a3": 114.138472914118, + "bs": 17.0, + "a2": 110.50095906788, + "a5": 119.906754107615, "sidechain_LEU": null, "chainIndex": 47, - "sidechain_HIS": null, + "sidechain_HIS": 27, "h_bond_energy": 0.0, - "a4": 112.765984861735 + "a4": 106.723710108785 } }, { "pk": 566, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.672718394221, - "psi": -51.6388574476846, + "a6": 116.622771413301, + "psi": 101.777015591789, "oldID": "48", - "bg": 12.9, + "bg": 15.18, "sidechain_CYS": null, - "sidechain_ILE": 30, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.1165720965741, + "zeta": 36.4038443619278, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 25, "sidechain_TRP": null, "next": 567, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 565, "terminal_flag": false, - "phi": -76.63809046675, - "chainID": "A", + "phi": -136.39664811683, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.422397117287, - "chi2": 176.952400874447, + "ome": -173.64775609401, + "chi2": null, "chi3": null, - "chi1": -63.6185508911019, + "chi1": -52.5624231970218, "chi4": null, "chi5": null, - "a1": 120.472045271754, - "L4": 1.54392835166229, - "L5": 1.23108059045578, - "L2": 1.43891799319359, - "L3": 1.53328451666939, - "a7": 122.573186547002, - "L1": 1.3286937748105, + "a1": 121.660222472748, + "L4": 1.51474056408077, + "L5": 1.22703250452726, + "L2": 1.45350526369148, + "L3": 1.5340552478857, + "a7": 122.87273830103, + "L1": 1.323283446676, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.972825683313, - "bs": 14.0, - "a2": 110.034607292825, - "a5": 119.73823973925, + "ss": "B", + "a3": 109.648525228387, + "bs": 15.0, + "a2": 107.868620375091, + "a5": 120.495422682863, "sidechain_LEU": null, "chainIndex": 48, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.066295340687 + "a4": 110.017024685393 } }, { "pk": 567, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "y", "sidechain_PRO": null, - "sidechain_ASN": 19, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.923937342178, - "psi": -21.5249095932088, + "a6": 116.413812761499, + "psi": -19.5200349166939, "oldID": "49", - "bg": 16.55, + "bg": 15.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.2452067042996, + "zeta": 37.3458187150998, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97380,120 +85276,120 @@ "sidechain_TRP": null, "next": 568, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 566, "terminal_flag": false, - "phi": -99.8062865624415, - "chainID": "A", + "phi": -96.4991561894211, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.624560164179, - "chi2": -47.5777913283056, + "ome": -175.361600526084, + "chi2": -21.3163504090534, "chi3": null, - "chi1": 63.0677911020434, + "chi1": -50.6350334632176, "chi4": null, "chi5": null, - "a1": 120.553890912463, - "L4": 1.53287729630664, - "L5": 1.22293945260575, - "L2": 1.47631309076552, - "L3": 1.54676913799933, - "a7": 122.859066968479, - "L1": 1.33234922107026, + "a1": 122.449598409761, + "L4": 1.51756221888209, + "L5": 1.21653292224411, + "L2": 1.43969709208511, + "L3": 1.51107033760974, + "a7": 122.974870727109, + "L1": 1.32677563323019, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 17, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.362646456433, - "bs": 16.0, - "a2": 111.693501520025, - "a5": 120.216926968281, + "ss": "S", + "a3": 112.342449094927, + "bs": 15.0, + "a2": 110.108799999104, + "a5": 120.518455959753, "sidechain_LEU": null, "chainIndex": 49, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.727202130503 + "a4": 105.501652003051 } }, { "pk": 568, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.1749039185, - "psi": 34.4178489867576, + "a6": 115.463925313288, + "psi": 121.967444935329, "oldID": "50", - "bg": 16.22, + "bg": 19.02, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.4025067042858, + "zeta": 34.4548435343778, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 29, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 569, "sidechain_SER": null, - "bm": 16.0, + "bm": 17.0, "xpr": false, "prev": 567, "terminal_flag": false, - "phi": 53.875106883759, - "chainID": "A", + "phi": -127.56511828304, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.351525802202, - "chi2": 179.981438535499, - "chi3": -22.7319078747887, - "chi1": -48.1641564725858, - "chi4": null, + "ome": -176.145824338486, + "chi2": 62.9319257856775, + "chi3": 161.313761163064, + "chi1": -176.360740870894, + "chi4": 169.130793778273, "chi5": null, - "a1": 122.363627855885, - "L4": 1.53354071028704, - "L5": 1.22547839677701, - "L2": 1.45785363395423, - "L3": 1.53572737271205, - "a7": 124.263500660504, - "L1": 1.32238221386986, + "a1": 121.575871167709, + "L4": 1.50514124493465, + "L5": 1.23690922157479, + "L2": 1.45853933467026, + "L3": 1.53980683695053, + "a7": 123.683542141262, + "L1": 1.33312761563002, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 53, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.495355611037, - "bs": 17.0, - "a2": 110.735207084645, - "a5": 119.497102035348, + "ss": "-", + "a3": 103.430561098909, + "bs": 19.0, + "a2": 109.773274313875, + "a5": 120.694036285349, "sidechain_LEU": null, "chainIndex": 50, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.707446196495 + "a4": 112.764322974779 } }, { "pk": 569, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.953120491544, - "psi": -9.52599315994217, + "a6": 116.591587585775, + "psi": 117.202201896845, "oldID": "51", - "bg": 0.0, + "bg": 17.11, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 35.4288441263035, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97502,120 +85398,120 @@ "sidechain_TRP": null, "next": 570, "sidechain_SER": null, - "bm": 16.0, + "bm": 17.0, "xpr": false, "prev": 568, "terminal_flag": false, - "phi": 92.126274756989, - "chainID": "A", + "phi": -134.277612783994, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.480149275626, - "chi2": null, + "ome": 178.681955381404, + "chi2": 68.8123389364967, "chi3": null, - "chi1": null, + "chi1": -174.521850599475, "chi4": null, "chi5": null, - "a1": 124.355928400489, - "L4": 1.51542380109951, - "L5": 1.24429151937815, - "L2": 1.4598793321161, - "L3": null, - "a7": 123.239436228405, - "L1": 1.33409182524523, + "a1": 120.539339240307, + "L4": 1.51979931101216, + "L5": 1.2319515796703, + "L2": 1.44083981271288, + "L3": 1.53139543945254, + "a7": 122.377359975052, + "L1": 1.3255692494186, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.862346574647, - "bs": 0.0, - "a2": null, - "a5": 119.80005675401, - "sidechain_LEU": null, + "ss": "E", + "a3": 112.077710207987, + "bs": 16.0, + "a2": 108.819037553246, + "a5": 121.030661493359, + "sidechain_LEU": 49, "chainIndex": 51, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.856880674659 } }, { "pk": 570, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.534672180524, - "psi": 155.822645898057, + "a6": 114.993913577492, + "psi": 107.128027746541, "oldID": "52", - "bg": 11.21, + "bg": 17.25, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.9310803104333, + "zeta": 31.5072042520764, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 49, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 571, - "sidechain_SER": 21, - "bm": 14.0, + "sidechain_SER": null, + "bm": 16.0, "xpr": false, "prev": 569, "terminal_flag": false, - "phi": -75.848186312381, - "chainID": "A", + "phi": -81.3149935456452, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.912712809784, + "ome": -178.827059683878, "chi2": null, "chi3": null, - "chi1": 62.5231942735503, + "chi1": 177.885152079271, "chi4": null, "chi5": null, - "a1": 119.972730566959, - "L4": 1.52979401529672, - "L5": 1.23458076348312, - "L2": 1.46067527501813, - "L3": 1.54374870794238, - "a7": 123.900926772121, - "L1": 1.34099158162698, + "a1": 119.047936068787, + "L4": 1.52368237221482, + "L5": 1.23872902106618, + "L2": 1.45565069652817, + "L3": 1.55656516415374, + "a7": 122.850758051541, + "L1": 1.32953150258769, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.867994720298, - "bs": 12.0, - "a2": 112.41517861476, - "a5": 120.498747155699, + "ss": "E", + "a3": 110.319062030812, + "bs": 16.0, + "a2": 112.886024257371, + "a5": 122.130633328157, "sidechain_LEU": null, "chainIndex": 52, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.415085558145 + "a4": 111.969292596883 } }, { "pk": 571, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.675512982359, - "psi": 141.023199685683, + "a6": 116.976251225687, + "psi": 144.981818227063, "oldID": "53", - "bg": 14.45, + "bg": 16.1, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.2058809192326, + "zeta": 34.4340210690162, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97624,120 +85520,120 @@ "sidechain_TRP": null, "next": 572, "sidechain_SER": null, - "bm": 16.0, + "bm": 15.0, "xpr": false, "prev": 570, "terminal_flag": false, - "phi": -152.53808890149, - "chainID": "A", + "phi": -86.8418700169186, + "chainID": "B", "sidechain_GLN": null, - "ome": 171.791293625349, - "chi2": 176.881671762496, - "chi3": null, - "chi1": -61.358740864195, - "chi4": null, - "chi5": null, - "a1": 123.417519442485, - "L4": 1.51962216626097, - "L5": 1.23486631710155, - "L2": 1.46176116800362, - "L3": 1.52545482292309, - "a7": 122.298746136073, - "L1": 1.32849557137459, - "sidechain_ARG": null, + "ome": -173.829777726883, + "chi2": -178.760877932535, + "chi3": -170.263502315443, + "chi1": -67.5964520149478, + "chi4": -77.239465860727, + "chi5": 1.32749793782151, + "a1": 120.798805878105, + "L4": 1.51162931963874, + "L5": 1.22578558788429, + "L2": 1.44138313217587, + "L3": 1.52089206223872, + "a7": 122.833743740422, + "L1": 1.3264431644709, + "sidechain_ARG": 27, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.432139879225, - "bs": 14.0, - "a2": 111.186681923505, - "a5": 120.018896247925, - "sidechain_LEU": 51, + "ss": "E", + "a3": 107.571101365849, + "bs": 16.0, + "a2": 109.460632293863, + "a5": 120.138454804271, + "sidechain_LEU": null, "chainIndex": 53, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.561383097265 + "a4": 111.854661375629 } }, { "pk": 572, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.367686183037, - "psi": -178.591046992283, + "a6": 116.57058387936, + "psi": 124.394072570747, "oldID": "54", - "bg": 15.61, - "sidechain_CYS": 9, + "bg": 17.01, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.628811267916, + "zeta": 34.2234233667761, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 12, "sidechain_THR": null, "sidechain_TRP": null, "next": 573, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 571, "terminal_flag": false, - "phi": -76.7393631545473, - "chainID": "A", + "phi": -139.594061013466, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.976044757301, - "chi2": null, - "chi3": null, - "chi1": 70.1202648958023, + "ome": -177.946127374168, + "chi2": 165.493700382399, + "chi3": 72.5320123607913, + "chi1": -53.8468836488227, "chi4": null, "chi5": null, - "a1": 119.134586405214, - "L4": 1.55181546614283, - "L5": 1.21834304814989, - "L2": 1.45403347479534, - "L3": 1.52436381049108, - "a7": 121.375591084079, - "L1": 1.32849386758473, + "a1": 120.67110491643, + "L4": 1.51667981590941, + "L5": 1.24919746784914, + "L2": 1.45806722174, + "L3": 1.54348476935498, + "a7": 123.200738510164, + "L1": 1.32688246865908, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.460208743366, - "bs": 15.0, - "a2": 110.730967756362, - "a5": 121.252383265116, + "ss": "E", + "a3": 108.806056390568, + "bs": 17.0, + "a2": 110.829804640256, + "a5": 120.228576002005, "sidechain_LEU": null, "chainIndex": 54, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.300182713656 + "a4": 110.57559485192 } }, { "pk": 573, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.37145215751, - "psi": -44.0441124656222, + "a6": 115.184780966306, + "psi": 122.684953744192, "oldID": "55", - "bg": 0.0, + "bg": 23.2, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.4796105737277, + "zeta": 33.6606153022195, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97746,120 +85642,120 @@ "sidechain_TRP": null, "next": 574, "sidechain_SER": null, - "bm": 12.0, + "bm": 15.0, "xpr": false, "prev": 572, "terminal_flag": false, - "phi": -47.4820149209475, - "chainID": "A", + "phi": -138.157933766127, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.564067915846, + "ome": 175.9967934949, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -69.5787172614091, "chi4": null, "chi5": null, - "a1": 119.965715279633, - "L4": 1.51928931419785, - "L5": 1.24462463195618, - "L2": 1.46142503852301, - "L3": 1.53311936887077, - "a7": 122.455035188712, - "L1": 1.32427790850495, + "a1": 120.621261670956, + "L4": 1.51920276572589, + "L5": 1.24265962450395, + "L2": 1.46860620416343, + "L3": 1.53519211819004, + "a7": 122.978213878689, + "L1": 1.33512853138939, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.950163896956, - "bs": 14.0, - "a2": 111.061288846051, - "a5": 121.173303923775, + "ss": "E", + "a3": 113.786317306483, + "bs": 24.0, + "a2": 111.398148323279, + "a5": 121.831301991497, "sidechain_LEU": null, "chainIndex": 55, - "sidechain_HIS": null, + "sidechain_HIS": 28, "h_bond_energy": 0.0, - "a4": 110.574990366564 + "a4": 108.988987973653 } }, { "pk": 574, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.301167734999, - "psi": -53.0086797060336, + "a6": 116.710884128593, + "psi": 138.230621689802, "oldID": "56", - "bg": 15.31, + "bg": 15.9, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 30.5435932210521, + "zeta": 35.1098520632234, "sidechain_PHE": null, - "sidechain_LYS": 31, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 575, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 573, "terminal_flag": false, - "phi": -65.2302895717141, - "chainID": "A", + "phi": -71.2379448959617, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.377745075177, - "chi2": -172.680048277263, - "chi3": -54.7617540324582, - "chi1": -58.0045032123333, - "chi4": -57.7303939806645, + "ome": 178.823061918916, + "chi2": -166.718228582263, + "chi3": 12.2248562283886, + "chi1": -76.0070983910606, + "chi4": null, "chi5": null, - "a1": 119.800124338574, - "L4": 1.54124425685668, - "L5": 1.25536868214169, - "L2": 1.45820073117728, - "L3": 1.54977558859363, - "a7": 122.516426056464, - "L1": 1.33347247015992, + "a1": 120.453566479033, + "L4": 1.51146309438091, + "L5": 1.23711978508676, + "L2": 1.43985550174288, + "L3": 1.52281523420188, + "a7": 123.414933506508, + "L1": 1.31581468068844, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 53, "omep": null, - "ss": "H", - "a3": 115.761139290226, - "bs": 12.0, - "a2": 110.859704115332, - "a5": 120.1818077673, + "ss": "E", + "a3": 107.615768558901, + "bs": 16.0, + "a2": 110.807000788152, + "a5": 119.870711209391, "sidechain_LEU": null, "chainIndex": 56, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.754393644269 + "a4": 109.487508995401 } }, { "pk": 575, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.206969600696, - "psi": -39.036352678089, + "a6": 115.693489017263, + "psi": 130.069579452137, "oldID": "57", - "bg": 0.0, + "bg": 18.14, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 34.8763957635011, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97868,59 +85764,59 @@ "sidechain_TRP": null, "next": 576, "sidechain_SER": null, - "bm": 15.0, + "bm": 18.0, "xpr": false, "prev": 574, "terminal_flag": false, - "phi": -59.0686721950491, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.80383687217, - "chi2": null, - "chi3": null, - "chi1": null, + "phi": -147.736866789149, + "chainID": "B", + "sidechain_GLN": 28, + "ome": 175.941419718864, + "chi2": -71.4505154116323, + "chi3": 3.44030035777864, + "chi1": -57.5126310740709, "chi4": null, "chi5": null, - "a1": 120.240284548739, - "L4": 1.51563770339978, - "L5": 1.21088388166662, - "L2": 1.45402896521846, - "L3": null, - "a7": 121.678444938752, - "L1": 1.32555854790673, + "a1": 121.073149699801, + "L4": 1.49712609464739, + "L5": 1.2297535957909, + "L2": 1.46312148267224, + "L3": 1.54578723491202, + "a7": 123.582233277904, + "L1": 1.33017509098011, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.73723807867, - "bs": 0.0, - "a2": null, - "a5": 122.061843870547, + "ss": "E", + "a3": 109.748783361798, + "bs": 18.0, + "a2": 112.131647414229, + "a5": 120.720190419129, "sidechain_LEU": null, "chainIndex": 57, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.121918502249 } }, { "pk": 576, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.043608352723, - "psi": -22.91151486362, + "a6": 116.061412965129, + "psi": 118.806405116788, "oldID": "58", - "bg": 0.0, + "bg": 29.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.6979008842967, + "zeta": 34.6940013371114, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97929,59 +85825,59 @@ "sidechain_TRP": null, "next": 577, "sidechain_SER": null, - "bm": 15.0, + "bm": 23.0, "xpr": false, "prev": 575, "terminal_flag": false, - "phi": -64.9566613369772, - "chainID": "A", + "phi": -87.0618975193807, + "chainID": "B", "sidechain_GLN": null, - "ome": -173.250236942663, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -179.17635749898, + "chi2": 167.12736854108, + "chi3": 16.1756274802181, + "chi1": -166.760596574966, "chi4": null, "chi5": null, - "a1": 120.445941310042, - "L4": 1.52974956719875, - "L5": 1.21718965678509, - "L2": 1.45785641455142, - "L3": 1.53565686136007, - "a7": 122.7928896751, - "L1": 1.31802429820609, + "a1": 121.017432582874, + "L4": 1.51112847502657, + "L5": 1.22209196193671, + "L2": 1.44361844637296, + "L3": 1.52127752739677, + "a7": 122.464232608778, + "L1": 1.32196712718593, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 54, "omep": null, - "ss": "H", - "a3": 112.397958260966, - "bs": 14.0, - "a2": 109.292548222885, - "a5": 120.154081916159, + "ss": "E", + "a3": 105.683421819836, + "bs": 30.0, + "a2": 110.34198699717, + "a5": 121.441591841461, "sidechain_LEU": null, "chainIndex": 58, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.1854174937 + "a4": 111.062444314373 } }, { "pk": 577, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.772316073848, - "psi": -0.949687638065657, + "a6": 115.823736259115, + "psi": 121.556700713055, "oldID": "59", - "bg": 12.19, + "bg": 25.71, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 28, "protein": "1H0H", - "zeta": 37.748558792279, + "zeta": 35.1889803365167, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -97989,182 +85885,182 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 578, - "sidechain_SER": 22, - "bm": 14.0, + "sidechain_SER": null, + "bm": 24.0, "xpr": false, "prev": 576, "terminal_flag": false, - "phi": -92.8921631907212, - "chainID": "A", + "phi": -122.260734606277, + "chainID": "B", "sidechain_GLN": null, - "ome": -173.761134120382, - "chi2": null, + "ome": -179.758546930499, + "chi2": 175.667759787583, "chi3": null, - "chi1": 75.2405516500911, + "chi1": -67.0087265352289, "chi4": null, "chi5": null, - "a1": 123.09013136205, - "L4": 1.52131486208229, - "L5": 1.22807025656404, - "L2": 1.4515319738981, - "L3": 1.54181900278533, - "a7": 122.957607132849, - "L1": 1.33033031121871, + "a1": 120.807033938403, + "L4": 1.5150381631688, + "L5": 1.23482624764396, + "L2": 1.44295168868607, + "L3": 1.52243394517973, + "a7": 123.613516160538, + "L1": 1.31627373207492, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.434700872483, - "bs": 12.0, - "a2": 108.842278548918, - "a5": 120.261219777307, + "ss": "E", + "a3": 109.646229722911, + "bs": 26.0, + "a2": 109.337898080168, + "a5": 120.557915215492, "sidechain_LEU": null, "chainIndex": 59, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.500276788831 + "a4": 110.265495480858 } }, { "pk": 578, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.59475992329, - "psi": -42.5633449243062, + "chain": "1H0HB", + "sidechain_ASP": 33, + "a6": 115.017018471976, + "psi": 44.6165614223124, "oldID": "60", - "bg": 17.06, + "bg": 26.61, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.2526830994187, + "zeta": 33.2183561139617, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 25, + "sidechain_THR": null, "sidechain_TRP": null, "next": 579, "sidechain_SER": null, - "bm": 15.0, + "bm": 25.0, "xpr": false, "prev": 577, "terminal_flag": false, - "phi": -43.7693828600389, - "chainID": "A", + "phi": 54.9022856486123, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.957089174643, - "chi2": null, + "ome": 177.889061546155, + "chi2": -30.3786738389175, "chi3": null, - "chi1": -61.187725589104, + "chi1": -72.0678940087333, "chi4": null, "chi5": null, - "a1": 123.69865941654, - "L4": 1.53563095367553, - "L5": 1.2313679668864, - "L2": 1.46566576049938, - "L3": 1.56333664862102, - "a7": 122.632548292189, - "L1": 1.32892317205547, + "a1": 122.160785070504, + "L4": 1.52467880271691, + "L5": 1.23487481011097, + "L2": 1.46091118566764, + "L3": 1.53479192050022, + "a7": 123.293264481879, + "L1": 1.33099987302632, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 116.224870941052, - "bs": 16.0, - "a2": 109.660107534377, - "a5": 120.724415331825, + "ss": "T", + "a3": 110.142537634652, + "bs": 26.0, + "a2": 111.523017017184, + "a5": 121.679158931822, "sidechain_LEU": null, "chainIndex": 60, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.570945488845 + "a4": 110.742283957144 } }, { "pk": 579, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.948735611988, - "psi": -43.4403085652913, + "a6": 118.072228937732, + "psi": -0.873939728471353, "oldID": "61", - "bg": 15.6, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.5683694574831, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 3, + "sidechain_TRP": null, "next": 580, "sidechain_SER": null, - "bm": 15.0, + "bm": 23.0, "xpr": false, "prev": 578, "terminal_flag": false, - "phi": -51.7705706560662, - "chainID": "A", + "phi": 75.6197707044871, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.495708890117, - "chi2": 92.784319400933, + "ome": -179.813289870146, + "chi2": null, "chi3": null, - "chi1": -177.971553625206, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.371566246065, - "L4": 1.52239639170623, - "L5": 1.23090828372731, - "L2": 1.45990495497712, - "L3": 1.53134181553902, - "a7": 122.951699859378, - "L1": 1.32139561587814, + "a1": 121.202267041032, + "L4": 1.51238637810837, + "L5": 1.22698135671539, + "L2": 1.44755912444205, + "L3": null, + "a7": 123.241285843633, + "L1": 1.3253037404403, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.886682329969, - "bs": 16.0, - "a2": 110.275449512505, - "a5": 121.097442530907, + "ss": "T", + "a3": 116.057784894729, + "bs": 0.0, + "a2": null, + "a5": 118.678154683863, "sidechain_LEU": null, "chainIndex": 61, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.815682734899 + "a4": null } }, { "pk": 580, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.00381154806, - "psi": -24.3007546355608, + "a6": 116.426284992918, + "psi": 138.350196400388, "oldID": "62", - "bg": 12.7, + "bg": 25.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.8237563330483, + "zeta": 33.8320011658014, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98173,59 +86069,59 @@ "sidechain_TRP": null, "next": 581, "sidechain_SER": null, - "bm": 15.0, + "bm": 18.0, "xpr": false, "prev": 579, "terminal_flag": false, - "phi": -67.0687818101255, - "chainID": "A", - "sidechain_GLN": 26, - "ome": 178.091324339892, - "chi2": -169.843689661866, - "chi3": -6.71226810967707, - "chi1": -100.595912603599, - "chi4": null, - "chi5": null, - "a1": 121.460145379202, - "L4": 1.52321400879961, - "L5": 1.21654027183361, - "L2": 1.45363631929639, - "L3": 1.52053313401163, - "a7": 123.241620703321, - "L1": 1.32968308026797, - "sidechain_ARG": null, + "phi": -120.206193319665, + "chainID": "B", + "sidechain_GLN": null, + "ome": 177.784744886976, + "chi2": -161.214377336742, + "chi3": -155.136352316294, + "chi1": -76.0820521469441, + "chi4": -36.7595472685039, + "chi5": 0.304441505509448, + "a1": 120.61354292531, + "L4": 1.51423922774657, + "L5": 1.23296344605887, + "L2": 1.46650799444236, + "L3": 1.53820691933174, + "a7": 122.952227820573, + "L1": 1.33246704628244, + "sidechain_ARG": 28, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.231975997846, - "bs": 13.0, - "a2": 110.554530191283, - "a5": 119.626016748539, + "ss": "E", + "a3": 111.08308282118, + "bs": 29.0, + "a2": 112.325521249233, + "a5": 120.620710926208, "sidechain_LEU": null, "chainIndex": 62, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.381820988252 + "a4": 108.80123211235 } }, { "pk": 581, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.1971517615, - "psi": -48.5200854851295, + "a6": 114.13033144608, + "psi": 144.162042255186, "oldID": "63", - "bg": 15.02, + "bg": 15.4, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 29, "protein": "1H0H", - "zeta": 34.9060942328091, + "zeta": 32.681417575625, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98234,59 +86130,59 @@ "sidechain_TRP": null, "next": 582, "sidechain_SER": null, - "bm": 15.0, + "bm": 14.0, "xpr": false, "prev": 580, "terminal_flag": false, - "phi": -68.9084393341003, - "chainID": "A", + "phi": -66.3413158904251, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.911518163253, - "chi2": 63.5412899203257, + "ome": 175.519114173573, + "chi2": 53.4689201525793, "chi3": null, - "chi1": 170.642853397128, + "chi1": -168.780762912358, "chi4": null, "chi5": null, - "a1": 121.82058049086, - "L4": 1.54184476434484, - "L5": 1.2358263728138, - "L2": 1.46834049544269, - "L3": 1.5318291301308, - "a7": 121.964049194241, - "L1": 1.32834722677883, + "a1": 120.004057042709, + "L4": 1.51867231654928, + "L5": 1.24135825298038, + "L2": 1.45327921449973, + "L3": 1.55835875344682, + "a7": 123.34809244427, + "L1": 1.32051988922955, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.386891819307, - "bs": 14.0, - "a2": 109.905120807005, - "a5": 121.798922290254, - "sidechain_LEU": 52, + "ss": "E", + "a3": 112.481598077666, + "bs": 16.0, + "a2": 111.564382484254, + "a5": 122.521553429124, + "sidechain_LEU": null, "chainIndex": 63, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.230818035473 + "a4": 110.928983202351 } }, { "pk": 582, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.598231800661, - "psi": -51.1902162411286, + "chain": "1H0HB", + "sidechain_ASP": 34, + "a6": 116.738679739252, + "psi": 165.757006803149, "oldID": "64", - "bg": 0.0, + "bg": 18.2, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.3314269991633, + "zeta": 34.9642606964375, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98295,120 +86191,120 @@ "sidechain_TRP": null, "next": 583, "sidechain_SER": null, - "bm": 15.0, + "bm": 13.0, "xpr": false, "prev": 581, "terminal_flag": false, - "phi": -72.2247008896031, - "chainID": "A", + "phi": -141.986346909803, + "chainID": "B", "sidechain_GLN": null, - "ome": -172.493014422705, - "chi2": null, + "ome": 179.778939426956, + "chi2": -21.7817386792249, "chi3": null, - "chi1": null, + "chi1": -155.70781856483, "chi4": null, "chi5": null, - "a1": 120.189238973305, - "L4": 1.53488345913985, - "L5": 1.22514783527227, - "L2": 1.46411541956021, - "L3": 1.48854330775469, - "a7": 122.219539127951, - "L1": 1.32113974554397, + "a1": 122.759295576914, + "L4": 1.52480715774342, + "L5": 1.22483101790211, + "L2": 1.43754593124437, + "L3": 1.51861746134342, + "a7": 122.428526580083, + "L1": 1.31979656688868, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.441075709035, - "bs": 15.0, - "a2": 109.104994108765, - "a5": 122.165542083771, + "ss": "E", + "a3": 105.719856283503, + "bs": 18.0, + "a2": 110.22528190062, + "a5": 120.807358943888, "sidechain_LEU": null, "chainIndex": 64, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.562936279442 + "a4": 110.660166918924 } }, { "pk": 583, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.612773107259, - "psi": 72.943369747721, + "a6": 115.102550080507, + "psi": 112.354032406155, "oldID": "65", - "bg": 16.26, + "bg": 13.58, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.3060231499615, + "zeta": 35.492520684284, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, + "sidechain_TRP": 4, "next": 584, "sidechain_SER": null, - "bm": 16.0, + "bm": 13.0, "xpr": false, "prev": 582, "terminal_flag": false, - "phi": -87.6665040846531, - "chainID": "A", + "phi": -135.954309170138, + "chainID": "B", "sidechain_GLN": null, - "ome": -166.291135003055, - "chi2": -51.8568402946095, - "chi3": -35.7549684278121, - "chi1": -56.4982453218322, + "ome": -172.094612697523, + "chi2": -3.93544631044219, + "chi3": null, + "chi1": -155.374299660347, "chi4": null, "chi5": null, - "a1": 120.881125951961, - "L4": 1.54036369278199, - "L5": 1.22542026836989, - "L2": 1.44536895821154, - "L3": 1.53671914048948, - "a7": 122.58742490745, - "L1": 1.32205535370506, + "a1": 121.77101605752, + "L4": 1.51754463765363, + "L5": 1.23932711306045, + "L2": 1.44577762423316, + "L3": 1.52192701142407, + "a7": 124.023535995505, + "L1": 1.32144484578652, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 54, + "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.314372727073, - "bs": 18.0, - "a2": 107.861320086039, - "a5": 122.773533324516, + "ss": "E", + "a3": 106.130098765507, + "bs": 13.0, + "a2": 108.948065021778, + "a5": 120.871103811267, "sidechain_LEU": null, "chainIndex": 65, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.896034712524 + "a4": 111.035683240142 } }, { "pk": 584, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "l", "sidechain_PRO": null, - "sidechain_ASN": 20, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.005118227807, - "psi": 117.834976041386, + "a6": 114.971627320747, + "psi": 130.937265690279, "oldID": "66", - "bg": 15.52, + "bg": 16.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.8765369476542, + "zeta": 34.6280257364192, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98417,60 +86313,60 @@ "sidechain_TRP": null, "next": 585, "sidechain_SER": null, - "bm": 16.0, + "bm": 14.0, "xpr": false, "prev": 583, "terminal_flag": false, - "phi": -134.163331273067, - "chainID": "A", + "phi": -100.405719724332, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.643666166643, - "chi2": -51.0914424186653, + "ome": -175.557321332172, + "chi2": -177.397036099142, "chi3": null, - "chi1": -160.513937922669, + "chi1": -53.7377472246113, "chi4": null, "chi5": null, - "a1": 121.505117145238, - "L4": 1.51652927810977, - "L5": 1.24446090527403, - "L2": 1.45046681097714, - "L3": 1.51840292744422, - "a7": 123.910559805737, - "L1": 1.32471457212563, + "a1": 122.825567460538, + "L4": 1.49986566391166, + "L5": 1.22623248823846, + "L2": 1.45664410963501, + "L3": 1.53349609267388, + "a7": 124.149233102064, + "L1": 1.32481573498846, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.404470682411, - "bs": 15.0, - "a2": 106.693981521902, - "a5": 121.04410792263, - "sidechain_LEU": null, + "ss": "E", + "a3": 112.36605443972, + "bs": 16.0, + "a2": 110.878875423984, + "a5": 120.839466954643, + "sidechain_LEU": 50, "chainIndex": 66, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.410795660104 + "a4": 108.837213889666 } }, { "pk": 585, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.76221026523, - "psi": -11.6910594240468, + "a6": 115.807742800598, + "psi": 143.381239758614, "oldID": "67", - "bg": 22.26, + "bg": 13.94, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.0610778661518, - "sidechain_PHE": null, + "zeta": 35.1615695596503, + "sidechain_PHE": 27, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -98478,60 +86374,60 @@ "sidechain_TRP": null, "next": 586, "sidechain_SER": null, - "bm": 16.0, + "bm": 13.0, "xpr": false, "prev": 584, "terminal_flag": false, - "phi": -71.417170402318, - "chainID": "A", + "phi": -116.104613275063, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.678883587556, - "chi2": 52.8961610320183, - "chi3": 59.5464598715706, - "chi1": -148.377875720625, + "ome": -178.119619504853, + "chi2": -45.2327624328428, + "chi3": null, + "chi1": -52.0201840996095, "chi4": null, "chi5": null, - "a1": 121.781103692386, - "L4": 1.52137803696621, - "L5": 1.20686784063927, - "L2": 1.43954694598123, - "L3": 1.53485070424658, - "a7": 121.920155673779, - "L1": 1.32408639989327, + "a1": 122.545234607059, + "L4": 1.53560200416789, + "L5": 1.22283410201283, + "L2": 1.44549665039298, + "L3": 1.52713581966517, + "a7": 123.641161609191, + "L1": 1.32031605384411, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 55, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.914908093989, - "bs": 23.0, - "a2": 110.137410310657, - "a5": 120.289376527319, + "ss": "E", + "a3": 111.3926568663, + "bs": 14.0, + "a2": 109.315568285106, + "a5": 120.466028889375, "sidechain_LEU": null, "chainIndex": 67, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.890013214411 + "a4": 109.760168818604 } }, { "pk": 586, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.42530066701, - "psi": -8.18826260095777, + "a6": 117.651530998936, + "psi": 102.671398235429, "oldID": "68", - "bg": 20.92, + "bg": 15.11, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.8227404993557, - "sidechain_PHE": null, + "zeta": 36.5796598103432, + "sidechain_PHE": 28, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -98539,59 +86435,59 @@ "sidechain_TRP": null, "next": 587, "sidechain_SER": null, - "bm": 17.0, + "bm": 14.0, "xpr": false, "prev": 585, "terminal_flag": false, - "phi": -84.6999206442907, - "chainID": "A", - "sidechain_GLN": null, - "ome": 173.636757471061, - "chi2": -154.507594449582, - "chi3": 43.9938605311489, - "chi1": -58.5342302926054, - "chi4": 95.3433579655379, - "chi5": 0.215431526155525, - "a1": 119.74811910687, - "L4": 1.52359197011401, - "L5": 1.2275070962898, - "L2": 1.4632205984673, - "L3": 1.54017874473075, - "a7": 122.924506553945, - "L1": 1.32280601094658, - "sidechain_ARG": 26, + "phi": -144.41531219549, + "chainID": "B", + "sidechain_GLN": null, + "ome": -178.731236166504, + "chi2": 84.5995903255078, + "chi3": null, + "chi1": -160.062018978596, + "chi4": null, + "chi5": null, + "a1": 123.847784335748, + "L4": 1.53007633611452, + "L5": 1.23191129384056, + "L2": 1.46171456044234, + "L3": 1.53846744964615, + "a7": 121.606213573552, + "L1": 1.32624058742527, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.738523632405, - "bs": 24.0, - "a2": 111.054059644576, - "a5": 119.650056624922, + "ss": "E", + "a3": 109.241799080245, + "bs": 15.0, + "a2": 107.836588599455, + "a5": 120.734612562702, "sidechain_LEU": null, "chainIndex": 68, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.894920401263 + "a4": 109.781918672041 } }, { "pk": 587, "model": "pgd_core.residue", "fields": { - "aa": "r", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 34, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.187900141715, - "psi": 117.558962028424, + "a6": 114.337569195456, + "psi": 84.3334633044152, "oldID": "69", - "bg": 15.13, + "bg": 17.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.367215775668, + "zeta": 38.9563584576685, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98604,55 +86500,55 @@ "xpr": false, "prev": 586, "terminal_flag": false, - "phi": -69.2478838233368, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.700921694078, - "chi2": 172.216117873984, - "chi3": 65.3731327802394, - "chi1": -64.9135325218874, - "chi4": -175.227073972077, - "chi5": 0.509140297326972, - "a1": 120.455594338086, - "L4": 1.5384664810024, - "L5": 1.23405070360287, - "L2": 1.46733453739244, - "L3": 1.52030874259027, - "a7": 122.253055526174, - "L1": 1.33650061952967, - "sidechain_ARG": 27, + "phi": -82.5546201304993, + "chainID": "B", + "sidechain_GLN": null, + "ome": -169.801149341172, + "chi2": -9.72473022865522, + "chi3": -0.99093066507203, + "chi1": 16.2825422943705, + "chi4": 12.1273868848261, + "chi5": null, + "a1": 121.989239814982, + "L4": 1.5320719778608, + "L5": 1.23181226142473, + "L2": 1.47876003368143, + "L3": 1.53060879820219, + "a7": 123.938753485774, + "L1": 1.32575190994956, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.959280290532, - "bs": 14.0, - "a2": 110.657800288065, - "a5": 119.473275523478, + "omep": -0.810701564079552, + "ss": "E", + "a3": 109.356354101034, + "bs": 16.0, + "a2": 103.783422880084, + "a5": 121.656118880384, "sidechain_LEU": null, "chainIndex": 69, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.003440743763 + "a4": 109.90104369464 } }, { "pk": 588, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 32, + "aa": "d", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.518559155712, - "psi": 122.58584017315, + "chain": "1H0HB", + "sidechain_ASP": 35, + "a6": 115.599656027727, + "psi": 145.074218776335, "oldID": "70", - "bg": 15.82, + "bg": 16.43, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 38.4667805004804, + "zeta": 35.0789057042517, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98661,59 +86557,59 @@ "sidechain_TRP": null, "next": 589, "sidechain_SER": null, - "bm": 16.0, + "bm": 15.0, "xpr": false, "prev": 587, "terminal_flag": false, - "phi": -58.9939950840637, - "chainID": "A", + "phi": -72.7529102344449, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.720606490033, - "chi2": 38.4011241232564, - "chi3": -35.6093764996044, - "chi1": -26.028855450925, - "chi4": 20.2316225869199, + "ome": 176.905998857328, + "chi2": -3.24091505677058, + "chi3": null, + "chi1": -154.238883633844, + "chi4": null, "chi5": null, - "a1": 120.101827295389, - "L4": 1.52358205776726, - "L5": 1.22921677494029, - "L2": 1.46253670957265, - "L3": 1.54231465012856, - "a7": 123.354689434407, - "L1": 1.34028092770303, + "a1": 124.388131815292, + "L4": 1.53087668427717, + "L5": 1.22708161974917, + "L2": 1.44609472864242, + "L3": 1.53071035605653, + "a7": 123.205200366471, + "L1": 1.32735035040802, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -3.28899786925166, - "ss": "-", - "a3": 108.906203766108, - "bs": 15.0, - "a2": 103.884790682339, - "a5": 120.125674283371, + "omep": null, + "ss": "E", + "a3": 113.245990752808, + "bs": 16.0, + "a2": 107.020247439873, + "a5": 121.102070713855, "sidechain_LEU": null, "chainIndex": 70, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.974547938041 + "a4": 111.684370954758 } }, { "pk": 589, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.607603719193, - "psi": -28.7921275235633, + "a6": 116.26723355202, + "psi": 169.167661707429, "oldID": "71", - "bg": 0.0, + "bg": 17.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.8080825250473, + "zeta": 35.2070695645205, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98722,59 +86618,59 @@ "sidechain_TRP": null, "next": 590, "sidechain_SER": null, - "bm": 17.0, + "bm": 15.0, "xpr": false, "prev": 588, "terminal_flag": false, - "phi": -66.7080323284731, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.569415623366, - "chi2": null, - "chi3": null, - "chi1": null, + "phi": -167.250730806101, + "chainID": "B", + "sidechain_GLN": 29, + "ome": 175.983151066969, + "chi2": 177.449155702652, + "chi3": 102.374457114266, + "chi1": 63.5421810577599, "chi4": null, "chi5": null, - "a1": 122.023234279504, - "L4": 1.51954752831215, - "L5": 1.23398252863726, - "L2": 1.46575565919595, - "L3": 1.56486456934765, - "a7": 122.859185278245, - "L1": 1.32906219364927, + "a1": 124.084472359928, + "L4": 1.53909067489415, + "L5": 1.23073192015935, + "L2": 1.4489306258623, + "L3": 1.53871742666546, + "a7": 123.031422948601, + "L1": 1.32320605836625, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.366163874171, + "ss": "-", + "a3": 105.549236915615, "bs": 18.0, - "a2": 110.08533534221, - "a5": 120.533124503849, + "a2": 111.256379832951, + "a5": 120.664023554575, "sidechain_LEU": null, "chainIndex": 71, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.925264753358 + "a4": 109.356673903138 } }, { "pk": 590, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "c", "sidechain_PRO": null, - "sidechain_ASN": 21, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.222148657888, - "psi": 154.484546220244, + "a6": 117.560333950342, + "psi": 142.91847507024, "oldID": "72", - "bg": 22.34, - "sidechain_CYS": null, + "bg": 16.46, + "sidechain_CYS": 9, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.4521208335411, + "zeta": 35.754178264722, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98783,59 +86679,59 @@ "sidechain_TRP": null, "next": 591, "sidechain_SER": null, - "bm": 17.0, + "bm": 15.0, "xpr": false, "prev": 589, "terminal_flag": false, - "phi": -132.799587242425, - "chainID": "A", + "phi": -51.6049248420438, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.161215488904, - "chi2": -64.8274931218082, + "ome": -178.207482916429, + "chi2": null, "chi3": null, - "chi1": -66.0491984771286, + "chi1": 169.379285212326, "chi4": null, "chi5": null, - "a1": 121.255327878382, - "L4": 1.52008265995311, - "L5": 1.23257818375032, - "L2": 1.45208071718837, - "L3": 1.53135114281132, - "a7": 123.068062907255, - "L1": 1.32785232446833, + "a1": 122.185542036459, + "L4": 1.53678285519568, + "L5": 1.22959482123329, + "L2": 1.46202921377973, + "L3": 1.51670318571534, + "a7": 122.321262973988, + "L1": 1.32931968239869, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.564119510303, - "bs": 22.0, - "a2": 108.727812886511, - "a5": 119.708562680529, + "ss": "-", + "a3": 110.198712386919, + "bs": 15.0, + "a2": 109.535375645784, + "a5": 120.086062162938, "sidechain_LEU": null, "chainIndex": 72, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.301423079035 + "a4": 108.740198848245 } }, { "pk": 591, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 33, + "aa": "r", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.462329887097, - "psi": 148.452147037235, + "a6": 116.439904821248, + "psi": -7.02755505416337, "oldID": "73", - "bg": 16.86, + "bg": 15.25, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 38.3973106916477, + "zeta": 36.1265676777536, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98844,59 +86740,59 @@ "sidechain_TRP": null, "next": 592, "sidechain_SER": null, - "bm": 16.0, + "bm": 15.0, "xpr": false, "prev": 590, "terminal_flag": false, - "phi": -56.1383774792931, - "chainID": "A", + "phi": -86.8286991550556, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.620681879437, - "chi2": 30.5185547021368, - "chi3": -27.0427256033057, - "chi1": -21.338724782915, - "chi4": 13.5983649241813, - "chi5": null, - "a1": 121.103432388227, - "L4": 1.52493003393566, - "L5": 1.25146980676615, - "L2": 1.46792566767171, - "L3": 1.53434305281915, - "a7": 123.571145328394, - "L1": 1.32856096039321, - "sidechain_ARG": null, + "ome": -174.528278484648, + "chi2": -64.4140162879835, + "chi3": -164.19701951351, + "chi1": -53.8490721580003, + "chi4": -82.6628600307615, + "chi5": -0.108013958849983, + "a1": 120.793207692391, + "L4": 1.5232580417314, + "L5": 1.20775576786232, + "L2": 1.46933526738826, + "L3": 1.52094914555621, + "a7": 123.624066605223, + "L1": 1.32629514986477, + "sidechain_ARG": 29, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -2.53458997397364, + "omep": null, "ss": "-", - "a3": 110.664150079012, - "bs": 16.0, - "a2": 104.003097818313, - "a5": 121.958310936603, + "a3": 113.488734791355, + "bs": 13.0, + "a2": 110.077686409309, + "a5": 119.861201657091, "sidechain_LEU": null, "chainIndex": 73, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.501515407444 + "a4": 106.879819110895 } }, { "pk": 592, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.932225907376, - "psi": 133.535932387082, + "a6": 113.225265671259, + "psi": 56.4573934445749, "oldID": "74", - "bg": 17.93, + "bg": 15.88, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1310892310995, + "zeta": 30.5043187092991, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98909,55 +86805,55 @@ "xpr": false, "prev": 591, "terminal_flag": false, - "phi": -127.376819500354, - "chainID": "A", + "phi": 48.5710177150223, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.028854903603, - "chi2": 162.883478736277, + "ome": 178.336275836376, + "chi2": null, "chi3": null, - "chi1": -60.1154301923461, + "chi1": -67.8043201058343, "chi4": null, "chi5": null, - "a1": 122.305414578803, - "L4": 1.51044184821625, - "L5": 1.23280398037501, - "L2": 1.44818247103719, - "L3": 1.52737486893152, - "a7": 123.930931591918, - "L1": 1.32795373957631, + "a1": 122.317578191333, + "L4": 1.52399482922964, + "L5": 1.2396723009937, + "L2": 1.45446085157911, + "L3": 1.5277471633061, + "a7": 124.489039223122, + "L1": 1.3255416502336, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.082607754405, - "bs": 17.0, - "a2": 111.138841183415, - "a5": 121.127358555175, - "sidechain_LEU": 53, + "ss": "-", + "a3": 110.671578001847, + "bs": 16.0, + "a2": 110.867928042686, + "a5": 122.240602387437, + "sidechain_LEU": null, "chainIndex": 74, - "sidechain_HIS": null, + "sidechain_HIS": 29, "h_bond_energy": 0.0, - "a4": 108.731421243326 + "a4": 114.925499458911 } }, { "pk": 593, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.385411797393, - "psi": 136.607356515577, + "a6": 115.89790130676, + "psi": 135.147925490599, "oldID": "75", - "bg": 16.07, - "sidechain_CYS": null, + "bg": 17.66, + "sidechain_CYS": 10, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.5711319472129, + "zeta": 35.1249219906952, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -98966,59 +86862,59 @@ "sidechain_TRP": null, "next": 594, "sidechain_SER": null, - "bm": 16.0, + "bm": 15.0, "xpr": false, "prev": 592, "terminal_flag": false, - "phi": -119.779035915162, - "chainID": "A", + "phi": -43.5707864756603, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.205352633556, - "chi2": 74.5820948606658, + "ome": -179.538176871494, + "chi2": null, "chi3": null, - "chi1": 169.497383470879, + "chi1": -64.9448535480498, "chi4": null, "chi5": null, - "a1": 121.479986872329, - "L4": 1.52022082450173, - "L5": 1.24659476982786, - "L2": 1.44634044971832, - "L3": 1.52618583765698, - "a7": 122.989857617909, - "L1": 1.32449585254236, + "a1": 123.646223840271, + "L4": 1.51429738717816, + "L5": 1.24057667009983, + "L2": 1.46476366274921, + "L3": 1.52491418067501, + "a7": 122.804169458616, + "L1": 1.33098115554962, "sidechain_ARG": null, - "sidechain_TYR": 18, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.943274655414, + "ss": "-", + "a3": 112.932217947247, "bs": 16.0, - "a2": 109.355527356445, - "a5": 121.587362564234, + "a2": 109.365472046151, + "a5": 121.29753987034, "sidechain_LEU": null, "chainIndex": 75, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.05972836371 + "a4": 109.278611146484 } }, { "pk": 594, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.009573522566, - "psi": 119.081140729356, + "a6": 115.521232273206, + "psi": -39.034806602544, "oldID": "76", - "bg": 15.23, + "bg": 17.98, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 30, "protein": "1H0H", - "zeta": 34.3677784828315, + "zeta": 33.9720848411488, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99031,36 +86927,36 @@ "xpr": false, "prev": 593, "terminal_flag": false, - "phi": -119.944690036208, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.69261920152, - "chi2": -107.579164479884, - "chi3": 175.877603289601, - "chi1": -177.637210841218, - "chi4": -171.902090813276, - "chi5": -2.24472935281855, - "a1": 120.283175181679, - "L4": 1.5111119361922, - "L5": 1.23544308678292, - "L2": 1.44778029328355, - "L3": 1.52815291239949, - "a7": 123.604308218596, - "L1": 1.32243316922427, - "sidechain_ARG": 28, + "phi": -60.1069994482621, + "chainID": "B", + "sidechain_GLN": null, + "ome": 178.251980648184, + "chi2": 166.079580131576, + "chi3": null, + "chi1": -69.895036714028, + "chi4": null, + "chi5": null, + "a1": 120.711309827083, + "L4": 1.53042747143281, + "L5": 1.23752118693469, + "L2": 1.44860998082895, + "L3": 1.53399022213897, + "a7": 123.010013791408, + "L1": 1.33059823121991, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.606641487464, - "bs": 15.0, - "a2": 112.101538308137, - "a5": 120.374240470774, + "ss": "S", + "a3": 110.850118025023, + "bs": 18.0, + "a2": 108.827632845883, + "a5": 121.461010552148, "sidechain_LEU": null, "chainIndex": 76, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.603629871878 + "a4": 112.186171827068 } }, { @@ -99070,16 +86966,16 @@ "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.343656676127, - "psi": 158.843993226439, + "a6": 116.226331551969, + "psi": 82.5768356768848, "oldID": "77", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.4539585804335, + "zeta": 35.6611031948219, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99088,40 +86984,40 @@ "sidechain_TRP": null, "next": 596, "sidechain_SER": null, - "bm": 16.0, + "bm": 15.0, "xpr": false, "prev": 594, "terminal_flag": false, - "phi": -80.8754933528955, - "chainID": "A", + "phi": -124.840758799762, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.668121656793, + "ome": -169.471042324188, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.444212896603, - "L4": 1.52556412356837, - "L5": 1.22755197137208, - "L2": 1.44995784964854, - "L3": 1.54612779059297, - "a7": 122.107193186393, - "L1": 1.32647521997833, + "a1": 122.908929744259, + "L4": 1.5172420892139, + "L5": 1.21951690595197, + "L2": 1.45725052991937, + "L3": 1.51821108394093, + "a7": 123.165448860913, + "L1": 1.32653594639601, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.370744570107, - "bs": 17.0, - "a2": 109.408328287492, - "a5": 120.368275486922, + "ss": "S", + "a3": 105.162317267302, + "bs": 15.0, + "a2": 109.854611382493, + "a5": 120.601330763364, "sidechain_LEU": null, "chainIndex": 77, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.511330808045 + "a4": 109.924060727563 } }, { @@ -99129,18 +87025,18 @@ "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 34, + "sidechain_PRO": 35, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.806114516401, - "psi": 130.833453718499, + "a6": 117.076497820782, + "psi": 113.386018626269, "oldID": "78", - "bg": 18.53, + "bg": 15.62, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 38.7481593678302, + "zeta": 38.1084720681732, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99149,59 +87045,59 @@ "sidechain_TRP": null, "next": 597, "sidechain_SER": null, - "bm": 18.0, + "bm": 15.0, "xpr": false, "prev": 595, "terminal_flag": false, - "phi": -50.390268071109, - "chainID": "A", + "phi": -68.0801334879487, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.96194912373, - "chi2": 36.2448620365069, - "chi3": -30.4533206024614, - "chi1": -27.2945618034229, - "chi4": 13.4075140605515, + "ome": 178.81144722046, + "chi2": -32.3890395031696, + "chi3": 26.780172990612, + "chi1": 24.2382407502331, + "chi4": -11.3795607882878, "chi5": null, - "a1": 120.054588648501, - "L4": 1.52549408922546, - "L5": 1.24628220537478, - "L2": 1.46514919057433, - "L3": 1.53293914690197, - "a7": 122.888519524803, - "L1": 1.32736958697307, + "a1": 122.088984103662, + "L4": 1.51749240444275, + "L5": 1.22699147141108, + "L2": 1.47210553993363, + "L3": 1.5383692610136, + "a7": 122.799424079897, + "L1": 1.32538039048782, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -0.057308391920181, - "ss": "T", - "a3": 110.37189986074, - "bs": 18.0, - "a2": 103.254784045471, - "a5": 120.285225531043, + "omep": 8.78005404554885, + "ss": "-", + "a3": 116.453187568846, + "bs": 15.0, + "a2": 103.018716438554, + "a5": 120.123057002331, "sidechain_LEU": null, "chainIndex": 78, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.758592970825 + "a4": 110.717105212322 } }, { "pk": 597, "model": "pgd_core.residue", "fields": { - "aa": "g", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 36, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.444343045687, - "psi": 0.511351597122619, + "a6": 119.388696811884, + "psi": -28.8800110759026, "oldID": "79", - "bg": 0.0, + "bg": 16.23, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 37.4108305573327, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99210,59 +87106,59 @@ "sidechain_TRP": null, "next": 598, "sidechain_SER": null, - "bm": 18.0, + "bm": 15.0, "xpr": false, "prev": 596, "terminal_flag": false, - "phi": 73.6692568312147, - "chainID": "A", + "phi": -66.9286865125054, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.187492360772, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 177.157371061091, + "chi2": -12.5549469953404, + "chi3": 8.18039526566853, + "chi1": 11.6130957717736, + "chi4": -0.398751071312626, "chi5": null, - "a1": 121.070648391969, - "L4": 1.52115284268368, - "L5": 1.22193135800987, - "L2": 1.46360930404741, - "L3": null, - "a7": 121.579309696863, - "L1": 1.33324738485937, + "a1": 120.966611654965, + "L4": 1.53204498993379, + "L5": 1.21739432743847, + "L2": 1.46152361244118, + "L3": 1.5346114505288, + "a7": 122.819503040241, + "L1": 1.32563438550495, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 117.665956249468, - "bs": 0.0, - "a2": null, - "a5": 120.950349195444, + "omep": -2.12432617974042, + "ss": "H", + "a3": 112.949682619285, + "bs": 15.0, + "a2": 104.380509892314, + "a5": 117.789331139404, "sidechain_LEU": null, "chainIndex": 79, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 111.093091065447 } }, { "pk": 598, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.051182687815, - "psi": 148.865425400576, + "a6": 116.180925940015, + "psi": -49.3733485004449, "oldID": "80", - "bg": 23.49, - "sidechain_CYS": null, + "bg": 17.21, + "sidechain_CYS": 11, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.720405109983, + "zeta": 34.1696912486998, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99270,121 +87166,121 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 599, - "sidechain_SER": 23, - "bm": 18.0, + "sidechain_SER": null, + "bm": 15.0, "xpr": false, "prev": 597, "terminal_flag": false, - "phi": -85.3991962932733, - "chainID": "A", + "phi": -59.2162499707222, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.78863047682, + "ome": 177.317093360066, "chi2": null, "chi3": null, - "chi1": 163.577021117155, + "chi1": 55.2094031938232, "chi4": null, "chi5": null, - "a1": 120.235103494917, - "L4": 1.53394729653434, - "L5": 1.22234208099448, - "L2": 1.45782151947567, - "L3": 1.53873178287744, - "a7": 121.726514276196, - "L1": 1.31859282336255, + "a1": 119.716153466188, + "L4": 1.51148297972578, + "L5": 1.23721621395971, + "L2": 1.46198262756851, + "L3": 1.52103364331623, + "a7": 123.209952151394, + "L1": 1.32176046885347, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.436649062892, - "bs": 22.0, - "a2": 108.66975117896, - "a5": 120.204555583194, + "ss": "H", + "a3": 109.725890218732, + "bs": 16.0, + "a2": 110.875007989937, + "a5": 120.602258184378, "sidechain_LEU": null, "chainIndex": 80, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.145280707771 + "a4": 110.061638492927 } }, { "pk": 599, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 35, - "a6": 117.144358990436, - "psi": 10.1561549508114, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 116.24705652866, + "psi": -40.6585061130525, "oldID": "81", - "bg": 24.47, + "bg": 13.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.0986754590461, + "zeta": 34.4602571335968, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 30, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 600, "sidechain_SER": null, - "bm": 19.0, + "bm": 14.0, "xpr": false, "prev": 598, "terminal_flag": false, - "phi": -100.448445930091, - "chainID": "A", + "phi": -65.0697028022963, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.7533018253, - "chi2": 10.5736717789224, - "chi3": null, - "chi1": 63.6554812546867, - "chi4": null, + "ome": -178.664459753811, + "chi2": 172.668496753174, + "chi3": 160.707812031036, + "chi1": -176.485220964073, + "chi4": 56.824637492063, "chi5": null, - "a1": 120.190092630035, - "L4": 1.535396401601, - "L5": 1.2375879621475, - "L2": 1.47722419786245, - "L3": 1.53980202382836, - "a7": 122.342504694444, - "L1": 1.33399837312211, + "a1": 120.564636714432, + "L4": 1.51710405243143, + "L5": 1.24354767017878, + "L2": 1.47201449286088, + "L3": 1.51768447772287, + "a7": 122.351245038661, + "L1": 1.33207015221689, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.19319294479, - "bs": 24.0, - "a2": 113.493524255201, - "a5": 120.500807963598, + "ss": "H", + "a3": 113.260092091742, + "bs": 15.0, + "a2": 111.822568680004, + "a5": 121.359821503205, "sidechain_LEU": null, "chainIndex": 81, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.954683269834 + "a4": 107.449456183242 } }, { "pk": 600, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.164857491847, - "psi": 151.450227899055, + "a6": 115.658847531555, + "psi": -38.15125766907, "oldID": "82", - "bg": 24.71, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.6644429640139, + "zeta": 33.8761396960272, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99393,120 +87289,120 @@ "sidechain_TRP": null, "next": 601, "sidechain_SER": null, - "bm": 20.0, + "bm": 14.0, "xpr": false, "prev": 599, "terminal_flag": false, - "phi": -145.590217776159, - "chainID": "A", - "sidechain_GLN": 27, - "ome": 174.264345180896, - "chi2": -165.611625050487, - "chi3": 18.9395954566415, - "chi1": 54.7434873685561, + "phi": -55.3700290883459, + "chainID": "B", + "sidechain_GLN": null, + "ome": 179.586419824781, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.107582506233, - "L4": 1.51066254107311, - "L5": 1.21910894747039, - "L2": 1.46223104331329, - "L3": 1.53879443626602, - "a7": 123.45953461508, - "L1": 1.32799107729154, + "a1": 119.875420915188, + "L4": 1.53649700519469, + "L5": 1.2208164280866, + "L2": 1.45161033144314, + "L3": 1.5228350130211, + "a7": 123.263135263024, + "L1": 1.3250027935042, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.84559135465, - "bs": 25.0, - "a2": 110.210845444064, - "a5": 120.375268002746, + "ss": "H", + "a3": 110.560582112302, + "bs": 16.0, + "a2": 109.945940091252, + "a5": 121.073425674337, "sidechain_LEU": null, "chainIndex": 82, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.276980945096 + "a4": 111.113286570307 } }, { "pk": 601, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.455138873158, - "psi": 155.450724742709, + "a6": 115.036579803138, + "psi": -49.8333673792555, "oldID": "83", - "bg": 16.94, + "bg": 10.53, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 37.6668765608831, + "zeta": 36.4840063627252, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 4, + "sidechain_THR": 26, + "sidechain_TRP": null, "next": 602, "sidechain_SER": null, - "bm": 18.0, + "bm": 12.0, "xpr": false, "prev": 600, "terminal_flag": false, - "phi": -72.0981797653522, - "chainID": "A", + "phi": -74.0034022387957, + "chainID": "B", "sidechain_GLN": null, - "ome": 172.466344922668, - "chi2": 120.378626798418, + "ome": 179.960061024637, + "chi2": null, "chi3": null, - "chi1": -73.6269525775832, + "chi1": -68.3345000342623, "chi4": null, "chi5": null, - "a1": 121.45688944103, - "L4": 1.53039281264208, - "L5": 1.23802655738025, - "L2": 1.4574954015026, - "L3": 1.51984704217852, - "a7": 122.792534650491, - "L1": 1.32685582424366, + "a1": 123.50322410565, + "L4": 1.51897163064393, + "L5": 1.22311928077842, + "L2": 1.46311155957772, + "L3": 1.52659961057803, + "a7": 122.997028774408, + "L1": 1.32716615627994, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.588690720403, - "bs": 16.0, - "a2": 110.47404015606, - "a5": 121.732644715283, + "ss": "H", + "a3": 111.024194007775, + "bs": 10.0, + "a2": 108.331143059927, + "a5": 121.963108941096, "sidechain_LEU": null, "chainIndex": 83, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.47466292932 + "a4": 108.914091049738 } }, { "pk": 602, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 119.442699934417, - "psi": 129.728040286272, + "a6": 116.804230002197, + "psi": -35.4531385401787, "oldID": "84", - "bg": 25.76, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.6055169583587, + "zeta": 33.8813716772159, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99515,59 +87411,59 @@ "sidechain_TRP": null, "next": 603, "sidechain_SER": null, - "bm": 19.0, + "bm": 14.0, "xpr": false, "prev": 601, "terminal_flag": false, - "phi": -127.541879043467, - "chainID": "A", + "phi": -59.7870542343102, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.817768483518, - "chi2": 176.379002137565, - "chi3": -0.627510931910297, - "chi1": 176.62525783425, + "ome": 179.200538775333, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.812724988422, - "L4": 1.52487855762559, - "L5": 1.21559014080622, - "L2": 1.45117115902711, - "L3": 1.52717780758524, - "a7": 121.276384923027, - "L1": 1.31824292161988, + "a1": 121.196976624267, + "L4": 1.51630484341823, + "L5": 1.22969040398883, + "L2": 1.45363029592572, + "L3": 1.53742141281208, + "a7": 123.851777134924, + "L1": 1.32035662590522, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 56, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.612761607043, - "bs": 26.0, - "a2": 108.137689713896, - "a5": 119.277505861861, + "ss": "H", + "a3": 112.313354068212, + "bs": 14.0, + "a2": 109.735260590584, + "a5": 119.34194178408, "sidechain_LEU": null, "chainIndex": 84, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.960080739999 + "a4": 111.005932534114 } }, { "pk": 603, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.042756343104, - "psi": 141.191782889679, + "chain": "1H0HB", + "sidechain_ASP": 36, + "a6": 117.11392295977, + "psi": -24.5223436517143, "oldID": "85", - "bg": 25.43, + "bg": 15.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.9037185768817, + "zeta": 34.383152303879, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99576,120 +87472,120 @@ "sidechain_TRP": null, "next": 604, "sidechain_SER": null, - "bm": 18.0, + "bm": 14.0, "xpr": false, "prev": 602, "terminal_flag": false, - "phi": -73.2303117180158, - "chainID": "A", + "phi": -58.5766370042724, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.42230080007, - "chi2": -170.874370843927, - "chi3": -20.2156005611461, - "chi1": -76.463176102994, + "ome": 177.582706246243, + "chi2": -5.03450560850863, + "chi3": null, + "chi1": -81.4627152428003, "chi4": null, "chi5": null, - "a1": 118.751063982826, - "L4": 1.53436047278406, - "L5": 1.22518803798497, - "L2": 1.47108449959091, - "L3": 1.53547244185621, - "a7": 122.619316970401, - "L1": 1.33129770816037, + "a1": 124.20569896359, + "L4": 1.55079768806488, + "L5": 1.23181432329473, + "L2": 1.46931119782018, + "L3": 1.52655696799875, + "a7": 121.181112152114, + "L1": 1.34047754187946, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 57, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.166813814394, - "bs": 26.0, - "a2": 111.990281637594, - "a5": 120.337915513542, + "ss": "T", + "a3": 113.165443143494, + "bs": 16.0, + "a2": 110.036588744, + "a5": 121.70382900958, "sidechain_LEU": null, "chainIndex": 85, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.467013273317 + "a4": 109.339027121983 } }, { "pk": 604, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.557767513305, - "psi": 160.5672952141, + "a6": 115.869644934231, + "psi": -18.0090083148383, "oldID": "86", - "bg": 18.02, + "bg": 22.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.5109296062096, + "zeta": 35.524123685941, "sidechain_PHE": null, - "sidechain_LYS": 32, + "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 13, "sidechain_THR": null, "sidechain_TRP": null, "next": 605, "sidechain_SER": null, - "bm": 18.0, + "bm": 17.0, "xpr": false, "prev": 603, "terminal_flag": false, - "phi": -136.613059254376, - "chainID": "A", + "phi": -67.8094317636767, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.106673528887, - "chi2": -62.609001770155, - "chi3": -146.24023596244, - "chi1": -68.9141327220453, - "chi4": 176.654402579265, + "ome": 179.67129833925, + "chi2": -70.2443685137574, + "chi3": -165.339711410185, + "chi1": -57.2104623682515, + "chi4": null, "chi5": null, - "a1": 122.227332899184, - "L4": 1.52597324686354, - "L5": 1.24924731290886, - "L2": 1.46637250138462, - "L3": 1.53846398604355, - "a7": 123.382188328552, - "L1": 1.32791199857965, + "a1": 119.943143283951, + "L4": 1.51467495719962, + "L5": 1.22361126075542, + "L2": 1.4635786473421, + "L3": 1.51398781590498, + "a7": 123.881991984321, + "L1": 1.32412669881383, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.271481032593, - "bs": 19.0, - "a2": 111.498891725269, - "a5": 120.025595813848, + "ss": "T", + "a3": 111.327698439246, + "bs": 23.0, + "a2": 110.492793853555, + "a5": 120.206913195922, "sidechain_LEU": null, "chainIndex": 86, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.911180248861 + "a4": 107.900684959152 } }, { "pk": 605, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.127442834991, - "psi": 157.175398741882, + "a6": 115.851317376516, + "psi": -47.3420415015063, "oldID": "87", - "bg": 15.52, + "bg": 23.82, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.4844360769366, + "zeta": 35.7827260422187, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99697,121 +87593,121 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 606, - "sidechain_SER": 24, - "bm": 16.0, + "sidechain_SER": null, + "bm": 18.0, "xpr": false, "prev": 604, "terminal_flag": false, - "phi": -74.5113549341121, - "chainID": "A", + "phi": -108.290240534317, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.445693628221, - "chi2": null, - "chi3": null, - "chi1": 74.557610352203, + "ome": -173.479116427501, + "chi2": -178.767063904019, + "chi3": -44.8548023008548, + "chi1": -147.870865638367, "chi4": null, "chi5": null, - "a1": 121.556402577267, - "L4": 1.53278457628493, - "L5": 1.22331070179278, - "L2": 1.4612620553863, - "L3": 1.528352410108, - "a7": 121.94255245795, - "L1": 1.33647755140142, + "a1": 122.700874130263, + "L4": 1.54362514782425, + "L5": 1.22616596137811, + "L2": 1.45316240515803, + "L3": 1.52722052667765, + "a7": 122.767597164066, + "L1": 1.32768305490061, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 55, "omep": null, - "ss": "-", - "a3": 110.932693506792, - "bs": 16.0, - "a2": 110.727285626381, - "a5": 121.926440265992, + "ss": "T", + "a3": 112.170188341289, + "bs": 24.0, + "a2": 108.784701750604, + "a5": 121.380141091426, "sidechain_LEU": null, "chainIndex": 87, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.358531978719 + "a4": 109.100309771932 } }, { "pk": 606, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.293852053684, - "psi": -35.2351647971296, + "chain": "1H0HB", + "sidechain_ASP": 37, + "a6": 116.815527974601, + "psi": 110.970861015854, "oldID": "88", - "bg": 16.09, + "bg": 23.02, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.6853589473603, + "zeta": 35.326298741533, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 5, + "sidechain_TRP": null, "next": 607, "sidechain_SER": null, - "bm": 16.0, + "bm": 17.0, "xpr": false, "prev": 605, "terminal_flag": false, - "phi": -62.387187334636, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.407062275135, - "chi2": 110.990699573119, + "phi": -158.980012519507, + "chainID": "B", + "sidechain_GLN": null, + "ome": -177.343624462961, + "chi2": -3.61213539152172, "chi3": null, - "chi1": -85.5643805704716, + "chi1": 179.003824206109, "chi4": null, "chi5": null, - "a1": 120.076724962723, - "L4": 1.50705935423573, - "L5": 1.21878517569163, - "L2": 1.45121363691514, - "L3": 1.51612334714841, - "a7": 122.853955025513, - "L1": 1.32062337723897, + "a1": 122.743311611903, + "L4": 1.52532410013244, + "L5": 1.21677773819358, + "L2": 1.46259148109452, + "L3": 1.52949073391275, + "a7": 122.740625816937, + "L1": 1.32525748155846, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.542797259612, - "bs": 16.0, - "a2": 110.567142029026, - "a5": 119.831486704519, + "ss": "-", + "a3": 109.170642524634, + "bs": 23.0, + "a2": 108.629713527943, + "a5": 120.437179344773, "sidechain_LEU": null, "chainIndex": 88, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.706572664357 + "a4": 110.785890815839 } }, { "pk": 607, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 36, - "a6": 115.869602805406, - "psi": -43.1038916934924, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 116.89980971171, + "psi": -9.70055987847194, "oldID": "89", - "bg": 24.88, + "bg": 23.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.0592931195914, + "zeta": 32.6864517708607, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -99820,181 +87716,181 @@ "sidechain_TRP": null, "next": 608, "sidechain_SER": null, - "bm": 16.0, + "bm": 18.0, "xpr": false, "prev": 606, "terminal_flag": false, - "phi": -68.6744687285552, - "chainID": "A", + "phi": -73.1170734397633, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.350957368256, - "chi2": -25.5942392798158, - "chi3": null, - "chi1": -85.102443626675, + "ome": 179.855175252097, + "chi2": -169.977812852976, + "chi3": -52.7468885210301, + "chi1": -55.6119028577815, "chi4": null, "chi5": null, - "a1": 118.838487114809, - "L4": 1.50439036562796, - "L5": 1.23169865177683, - "L2": 1.46469610786985, - "L3": 1.52121163312709, - "a7": 124.066765424759, - "L1": 1.32763560762253, + "a1": 120.785879899986, + "L4": 1.52836068538927, + "L5": 1.23695391983846, + "L2": 1.45747795392007, + "L3": 1.53182741059536, + "a7": 122.333616791739, + "L1": 1.32906181277892, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 56, "omep": null, - "ss": "H", - "a3": 112.363680960207, + "ss": "T", + "a3": 112.778455185711, "bs": 25.0, - "a2": 112.201078918078, - "a5": 120.039888454929, + "a2": 110.896988771061, + "a5": 120.71565843899, "sidechain_LEU": null, "chainIndex": 89, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.795456221546 + "a4": 111.143476424552 } }, { "pk": 608, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.164089562752, - "psi": -46.2372080172727, + "a6": 117.113288320474, + "psi": -3.45002282616327, "oldID": "90", - "bg": 17.13, + "bg": 19.94, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9959763092369, + "zeta": 34.2931530347334, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 6, + "sidechain_TRP": null, "next": 609, - "sidechain_SER": null, - "bm": 15.0, + "sidechain_SER": 20, + "bm": 18.0, "xpr": false, "prev": 607, "terminal_flag": false, - "phi": -58.398239564876, - "chainID": "A", + "phi": -96.0246519401792, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.635691679228, - "chi2": 89.5533439059841, + "ome": -179.977393238158, + "chi2": null, "chi3": null, - "chi1": -169.154729250662, + "chi1": 74.0531702859139, "chi4": null, "chi5": null, - "a1": 121.775916196799, - "L4": 1.52114190060316, - "L5": 1.22136137814696, - "L2": 1.44984336930489, - "L3": 1.53469143985301, - "a7": 123.013044004458, - "L1": 1.33272236452305, + "a1": 120.050692607195, + "L4": 1.53229850855835, + "L5": 1.23323740806068, + "L2": 1.46106963624938, + "L3": 1.52951707418582, + "a7": 122.05255934091, + "L1": 1.32926639692771, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.760487353091, - "bs": 16.0, - "a2": 111.663687641058, - "a5": 120.809759502385, + "ss": "T", + "a3": 113.244820940703, + "bs": 19.0, + "a2": 109.701191771772, + "a5": 120.83241570978, "sidechain_LEU": null, "chainIndex": 90, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.218287145693 + "a4": 109.956260066855 } }, { "pk": 609, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.484981257669, - "psi": -49.9448868804167, + "a6": 116.067095052438, + "psi": -49.2546595550457, "oldID": "91", - "bg": 14.23, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.8581985245462, + "zeta": 34.3546063926048, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 13, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 610, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 608, "terminal_flag": false, - "phi": -66.4179244320269, - "chainID": "A", + "phi": -66.1042384682951, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.082208685366, - "chi2": -74.3819383295525, - "chi3": -83.3854397434838, - "chi1": -63.0296490806726, + "ome": 178.430114424702, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.840816304493, - "L4": 1.5161730807872, - "L5": 1.22201878293267, - "L2": 1.45772781031615, - "L3": 1.52978070330076, - "a7": 123.042528077897, - "L1": 1.3274596641721, + "a1": 121.319799336869, + "L4": 1.52916597655913, + "L5": 1.21862814578576, + "L2": 1.46238745611718, + "L3": 1.52346841383567, + "a7": 123.068327201121, + "L1": 1.32816502857921, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.334423267288, + "ss": "S", + "a3": 112.750409105011, "bs": 15.0, - "a2": 111.290256376388, - "a5": 120.437030238358, + "a2": 110.090034905437, + "a5": 120.813827575264, "sidechain_LEU": null, "chainIndex": 91, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.684429315021 + "a4": 109.580169790554 } }, { "pk": 610, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.617276995662, - "psi": -42.7680931153343, + "a6": 116.852585138218, + "psi": 116.999742156758, "oldID": "92", - "bg": 16.69, + "bg": 15.68, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 31, "protein": "1H0H", - "zeta": 34.1060163688605, + "zeta": 35.0458032899045, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -100003,59 +87899,59 @@ "sidechain_TRP": null, "next": 611, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 609, "terminal_flag": false, - "phi": -61.8197830118737, - "chainID": "A", + "phi": -118.345023095853, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.241292055529, - "chi2": 171.602125379013, + "ome": 177.938100968958, + "chi2": 165.976832962216, "chi3": null, - "chi1": -61.9778630060314, + "chi1": -63.8327832578456, "chi4": null, "chi5": null, - "a1": 121.267111470006, - "L4": 1.51788580262148, - "L5": 1.22755767482944, - "L2": 1.4596487125973, - "L3": 1.5244204888658, - "a7": 122.674977207564, - "L1": 1.3317014562106, + "a1": 122.623017562678, + "L4": 1.52018558630021, + "L5": 1.21876947002348, + "L2": 1.45391386962083, + "L3": 1.54898927503919, + "a7": 123.363335389417, + "L1": 1.33272750942575, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.325174702218, - "bs": 16.0, - "a2": 110.19796279948, - "a5": 119.707531911729, - "sidechain_LEU": 54, + "ss": "E", + "a3": 106.985924746441, + "bs": 15.0, + "a2": 110.328001581852, + "a5": 119.606758678327, + "sidechain_LEU": null, "chainIndex": 92, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.71007801775 + "a4": 110.428274061428 } }, { "pk": 611, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 37, - "a6": 116.512277849783, - "psi": -37.6491898676145, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 116.064131364233, + "psi": 136.90606904446, "oldID": "93", - "bg": 19.36, + "bg": 21.0, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 32, "protein": "1H0H", - "zeta": 34.3180000135923, + "zeta": 34.5484250085799, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -100064,120 +87960,120 @@ "sidechain_TRP": null, "next": 612, "sidechain_SER": null, - "bm": 15.0, + "bm": 18.0, "xpr": false, "prev": 610, "terminal_flag": false, - "phi": -68.5184604128589, - "chainID": "A", + "phi": -85.8712540694847, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.716626671792, - "chi2": -36.0169729043703, + "ome": 172.821713110388, + "chi2": 171.668485644234, "chi3": null, - "chi1": -66.3084248192438, + "chi1": -66.220231254905, "chi4": null, "chi5": null, - "a1": 119.428445552869, - "L4": 1.52741755339203, - "L5": 1.23949598108146, - "L2": 1.45677368825034, - "L3": 1.52406325357791, - "a7": 123.188447896817, - "L1": 1.33614875654618, + "a1": 122.455633921863, + "L4": 1.53102482950645, + "L5": 1.24641414051351, + "L2": 1.46195783418147, + "L3": 1.54160576660538, + "a7": 123.197301689304, + "L1": 1.3368522724956, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.019751712106, - "bs": 19.0, - "a2": 111.907693224323, - "a5": 120.295955730202, + "ss": "E", + "a3": 110.656170250928, + "bs": 21.0, + "a2": 110.506968307806, + "a5": 120.726302664101, "sidechain_LEU": null, "chainIndex": 93, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.058429532833 + "a4": 109.738370714576 } }, { "pk": 612, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.896904198401, - "psi": -47.7443211178684, + "a6": 116.254313309244, + "psi": 105.338670824918, "oldID": "94", - "bg": 16.06, + "bg": 18.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.8270076840865, + "zeta": 33.89859911002, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 26, + "sidechain_THR": null, "sidechain_TRP": null, "next": 613, "sidechain_SER": null, - "bm": 14.0, + "bm": 18.0, "xpr": false, "prev": 611, "terminal_flag": false, - "phi": -66.8229397908853, - "chainID": "A", + "phi": -110.343497981239, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.354550051212, + "ome": -172.228134723211, "chi2": null, "chi3": null, - "chi1": -66.2076867885521, + "chi1": -161.718766652558, "chi4": null, "chi5": null, - "a1": 120.014433100061, - "L4": 1.52145528752888, - "L5": 1.22184618642581, - "L2": 1.4545668481331, - "L3": 1.53313297813538, - "a7": 122.684982671047, - "L1": 1.33018231521909, + "a1": 121.883608340131, + "L4": 1.53692036494854, + "L5": 1.23412578374497, + "L2": 1.4654767673446, + "L3": 1.52327834651494, + "a7": 122.6729566855, + "L1": 1.33360843562866, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.262851919735, - "bs": 14.0, - "a2": 112.071705224906, - "a5": 120.416223980594, + "ss": "E", + "a3": 106.420398248689, + "bs": 18.0, + "a2": 110.659926735783, + "a5": 121.071955739604, "sidechain_LEU": null, "chainIndex": 94, - "sidechain_HIS": null, + "sidechain_HIS": 30, "h_bond_energy": 0.0, - "a4": 110.739409455917 + "a4": 111.493741239313 } }, { "pk": 613, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.71039154924, - "psi": -42.0450666053437, + "chain": "1H0HB", + "sidechain_ASP": 38, + "a6": 116.219105956456, + "psi": 115.637684574066, "oldID": "95", - "bg": 15.88, + "bg": 20.59, "sidechain_CYS": null, - "sidechain_ILE": 31, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.6200504863526, + "zeta": 34.2290295539991, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -100186,59 +88082,59 @@ "sidechain_TRP": null, "next": 614, "sidechain_SER": null, - "bm": 14.0, + "bm": 20.0, "xpr": false, "prev": 612, "terminal_flag": false, - "phi": -57.3023505510108, - "chainID": "A", + "phi": -82.3911235047967, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.975686465037, - "chi2": 164.929111992874, + "ome": -176.222381064861, + "chi2": 61.8343715208787, "chi3": null, - "chi1": -66.9268288681505, + "chi1": -177.590284724353, "chi4": null, "chi5": null, - "a1": 119.970752282205, - "L4": 1.52317209219595, - "L5": 1.2237535964217, - "L2": 1.4538054834679, - "L3": 1.55101606032885, - "a7": 122.157096057694, - "L1": 1.33144440468541, + "a1": 121.061568371005, + "L4": 1.50965434611758, + "L5": 1.22608805514782, + "L2": 1.44891048375517, + "L3": 1.52563612818166, + "a7": 123.042452482594, + "L1": 1.3300793674863, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.134109202852, - "bs": 15.0, - "a2": 112.077054138428, - "a5": 121.125098895265, + "ss": "-", + "a3": 112.740149665901, + "bs": 20.0, + "a2": 109.985450752489, + "a5": 120.725121936729, "sidechain_LEU": null, "chainIndex": 95, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.84431673721 + "a4": 110.072959639112 } }, { "pk": 614, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.553744612417, - "psi": -40.4855688668404, + "chain": "1H0HB", + "sidechain_ASP": 39, + "a6": 117.162647521551, + "psi": -41.9472862046196, "oldID": "96", - "bg": 0.0, + "bg": 26.36, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.9068833509368, + "zeta": 31.154527002786, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -100247,59 +88143,59 @@ "sidechain_TRP": null, "next": 615, "sidechain_SER": null, - "bm": 14.0, + "bm": 22.0, "xpr": false, "prev": 613, "terminal_flag": false, - "phi": -59.108109491389, - "chainID": "A", + "phi": -60.3685414404148, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.973255446044, - "chi2": null, + "ome": -176.153537760875, + "chi2": 79.479308145635, "chi3": null, - "chi1": null, + "chi1": -173.455919725328, "chi4": null, "chi5": null, - "a1": 118.554486166378, - "L4": 1.51960895705276, - "L5": 1.21750255732767, - "L2": 1.44492077110816, - "L3": 1.5254463520163, - "a7": 123.558864605342, - "L1": 1.32834271379574, + "a1": 120.843305308354, + "L4": 1.54539909271851, + "L5": 1.22748795304333, + "L2": 1.44536899026033, + "L3": 1.52979880611054, + "a7": 122.33195690764, + "L1": 1.32683346125519, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.521073646705, - "bs": 16.0, - "a2": 111.844517682322, - "a5": 119.887365179937, + "ss": "T", + "a3": 115.2594941946, + "bs": 26.0, + "a2": 112.124873787468, + "a5": 120.50161835574, "sidechain_LEU": null, "chainIndex": 96, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.749341334431 + "a4": 110.835209041601 } }, { "pk": 615, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.019207267198, - "psi": -46.703510374573, + "a6": 117.229624519028, + "psi": -32.9771287130596, "oldID": "97", - "bg": 23.07, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.0817162301779, + "zeta": 33.9552959297219, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -100308,181 +88204,181 @@ "sidechain_TRP": null, "next": 616, "sidechain_SER": null, - "bm": 14.0, + "bm": 21.0, "xpr": false, "prev": 614, "terminal_flag": false, - "phi": -64.6063549703418, - "chainID": "A", + "phi": -67.3830787714577, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.243012562671, - "chi2": 81.0632592746991, - "chi3": -12.0675047928202, - "chi1": 166.08280159582, + "ome": -176.137262225357, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.391639707881, - "L4": 1.53203007013933, - "L5": 1.22301221782688, - "L2": 1.45380315379613, - "L3": 1.53318105636648, - "a7": 122.966878923891, - "L1": 1.32822219102087, + "a1": 120.551766046967, + "L4": 1.52585133076666, + "L5": 1.23077139326256, + "L2": 1.44952251278732, + "L3": 1.52230509308068, + "a7": 122.397185221797, + "L1": 1.32236390504458, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 58, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.641358536602, - "bs": 24.0, - "a2": 110.935389619289, - "a5": 120.005487486486, + "ss": "T", + "a3": 114.30963230745, + "bs": 22.0, + "a2": 109.840693177664, + "a5": 120.369450967747, "sidechain_LEU": null, "chainIndex": 97, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.346640363118 + "a4": 109.932438638387 } }, { "pk": 616, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.310471230174, - "psi": -43.8905188892925, + "a6": 116.906488550218, + "psi": -22.5368031161147, "oldID": "98", - "bg": 14.82, + "bg": 18.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.9797727880405, + "zeta": 35.2559868414874, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 27, "sidechain_TRP": null, "next": 617, "sidechain_SER": null, - "bm": 14.0, + "bm": 18.0, "xpr": false, "prev": 615, "terminal_flag": false, - "phi": -58.3072017082634, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.340896225091, - "chi2": -60.1723774324873, - "chi3": 178.712328981689, - "chi1": -67.0426235474505, - "chi4": -88.550309806231, - "chi5": -6.12484344686132, - "a1": 121.13728821323, - "L4": 1.54056041252814, - "L5": 1.22981750995504, - "L2": 1.46196960812267, - "L3": 1.53888620772594, - "a7": 122.73062619821, - "L1": 1.33235421157631, - "sidechain_ARG": 29, + "phi": -112.446345298235, + "chainID": "B", + "sidechain_GLN": null, + "ome": -173.456505111601, + "chi2": null, + "chi3": null, + "chi1": 54.3745686668515, + "chi4": null, + "chi5": null, + "a1": 119.816657747732, + "L4": 1.5077500882492, + "L5": 1.22410355613601, + "L2": 1.4459559818926, + "L3": 1.53393001395809, + "a7": 122.790884639985, + "L1": 1.3294491719625, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.160273337269, - "bs": 15.0, - "a2": 111.081113388547, - "a5": 120.906406429326, + "ss": "T", + "a3": 113.926494083229, + "bs": 18.0, + "a2": 110.557536543004, + "a5": 120.301697230125, "sidechain_LEU": null, "chainIndex": 98, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.723551512597 + "a4": 107.837667793964 } }, { "pk": 617, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.738758867681, - "psi": -45.7740662045204, + "a6": 117.3034449152, + "psi": 2.24287550221693, "oldID": "99", - "bg": 15.59, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.4286569190859, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 52, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 618, "sidechain_SER": null, - "bm": 14.0, + "bm": 17.0, "xpr": false, "prev": 616, "terminal_flag": false, - "phi": -63.5671523222406, - "chainID": "A", + "phi": 87.2464762762302, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.1108394625, + "ome": -178.504953501211, "chi2": null, "chi3": null, - "chi1": 167.227710082422, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.463000562337, - "L4": 1.52899928761522, - "L5": 1.22665829292429, - "L2": 1.46375648560874, - "L3": 1.53451115988985, - "a7": 122.089841828142, - "L1": 1.3300904799585, + "a1": 119.652380150391, + "L4": 1.51962098001409, + "L5": 1.23458505826885, + "L2": 1.44796880191145, + "L3": null, + "a7": 122.027451259483, + "L1": 1.32307679839448, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.519363140738, - "bs": 15.0, - "a2": 112.083670712933, - "a5": 121.11840274325, + "ss": "-", + "a3": 109.811271692961, + "bs": 0.0, + "a2": null, + "a5": 120.662757518422, "sidechain_LEU": null, "chainIndex": 99, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.028210134626 + "a4": null } }, { "pk": 618, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.970162546557, - "psi": -45.9480565580648, + "a6": 115.436655866997, + "psi": 137.728598741063, "oldID": "100", - "bg": 0.0, - "sidechain_CYS": null, + "bg": 17.96, + "sidechain_CYS": 12, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.390834548502, + "zeta": 33.7671360976118, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -100491,62 +88387,62 @@ "sidechain_TRP": null, "next": 619, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 617, "terminal_flag": false, - "phi": -64.1545025846499, - "chainID": "A", + "phi": -64.9727370136039, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.324378971571, + "ome": 175.416399115902, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 172.259685577282, "chi4": null, "chi5": null, - "a1": 119.943388244091, - "L4": 1.53122341848541, - "L5": 1.22426027467933, - "L2": 1.45461034975822, - "L3": 1.54357211394329, - "a7": 122.508508269546, - "L1": 1.32423724358588, + "a1": 119.464335364931, + "L4": 1.52203760161364, + "L5": 1.22391163510151, + "L2": 1.45253118477551, + "L3": 1.53700265653629, + "a7": 123.766635854133, + "L1": 1.33462710206196, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.250892049661, - "bs": 14.0, - "a2": 110.85588022124, - "a5": 120.520971725809, + "ss": "-", + "a3": 112.275065756334, + "bs": 17.0, + "a2": 112.421757335637, + "a5": 120.779956596896, "sidechain_LEU": null, "chainIndex": 100, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.550890294003 + "a4": 108.417122523972 } }, { "pk": 619, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.760456152446, - "psi": -45.2649279002596, + "a6": 116.008645237966, + "psi": 109.748063169863, "oldID": "101", - "bg": 30.0, + "bg": 16.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.5269711391568, + "zeta": 33.9424118371849, "sidechain_PHE": null, - "sidechain_LYS": 33, - "sidechain_VAL": null, + "sidechain_LYS": null, + "sidechain_VAL": 50, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, @@ -100556,117 +88452,117 @@ "xpr": false, "prev": 618, "terminal_flag": false, - "phi": -69.9654447905082, - "chainID": "A", + "phi": -103.983423994636, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.833521732289, - "chi2": -70.0545087243141, - "chi3": 178.964481001372, - "chi1": -59.6908053601033, - "chi4": 179.666099084762, + "ome": -170.235895649321, + "chi2": null, + "chi3": null, + "chi1": 173.635923167624, + "chi4": null, "chi5": null, - "a1": 121.192162846933, - "L4": 1.53672987976488, - "L5": 1.23812505624863, - "L2": 1.4589272696795, - "L3": 1.53210752648049, - "a7": 123.000671016158, - "L1": 1.32981150998951, + "a1": 122.936144438433, + "L4": 1.50977876956002, + "L5": 1.22198819534123, + "L2": 1.45400701901584, + "L3": 1.53984113360322, + "a7": 122.840506104434, + "L1": 1.32974679472684, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.030811846936, - "bs": 27.0, - "a2": 109.346556693967, - "a5": 121.236076300007, + "ss": "E", + "a3": 103.312578738523, + "bs": 16.0, + "a2": 111.372773284961, + "a5": 121.130087612747, "sidechain_LEU": null, "chainIndex": 101, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.436630118794 + "a4": 112.043416255902 } }, { "pk": 620, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.481563020832, - "psi": -40.3284397832198, + "a6": 116.931767859599, + "psi": 109.496392950372, "oldID": "102", - "bg": 17.71, + "bg": 18.76, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.9528425391526, + "zeta": 34.6130908830716, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 27, + "sidechain_THR": null, "sidechain_TRP": null, "next": 621, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 619, "terminal_flag": false, - "phi": -67.748580922838, - "chainID": "A", + "phi": -110.736826746114, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.339934926819, - "chi2": null, + "ome": 173.590519205463, + "chi2": 60.1967626314815, "chi3": null, - "chi1": -61.6854266874808, + "chi1": 177.535851335176, "chi4": null, "chi5": null, - "a1": 121.081949549965, - "L4": 1.52656243428961, - "L5": 1.21785610981527, - "L2": 1.44943188483587, - "L3": 1.52316569728792, - "a7": 122.468232923605, - "L1": 1.32824488800614, + "a1": 120.958203386616, + "L4": 1.52072433674795, + "L5": 1.23163558058808, + "L2": 1.43741205224314, + "L3": 1.5276499920698, + "a7": 122.549683696559, + "L1": 1.31828038177147, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.826275683891, - "bs": 17.0, - "a2": 111.013665579891, - "a5": 120.011335923108, - "sidechain_LEU": null, + "ss": "E", + "a3": 113.959529830886, + "bs": 18.0, + "a2": 108.261016253016, + "a5": 120.500249682546, + "sidechain_LEU": 51, "chainIndex": 102, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.67272123764 + "a4": 110.921849012653 } }, { "pk": 621, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.59356781877, - "psi": -50.9732692136691, + "a6": 116.387148969824, + "psi": 129.825913214782, "oldID": "103", - "bg": 14.8, + "bg": 16.4, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.9368048981321, - "sidechain_PHE": null, + "zeta": 35.2906899634474, + "sidechain_PHE": 29, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -100674,120 +88570,120 @@ "sidechain_TRP": null, "next": 622, "sidechain_SER": null, - "bm": 15.0, + "bm": 18.0, "xpr": false, "prev": 620, "terminal_flag": false, - "phi": -56.7892784333214, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.736203507056, - "chi2": -179.326980311229, - "chi3": 176.39307433416, - "chi1": 173.007805064936, - "chi4": -91.8758172618447, - "chi5": -0.598116268122717, - "a1": 119.141683724213, - "L4": 1.53996528909416, - "L5": 1.22862376392436, - "L2": 1.45378831735159, - "L3": 1.5268154972343, - "a7": 121.95485453494, - "L1": 1.32384928115936, - "sidechain_ARG": 30, + "phi": -75.5902667155868, + "chainID": "B", + "sidechain_GLN": null, + "ome": 177.806680941292, + "chi2": 41.5455930316492, + "chi3": null, + "chi1": -87.8485974487033, + "chi4": null, + "chi5": null, + "a1": 118.980218538543, + "L4": 1.51645632853103, + "L5": 1.23314691686476, + "L2": 1.45539975369524, + "L3": 1.52871913069197, + "a7": 122.984205310131, + "L1": 1.33162606337956, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.480356936726, - "bs": 14.0, - "a2": 111.679956286287, - "a5": 120.414964121372, + "ss": "E", + "a3": 105.962253427847, + "bs": 16.0, + "a2": 112.741304094894, + "a5": 120.622776422865, "sidechain_LEU": null, "chainIndex": 103, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.210774031616 + "a4": 107.545399948201 } }, { "pk": 622, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.178871216156, - "psi": -45.5594002600539, + "a6": 117.333596698349, + "psi": 167.44424785433, "oldID": "104", - "bg": 17.01, + "bg": 18.22, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.3005143541753, + "zeta": 35.2656504682595, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 28, "sidechain_TRP": null, "next": 623, "sidechain_SER": null, - "bm": 15.0, + "bm": 18.0, "xpr": false, "prev": 621, "terminal_flag": false, - "phi": -59.7469215223608, - "chainID": "A", + "phi": -108.530286658462, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.841102852718, - "chi2": 71.6922334863768, - "chi3": 18.9107015909308, - "chi1": -163.38654805461, + "ome": 173.902278341055, + "chi2": null, + "chi3": null, + "chi1": 71.6465322766004, "chi4": null, "chi5": null, - "a1": 119.220365581031, - "L4": 1.51660878544438, - "L5": 1.22478725449926, - "L2": 1.46407385549886, - "L3": 1.53530173277992, - "a7": 122.144385749414, - "L1": 1.33533999627157, + "a1": 120.858444670449, + "L4": 1.52727187249524, + "L5": 1.22279891515424, + "L2": 1.4488645611035, + "L3": 1.55466875381436, + "a7": 121.648857661343, + "L1": 1.31544489520035, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 59, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.068959953327, - "bs": 17.0, - "a2": 112.01943659621, - "a5": 121.67670122499, + "ss": "-", + "a3": 109.603044385313, + "bs": 18.0, + "a2": 110.154866485052, + "a5": 121.016765474767, "sidechain_LEU": null, "chainIndex": 104, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.489891185882 + "a4": 109.627533348761 } }, { "pk": 623, "model": "pgd_core.residue", "fields": { - "aa": "a", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 37, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.786978045968, - "psi": -27.601466984734, + "a6": 118.371790862945, + "psi": -21.1847676499146, "oldID": "105", - "bg": 0.0, + "bg": 21.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.756954679244, + "zeta": 39.382599443972, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -100796,64 +88692,64 @@ "sidechain_TRP": null, "next": 624, "sidechain_SER": null, - "bm": 17.0, + "bm": 19.0, "xpr": false, "prev": 622, "terminal_flag": false, - "phi": -63.0218836969008, - "chainID": "A", + "phi": -58.8897726794587, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.532148873917, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 176.965435458778, + "chi2": 41.5262698224188, + "chi3": -37.2167341720127, + "chi1": -28.5414628078704, + "chi4": 19.941073240196, "chi5": null, - "a1": 119.89196756582, - "L4": 1.52838870060171, - "L5": 1.22237988686178, - "L2": 1.45340500286702, - "L3": 1.50886608474627, - "a7": 122.014456361075, - "L1": 1.31780358234208, + "a1": 120.749106585459, + "L4": 1.52885670263769, + "L5": 1.23647518897497, + "L2": 1.46813374821132, + "L3": 1.52499768775071, + "a7": 123.38146330431, + "L1": 1.32257444703962, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.339927617507, - "bs": 18.0, - "a2": 109.933048998756, - "a5": 120.198063335949, + "omep": -8.0960019730952, + "ss": "G", + "a3": 112.06063440034, + "bs": 20.0, + "a2": 103.154234053311, + "a5": 118.241634742381, "sidechain_LEU": null, "chainIndex": 105, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.912885843904 + "a4": 109.508574445327 } }, { "pk": 624, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.224167676429, - "psi": 15.9819949764644, + "a6": 117.446829875511, + "psi": -16.634455581005, "oldID": "106", - "bg": 18.34, + "bg": 23.14, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.2259650548514, + "zeta": 32.7502475671496, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 31, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 28, + "sidechain_THR": null, "sidechain_TRP": null, "next": 625, "sidechain_SER": null, @@ -100861,299 +88757,299 @@ "xpr": false, "prev": 623, "terminal_flag": false, - "phi": -114.136212514279, - "chainID": "A", + "phi": -55.8939961109521, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.316926023229, - "chi2": null, - "chi3": null, - "chi1": 61.4151236111515, - "chi4": null, + "ome": 175.633974572364, + "chi2": -104.800009017509, + "chi3": -131.09714784526, + "chi1": -70.6727698187177, + "chi4": -32.047006845383, "chi5": null, - "a1": 120.795961772055, - "L4": 1.51523375811495, - "L5": 1.23828967488722, - "L2": 1.459834510637, - "L3": 1.5468357227274, - "a7": 122.459927600712, - "L1": 1.32452180817356, + "a1": 120.747812672399, + "L4": 1.5240607035777, + "L5": 1.23303690604196, + "L2": 1.45046494395251, + "L3": 1.53401160692501, + "a7": 122.284189821021, + "L1": 1.3298466731843, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.934517450978, - "bs": 17.0, - "a2": 109.465081795877, - "a5": 121.290470641523, + "ss": "G", + "a3": 111.160963007157, + "bs": 25.0, + "a2": 112.084283143019, + "a5": 120.265892583887, "sidechain_LEU": null, "chainIndex": 106, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.332786133858 + "a4": 110.534237828737 } }, { "pk": 625, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.795897368905, - "psi": 132.689062427335, + "a6": 117.043165945701, + "psi": -24.0719679402816, "oldID": "107", - "bg": 17.39, + "bg": 18.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.7219531874818, - "sidechain_PHE": 22, + "zeta": 33.1520337796921, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 29, "sidechain_TRP": null, "next": 626, "sidechain_SER": null, - "bm": 19.0, + "bm": 17.0, "xpr": false, "prev": 624, "terminal_flag": false, - "phi": -90.1102672560786, - "chainID": "A", + "phi": -59.2447304199718, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.816251531065, - "chi2": 84.9760647254386, + "ome": 179.04034626621, + "chi2": null, "chi3": null, - "chi1": -162.492742438552, + "chi1": 47.2077694334697, "chi4": null, "chi5": null, - "a1": 119.919909555232, - "L4": 1.51435612662075, - "L5": 1.24895883181165, - "L2": 1.45106642689621, - "L3": 1.52315190329915, - "a7": 124.416532758842, - "L1": 1.3262948510453, + "a1": 119.423158833188, + "L4": 1.51931145569087, + "L5": 1.22601047133482, + "L2": 1.45817974418448, + "L3": 1.54121417392128, + "a7": 122.890254516773, + "L1": 1.32967941416367, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.658920348547, - "bs": 17.0, - "a2": 110.450554197926, - "a5": 120.778895082253, + "ss": "G", + "a3": 112.149147701951, + "bs": 18.0, + "a2": 112.708781165331, + "a5": 120.064896643416, "sidechain_LEU": null, "chainIndex": 107, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.491528700411 + "a4": 109.042385790713 } }, { "pk": 626, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.597407051762, - "psi": 121.105945735637, + "a6": 116.346999735784, + "psi": -30.6525009535627, "oldID": "108", - "bg": 18.24, + "bg": 22.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.594434041026, + "zeta": 35.3295116546345, "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 53, + "sidechain_LYS": 32, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 627, "sidechain_SER": null, - "bm": 16.0, + "bm": 18.0, "xpr": false, "prev": 625, "terminal_flag": false, - "phi": -109.978405222615, - "chainID": "A", + "phi": -55.1520342577077, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.881249460979, - "chi2": null, - "chi3": null, - "chi1": -178.906661236028, - "chi4": null, + "ome": -177.502197376584, + "chi2": 176.344347848176, + "chi3": 159.201523570474, + "chi1": -167.639305946803, + "chi4": 133.570202193917, "chi5": null, - "a1": 123.274317980786, - "L4": 1.52807775182224, - "L5": 1.23351245456028, - "L2": 1.45537544238849, - "L3": 1.56372352471723, - "a7": 122.6473138135, - "L1": 1.32788305127983, + "a1": 121.605520074898, + "L4": 1.53933178700211, + "L5": 1.24279031324841, + "L2": 1.45837153614048, + "L3": 1.53586921536528, + "a7": 122.987153272443, + "L1": 1.32554259560456, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.180500955781, - "bs": 18.0, - "a2": 110.681250251835, - "a5": 120.747413058725, + "ss": "G", + "a3": 112.918609700293, + "bs": 23.0, + "a2": 108.947941829092, + "a5": 120.664639778831, "sidechain_LEU": null, "chainIndex": 108, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.509146749787 + "a4": 109.449818549893 } }, { "pk": 627, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.634432270159, - "psi": -70.6125813557177, + "chain": "1H0HB", + "sidechain_ASP": 40, + "a6": 117.991810271067, + "psi": -0.779523099442965, "oldID": "109", - "bg": 19.52, + "bg": 22.83, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.3860601514849, + "zeta": 35.6869593230666, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 29, + "sidechain_THR": null, "sidechain_TRP": null, "next": 628, "sidechain_SER": null, - "bm": 18.0, + "bm": 17.0, "xpr": false, "prev": 626, "terminal_flag": false, - "phi": -85.0065594239384, - "chainID": "A", + "phi": -89.2344148400434, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.704585904195, - "chi2": null, + "ome": 176.12537369474, + "chi2": -30.3769149588381, "chi3": null, - "chi1": 41.1977802620641, + "chi1": -56.1686507324858, "chi4": null, "chi5": null, - "a1": 120.386725422136, - "L4": 1.50653521513463, - "L5": 1.22468113684337, - "L2": 1.45199848188886, - "L3": 1.54838500781334, - "a7": 123.956979973348, - "L1": 1.3356786713414, + "a1": 122.348662625674, + "L4": 1.51262997850656, + "L5": 1.2285891087497, + "L2": 1.4662209801189, + "L3": 1.53905064799545, + "a7": 122.18867498354, + "L1": 1.33165754807137, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.038950368199, - "bs": 19.0, - "a2": 112.139965279909, - "a5": 120.407237782886, + "ss": "G", + "a3": 114.15612379794, + "bs": 22.0, + "a2": 112.085744678519, + "a5": 119.683077590912, "sidechain_LEU": null, "chainIndex": 109, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.522819682976 + "a4": 105.518154267264 } }, { "pk": 628, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.425333081808, - "psi": 128.085475614782, + "a6": 117.117660679688, + "psi": 131.201947621443, "oldID": "110", - "bg": 25.71, + "bg": 16.93, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.0131149361151, + "zeta": 34.5873937505565, "sidechain_PHE": null, - "sidechain_LYS": 34, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 629, "sidechain_SER": null, - "bm": 21.0, + "bm": 17.0, "xpr": false, "prev": 627, "terminal_flag": false, - "phi": -104.102575264316, - "chainID": "A", + "phi": -67.2777560955089, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.419203664186, - "chi2": -158.322308878173, - "chi3": -150.95542657871, - "chi1": -96.912811563403, - "chi4": -158.134928550195, + "ome": 174.757686729865, + "chi2": 171.78944064461, + "chi3": null, + "chi1": -67.6271945738676, + "chi4": null, "chi5": null, - "a1": 122.642563638466, - "L4": 1.50904826737703, - "L5": 1.21733397305619, - "L2": 1.46047180554505, - "L3": 1.52262342029219, - "a7": 122.643872310077, - "L1": 1.33483677110698, + "a1": 119.749016387947, + "L4": 1.53430466922592, + "L5": 1.23313971672426, + "L2": 1.45257917449057, + "L3": 1.52795566144019, + "a7": 121.6803318406, + "L1": 1.32140537526245, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.16563995207, - "bs": 27.0, - "a2": 110.847952636968, - "a5": 119.92896262002, - "sidechain_LEU": null, + "ss": "-", + "a3": 108.862139564304, + "bs": 16.0, + "a2": 110.553694502272, + "a5": 121.187061180102, + "sidechain_LEU": 52, "chainIndex": 110, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.046099016515 + "a4": 110.033559936486 } }, { "pk": 629, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "e", "sidechain_PRO": null, - "sidechain_ASN": 22, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.309029116765, - "psi": -179.251975898431, + "a6": 117.18823090938, + "psi": -32.3035937465945, "oldID": "111", - "bg": 19.87, + "bg": 25.8, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.5570616510137, + "zeta": 31.3699791705996, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101166,55 +89062,55 @@ "xpr": false, "prev": 628, "terminal_flag": false, - "phi": -77.9089473999112, - "chainID": "A", + "phi": -78.6401065983078, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.739249086847, - "chi2": 12.2125740557957, - "chi3": null, - "chi1": 65.8009577055226, + "ome": -176.474544312329, + "chi2": 179.381048731467, + "chi3": 36.9763629175909, + "chi1": 71.1125189073387, "chi4": null, "chi5": null, - "a1": 120.009469887317, - "L4": 1.52824679472769, - "L5": 1.23415280585769, - "L2": 1.4666475914697, - "L3": 1.54301388230056, - "a7": 122.825486048458, - "L1": 1.32752680997444, + "a1": 117.982532267355, + "L4": 1.53868559518839, + "L5": 1.229228121647, + "L2": 1.45276760092379, + "L3": 1.53233271971872, + "a7": 122.762684551616, + "L1": 1.31930978223469, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 57, "omep": null, - "ss": "-", - "a3": 110.925372256404, - "bs": 20.0, - "a2": 111.811329674319, - "a5": 120.862497830666, + "ss": "S", + "a3": 110.029679089551, + "bs": 26.0, + "a2": 112.521270776235, + "a5": 120.021241748018, "sidechain_LEU": null, "chainIndex": 111, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.145437809734 + "a4": 112.333673859015 } }, { "pk": 630, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.003375707381, - "psi": -26.2223446482011, + "chain": "1H0HB", + "sidechain_ASP": 41, + "a6": 116.498010629348, + "psi": 76.6013615475378, "oldID": "112", - "bg": 0.0, + "bg": 22.47, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.7686091068048, + "zeta": 33.0591930647902, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101223,120 +89119,120 @@ "sidechain_TRP": null, "next": 631, "sidechain_SER": null, - "bm": 24.0, + "bm": 20.0, "xpr": false, "prev": 629, "terminal_flag": false, - "phi": -63.590295464623, - "chainID": "A", + "phi": -113.241663414821, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.894019007386, - "chi2": null, + "ome": -179.856915418412, + "chi2": 11.3563776768214, "chi3": null, - "chi1": null, + "chi1": -173.690264893173, "chi4": null, "chi5": null, - "a1": 120.672806417072, - "L4": 1.53901374908922, - "L5": 1.22874174395396, - "L2": 1.46207135101283, - "L3": 1.53942322222217, - "a7": 121.310161369711, - "L1": 1.32662116981526, + "a1": 120.483010456673, + "L4": 1.52729631585968, + "L5": 1.22789247719021, + "L2": 1.45537050881875, + "L3": 1.52439646160906, + "a7": 121.024220096014, + "L1": 1.33501463335068, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.076590560923, - "bs": 25.0, - "a2": 110.763613433201, - "a5": 120.682328266479, + "ss": "-", + "a3": 113.830501720168, + "bs": 22.0, + "a2": 110.53113150347, + "a5": 122.460306808365, "sidechain_LEU": null, "chainIndex": 112, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.679941019104 + "a4": 110.568485032251 } }, { "pk": 631, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.728825304344, - "psi": 3.58191430849486, + "a6": 118.131787907699, + "psi": -27.589079867308, "oldID": "113", - "bg": 27.95, + "bg": 23.64, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.8567027374636, + "zeta": 34.3613276280159, "sidechain_PHE": null, - "sidechain_LYS": 35, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 632, "sidechain_SER": null, - "bm": 24.0, + "bm": 19.0, "xpr": false, "prev": 630, "terminal_flag": false, - "phi": -83.5854258547124, - "chainID": "A", + "phi": -76.1549715781085, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.489054803529, - "chi2": -178.806557971476, - "chi3": -171.369569426291, - "chi1": -50.5200187555012, - "chi4": 169.985169261239, + "ome": -174.727729655308, + "chi2": 83.954785226759, + "chi3": null, + "chi1": 75.5055875671281, + "chi4": null, "chi5": null, - "a1": 119.170188143845, - "L4": 1.53892839510742, - "L5": 1.22353756176081, - "L2": 1.45626078878888, - "L3": 1.52215997269039, - "a7": 121.78250682922, - "L1": 1.32257561137573, + "a1": 117.459393234786, + "L4": 1.53409737322446, + "L5": 1.220576943485, + "L2": 1.44500580782678, + "L3": 1.5170758058371, + "a7": 122.099078539399, + "L1": 1.3107144156045, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 18, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.573450948211, - "bs": 29.0, - "a2": 111.105988852089, - "a5": 120.471450438913, + "ss": "H", + "a3": 113.292603453987, + "bs": 26.0, + "a2": 110.462998139197, + "a5": 119.756926483982, "sidechain_LEU": null, "chainIndex": 113, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.590295578279 + "a4": 109.025487280481 } }, { "pk": 632, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.249737153809, - "psi": 13.5178144301555, + "a6": 115.563548341528, + "psi": -37.5015891607263, "oldID": "114", - "bg": 0.0, + "bg": 22.81, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 33.3157903171561, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101345,59 +89241,59 @@ "sidechain_TRP": null, "next": 633, "sidechain_SER": null, - "bm": 20.0, + "bm": 19.0, "xpr": false, "prev": 631, "terminal_flag": false, - "phi": 83.0766104745953, - "chainID": "A", + "phi": -60.8400049171353, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.020494557367, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -177.123189321845, + "chi2": 176.836276573079, + "chi3": 68.8392760200985, + "chi1": -65.6703815975142, "chi4": null, "chi5": null, - "a1": 120.422949276235, - "L4": 1.52068379640223, - "L5": 1.2275520021907, - "L2": 1.4502518708792, - "L3": null, - "a7": 122.284076542807, - "L1": 1.33286891973073, + "a1": 119.508419012005, + "L4": 1.5150352132502, + "L5": 1.24011692678699, + "L2": 1.45198011890707, + "L3": 1.5219179501569, + "a7": 123.930171990631, + "L1": 1.32983479150067, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 58, "omep": null, - "ss": "S", - "a3": 115.88481697039, - "bs": 0.0, - "a2": null, - "a5": 120.462088587501, + "ss": "H", + "a3": 112.008380866962, + "bs": 24.0, + "a2": 111.736607832125, + "a5": 120.505588679893, "sidechain_LEU": null, "chainIndex": 114, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.710616222577 } }, { "pk": 633, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.508700117897, - "psi": 136.171571067101, + "a6": 116.262325776628, + "psi": -33.9410751436688, "oldID": "115", - "bg": 18.29, + "bg": 19.29, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.2666583089347, + "zeta": 34.4073669640354, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101405,41 +89301,41 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 634, - "sidechain_SER": null, - "bm": 17.0, + "sidechain_SER": 21, + "bm": 16.0, "xpr": false, "prev": 632, "terminal_flag": false, - "phi": -93.7143661995094, - "chainID": "A", - "sidechain_GLN": 28, - "ome": 173.006377412275, - "chi2": 159.963666637309, - "chi3": -59.4291281416663, - "chi1": -55.8061246299525, + "phi": -67.7800994376101, + "chainID": "B", + "sidechain_GLN": null, + "ome": 178.827639609652, + "chi2": null, + "chi3": null, + "chi1": -75.9110459845541, "chi4": null, "chi5": null, - "a1": 121.107777996348, - "L4": 1.52414815299531, - "L5": 1.22610707591845, - "L2": 1.44969107468712, - "L3": 1.54340157277092, - "a7": 122.447617725218, - "L1": 1.32621786708614, + "a1": 121.842772915735, + "L4": 1.51455200447556, + "L5": 1.22931705643921, + "L2": 1.44617680235734, + "L3": 1.53017841457551, + "a7": 123.718302869868, + "L1": 1.32812368116894, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.315138856666, + "ss": "H", + "a3": 109.512203607849, "bs": 18.0, - "a2": 110.43119258264, - "a5": 121.033721554048, + "a2": 110.923529413473, + "a5": 120.004169583868, "sidechain_LEU": null, "chainIndex": 115, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.296829461191 + "a4": 109.927154592488 } }, { @@ -101449,19 +89345,19 @@ "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.069015416567, - "psi": 117.460480276728, + "a6": 117.177879368378, + "psi": -47.6018898483485, "oldID": "116", - "bg": 20.77, + "bg": 15.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.3963828245038, + "zeta": 33.650933956006, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 54, + "sidechain_VAL": 51, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, @@ -101471,58 +89367,58 @@ "xpr": false, "prev": 633, "terminal_flag": false, - "phi": -73.1125468940256, - "chainID": "A", + "phi": -64.7723180905173, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.103266396132, + "ome": -178.867411074555, "chi2": null, "chi3": null, - "chi1": -177.657867907692, + "chi1": 174.32582896285, "chi4": null, "chi5": null, - "a1": 121.432402109393, - "L4": 1.53887668158094, - "L5": 1.22647047139353, - "L2": 1.45476267213517, - "L3": 1.5275873880586, - "a7": 122.247543081758, - "L1": 1.32396260092601, + "a1": 122.099648798372, + "L4": 1.53707453116467, + "L5": 1.22869164781076, + "L2": 1.46859989059543, + "L3": 1.55148735332717, + "a7": 122.42818060137, + "L1": 1.33355067391174, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.730924255126, - "bs": 20.0, - "a2": 111.065638781365, - "a5": 120.683441501352, + "ss": "H", + "a3": 107.927175225108, + "bs": 16.0, + "a2": 111.149757981986, + "a5": 120.321872050774, "sidechain_LEU": null, "chainIndex": 116, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.008377135856 + "a4": 111.277962414481 } }, { "pk": 635, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.927901773354, - "psi": -24.5039317185766, + "a6": 117.88013296221, + "psi": -43.5720668809706, "oldID": "117", - "bg": 16.64, + "bg": 14.82, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 33, "protein": "1H0H", - "zeta": 33.0341720201482, + "zeta": 32.4759083752173, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 55, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, @@ -101532,55 +89428,55 @@ "xpr": false, "prev": 634, "terminal_flag": false, - "phi": -120.355192345966, - "chainID": "A", + "phi": -66.0491923735705, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.428717051023, - "chi2": null, + "ome": -179.922672948106, + "chi2": 177.266134604648, "chi3": null, - "chi1": -63.6238743230906, + "chi1": -60.7669534833114, "chi4": null, "chi5": null, - "a1": 120.763804477295, - "L4": 1.52322373359113, - "L5": 1.22699426586638, - "L2": 1.45617702026478, - "L3": 1.55086070280295, - "a7": 122.841961657239, - "L1": 1.32692760335894, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, + "a1": 120.596011582003, + "L4": 1.52729361596063, + "L5": 1.22191200759687, + "L2": 1.46609474121635, + "L3": 1.54158736688844, + "a7": 122.710595689091, + "L1": 1.33217132699719, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.666235873075, - "bs": 16.0, - "a2": 112.308138485962, - "a5": 119.198737854149, + "ss": "H", + "a3": 110.66973040227, + "bs": 15.0, + "a2": 111.767988334329, + "a5": 119.32873948694, "sidechain_LEU": null, "chainIndex": 117, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.515644201233 + "a4": 111.388330346876 } }, { "pk": 636, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "s", "sidechain_PRO": null, - "sidechain_ASN": 23, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.199412221475, - "psi": 58.7292540311443, + "a6": 118.578794821348, + "psi": -25.0007461550998, "oldID": "118", - "bg": 16.96, + "bg": 19.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.4571016460368, + "zeta": 31.824896008743, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101588,60 +89484,60 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 637, - "sidechain_SER": null, - "bm": 16.0, + "sidechain_SER": 22, + "bm": 17.0, "xpr": false, "prev": 635, "terminal_flag": false, - "phi": 43.3656375020212, - "chainID": "A", + "phi": -66.9955139914818, + "chainID": "B", "sidechain_GLN": null, - "ome": -171.470725229839, - "chi2": -23.9642561424262, + "ome": 178.371340969415, + "chi2": null, "chi3": null, - "chi1": -64.7767782591483, + "chi1": 59.4598085215792, "chi4": null, "chi5": null, - "a1": 120.247505669207, - "L4": 1.54474450528136, - "L5": 1.23416388486327, - "L2": 1.46428379569619, - "L3": 1.52626296625159, - "a7": 122.717567005438, - "L1": 1.33655074666962, + "a1": 119.441416329641, + "L4": 1.53061707354399, + "L5": 1.21978329139024, + "L2": 1.46836399174631, + "L3": 1.53860126215181, + "a7": 122.184067451542, + "L1": 1.33840580028303, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.773838288659, - "bs": 16.0, - "a2": 108.579954934629, - "a5": 122.014851420921, + "ss": "H", + "a3": 112.812422006272, + "bs": 19.0, + "a2": 113.905461460225, + "a5": 119.21555259334, "sidechain_LEU": null, "chainIndex": 118, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.248526073286 + "a4": 109.214986445267 } }, { "pk": 637, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.426328047637, - "psi": 139.136522792226, + "a6": 117.120722739317, + "psi": -23.6997289609285, "oldID": "119", - "bg": 15.65, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 37.1871284340176, + "zeta": 34.6669253866115, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101654,36 +89550,36 @@ "xpr": false, "prev": 636, "terminal_flag": false, - "phi": -129.520219081666, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.754318853873, - "chi2": -175.220329144806, - "chi3": 71.8901539215457, - "chi1": -179.751681378675, - "chi4": -114.887356083148, - "chi5": 0.438100990282294, - "a1": 121.576029848353, - "L4": 1.50974096843952, - "L5": 1.22300794599895, - "L2": 1.45207194935471, - "L3": 1.52895928853981, - "a7": 122.595349633041, - "L1": 1.32767043973311, - "sidechain_ARG": 31, + "phi": -67.6003384093391, + "chainID": "B", + "sidechain_GLN": null, + "ome": 178.460398909325, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 121.003571126326, + "L4": 1.52431533950655, + "L5": 1.22852756246572, + "L2": 1.47611870889239, + "L3": 1.53682174278651, + "a7": 121.926558144711, + "L1": 1.33630375615537, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.743059374046, - "bs": 15.0, - "a2": 107.894438104391, - "a5": 120.977891729828, + "ss": "H", + "a3": 112.025948285016, + "bs": 17.0, + "a2": 110.915964991977, + "a5": 120.855911812228, "sidechain_LEU": null, "chainIndex": 119, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.095882868598 + "a4": 108.63046157292 } }, { @@ -101693,16 +89589,16 @@ "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.554427681222, - "psi": 118.71059403385, + "a6": 116.375612456882, + "psi": 114.941126610766, "oldID": "120", - "bg": 17.88, - "sidechain_CYS": 10, + "bg": 18.0, + "sidechain_CYS": 13, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9586658058236, + "zeta": 33.6833762276397, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101711,59 +89607,59 @@ "sidechain_TRP": null, "next": 639, "sidechain_SER": null, - "bm": 16.0, + "bm": 17.0, "xpr": false, "prev": 637, "terminal_flag": false, - "phi": -93.0452625161931, - "chainID": "A", + "phi": -73.1446201228812, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.160103539259, + "ome": -178.543527850046, "chi2": null, "chi3": null, - "chi1": 171.938673785875, + "chi1": 178.276893290733, "chi4": null, "chi5": null, - "a1": 120.924347931213, - "L4": 1.53334224603748, - "L5": 1.22034083264723, - "L2": 1.45230305263757, - "L3": 1.52325536554613, - "a7": 122.231939338806, - "L1": 1.32380969518432, + "a1": 119.665713632166, + "L4": 1.53107715005255, + "L5": 1.22423273281543, + "L2": 1.46458723780577, + "L3": 1.50994870015978, + "a7": 122.122996474123, + "L1": 1.3224624435263, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.111246555243, + "ss": "-", + "a3": 112.408587970408, "bs": 17.0, - "a2": 110.047978313115, - "a5": 120.212387216581, + "a2": 111.423430594857, + "a5": 121.456663277753, "sidechain_LEU": null, "chainIndex": 120, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.394039096747 + "a4": 109.087014282216 } }, { "pk": 639, "model": "pgd_core.residue", "fields": { - "aa": "d", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 38, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 38, - "a6": 118.051164097027, - "psi": -8.11531314978557, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 116.300603154278, + "psi": -19.4914177079121, "oldID": "121", - "bg": 20.27, + "bg": 17.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.9363678815005, + "zeta": 39.8575253959937, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101776,55 +89672,55 @@ "xpr": false, "prev": 638, "terminal_flag": false, - "phi": -94.2457206714582, - "chainID": "A", + "phi": -65.0474037596285, + "chainID": "B", "sidechain_GLN": null, - "ome": -171.069348657121, - "chi2": -27.6863156780129, - "chi3": null, - "chi1": -86.7622071991409, - "chi4": null, + "ome": -174.924479526453, + "chi2": 32.515554749485, + "chi3": -32.6895374107872, + "chi1": -18.4217552336532, + "chi4": 21.5725326640226, "chi5": null, - "a1": 120.524289269124, - "L4": 1.51714586983731, - "L5": 1.22556579122607, - "L2": 1.45491742688842, - "L3": 1.54370373136236, - "a7": 122.35342073112, - "L1": 1.32944028263433, + "a1": 121.578304573067, + "L4": 1.51592478719, + "L5": 1.22967500472325, + "L2": 1.46705157932782, + "L3": 1.53288228624754, + "a7": 123.4252977077, + "L1": 1.32029101200318, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.541551534563, - "bs": 21.0, - "a2": 110.295792573333, - "a5": 119.580352298283, + "omep": 1.83971779024449, + "ss": "T", + "a3": 110.58722129514, + "bs": 17.0, + "a2": 103.093727111616, + "a5": 120.265458211147, "sidechain_LEU": null, "chainIndex": 121, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.648331933144 + "a4": 109.28744648577 } }, { "pk": 640, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.154208320833, - "psi": -1.74240751600711, + "a6": 115.975657572447, + "psi": 1.31184699197555, "oldID": "122", - "bg": 0.0, + "bg": 15.95, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 34.1231058315245, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101833,59 +89729,59 @@ "sidechain_TRP": null, "next": 641, "sidechain_SER": null, - "bm": 14.0, + "bm": 17.0, "xpr": false, "prev": 639, "terminal_flag": false, - "phi": -105.248331709056, - "chainID": "A", + "phi": -103.632318735202, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.707854231589, - "chi2": null, + "ome": 178.34005871681, + "chi2": -77.0617096904759, "chi3": null, - "chi1": null, + "chi1": -52.6787328404869, "chi4": null, "chi5": null, - "a1": 119.591449249623, - "L4": 1.51514933016569, - "L5": 1.22945035189543, - "L2": 1.44891696916524, - "L3": null, - "a7": 123.749691388033, - "L1": 1.32586938752084, + "a1": 121.766466828662, + "L4": 1.52269969569086, + "L5": 1.22692259094711, + "L2": 1.44498639970296, + "L3": 1.53988195772544, + "a7": 123.533137221489, + "L1": 1.32617101739595, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 19, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 117.16059217868, - "bs": 0.0, - "a2": null, - "a5": 119.02460421241, + "ss": "T", + "a3": 113.964335876487, + "bs": 16.0, + "a2": 108.921251567342, + "a5": 120.454875537366, "sidechain_LEU": null, "chainIndex": 122, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.980537597701 } }, { "pk": 641, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.46331853877, - "psi": 138.428050926136, + "chain": "1H0HB", + "sidechain_ASP": 42, + "a6": 116.0660318283, + "psi": 47.6473971877054, "oldID": "123", - "bg": 14.77, + "bg": 18.44, "sidechain_CYS": null, - "sidechain_ILE": 32, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.229272818842, + "zeta": 33.5889105875642, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -101894,120 +89790,120 @@ "sidechain_TRP": null, "next": 642, "sidechain_SER": null, - "bm": 14.0, + "bm": 18.0, "xpr": false, "prev": 640, "terminal_flag": false, - "phi": -121.291678798626, - "chainID": "A", + "phi": 53.9742231307331, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.63264225467, - "chi2": 170.443366784684, + "ome": -176.070380387019, + "chi2": 32.9977965777737, "chi3": null, - "chi1": -55.6027389833159, + "chi1": -171.013279267242, "chi4": null, "chi5": null, - "a1": 121.055506209439, - "L4": 1.50859998637759, - "L5": 1.22723927727553, - "L2": 1.46832576593594, - "L3": 1.52715563388921, - "a7": 122.864171930457, - "L1": 1.32830500455594, + "a1": 123.857850154682, + "L4": 1.52177816543409, + "L5": 1.2202955047189, + "L2": 1.45337284678662, + "L3": 1.533595472839, + "a7": 123.15590291225, + "L1": 1.32187462679886, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.856000940098, - "bs": 14.0, - "a2": 111.100547554015, - "a5": 120.670286692449, + "ss": "-", + "a3": 112.210300114312, + "bs": 18.0, + "a2": 110.529441892424, + "a5": 120.768457202791, "sidechain_LEU": null, "chainIndex": 123, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.758205111839 + "a4": 110.573086326433 } }, { "pk": 642, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.039298084386, - "psi": 161.762042109973, + "a6": 119.917679101926, + "psi": -49.2001834262482, "oldID": "124", - "bg": 0.0, + "bg": 16.48, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.2254098178582, + "zeta": 30.8469890457398, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 52, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 643, "sidechain_SER": null, - "bm": 14.0, + "bm": 17.0, "xpr": false, "prev": 641, "terminal_flag": false, - "phi": -132.123174240405, - "chainID": "A", + "phi": -90.3297264051185, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.268777798413, + "ome": -173.157900647369, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 170.735702306172, "chi4": null, "chi5": null, - "a1": 121.041738858189, - "L4": 1.5257139325271, - "L5": 1.24315829242017, - "L2": 1.45663849096899, - "L3": 1.54689997662099, - "a7": 123.259986903919, - "L1": 1.3251849061462, + "a1": 122.661650478985, + "L4": 1.55047063489487, + "L5": 1.23241909054415, + "L2": 1.45318039312798, + "L3": 1.55480263471991, + "a7": 121.90230594057, + "L1": 1.32837571370109, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.090831885716, - "bs": 12.0, - "a2": 110.494460178185, - "a5": 120.698273746014, + "ss": "-", + "a3": 119.330559195213, + "bs": 16.0, + "a2": 110.626593769339, + "a5": 118.176210343758, "sidechain_LEU": null, "chainIndex": 124, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.823447742586 + "a4": 110.984078287956 } }, { "pk": 643, "model": "pgd_core.residue", "fields": { - "aa": "s", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 39, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.077600413211, - "psi": 135.671663528228, + "a6": 117.002460276293, + "psi": 146.435126017887, "oldID": "125", - "bg": 16.68, + "bg": 16.35, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.2893906359954, + "zeta": 40.1880228394052, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102015,224 +89911,224 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 644, - "sidechain_SER": 25, - "bm": 13.0, + "sidechain_SER": null, + "bm": 16.0, "xpr": false, "prev": 642, "terminal_flag": false, - "phi": -142.826868112127, - "chainID": "A", + "phi": -64.9509920169966, + "chainID": "B", "sidechain_GLN": null, - "ome": 166.130681198649, - "chi2": null, - "chi3": null, - "chi1": 173.540468523882, - "chi4": null, + "ome": -178.170362854885, + "chi2": 6.65368251996509, + "chi3": -7.40407678356882, + "chi1": -3.07913562566417, + "chi4": 5.48696442915299, "chi5": null, - "a1": 121.024542373308, - "L4": 1.52632845121382, - "L5": 1.23661057394591, - "L2": 1.45794115228584, - "L3": 1.53574325585694, - "a7": 123.460186295034, - "L1": 1.32132665241317, + "a1": 121.787312450386, + "L4": 1.51999582208207, + "L5": 1.22569294749471, + "L2": 1.4813835264002, + "L3": 1.5350936697392, + "a7": 123.058289294491, + "L1": 1.33608736780849, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.928928967111, - "bs": 15.0, - "a2": 110.072275573492, - "a5": 120.462154486319, + "omep": 6.77696676104057, + "ss": "-", + "a3": 114.617254399673, + "bs": 16.0, + "a2": 104.142085461025, + "a5": 119.856283122493, "sidechain_LEU": null, "chainIndex": 125, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.040367133358 + "a4": 107.089251604496 } }, { "pk": 644, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.174704285038, - "psi": 138.232912623303, + "a6": 115.861876050084, + "psi": 143.885410484674, "oldID": "126", - "bg": 14.48, + "bg": 16.23, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.7155940129245, + "zeta": 33.6362410676915, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 56, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 645, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 643, "terminal_flag": false, - "phi": -120.86195783123, - "chainID": "A", + "phi": -137.083536610081, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.743316409908, - "chi2": null, - "chi3": null, - "chi1": -62.0623417653632, - "chi4": null, - "chi5": null, - "a1": 120.451400400184, - "L4": 1.52603439069356, - "L5": 1.24850005629734, - "L2": 1.44090594293032, - "L3": 1.53784275089943, - "a7": 123.4443775007, - "L1": 1.33117882831562, - "sidechain_ARG": null, + "ome": -177.684186870052, + "chi2": -72.1942062906375, + "chi3": -178.060417422296, + "chi1": -66.3620938327395, + "chi4": -91.2741283400082, + "chi5": 2.00115858402363, + "a1": 119.941161576486, + "L4": 1.52560422348899, + "L5": 1.21563517848454, + "L2": 1.47379300714335, + "L3": 1.53589977519584, + "a7": 123.210309949786, + "L1": 1.32485170567967, + "sidechain_ARG": 30, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.625953939185, - "bs": 14.0, - "a2": 114.438635470505, - "a5": 121.35937966566, + "a3": 112.706117609136, + "bs": 17.0, + "a2": 110.087509964894, + "a5": 120.923388651871, "sidechain_LEU": null, "chainIndex": 126, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.617246592981 + "a4": 110.667321204444 } }, { "pk": 645, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.93788513598, - "psi": 149.892548480084, + "a6": 116.596907758545, + "psi": 139.8892336236, "oldID": "127", - "bg": 0.0, + "bg": 13.47, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 37.4602834004295, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 33, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 646, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 644, "terminal_flag": false, - "phi": 121.155721012626, - "chainID": "A", + "phi": -98.8361434127688, + "chainID": "B", "sidechain_GLN": null, - "ome": -8.00109049611481, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 174.565284387085, + "chi2": -171.555761751859, + "chi3": 75.7424829646339, + "chi1": -168.337337695273, + "chi4": 79.329468444332, "chi5": null, - "a1": 121.980784730572, - "L4": 1.51279167674318, - "L5": 1.23166929103317, - "L2": 1.44498691342329, - "L3": null, - "a7": 122.006140322432, - "L1": 1.32865224298784, + "a1": 122.946839803962, + "L4": 1.52559501465611, + "L5": 1.2226437778483, + "L2": 1.44694087087915, + "L3": 1.53131794059173, + "a7": 122.794652774371, + "L1": 1.32663327062056, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 115.177813706272, - "bs": 0.0, - "a2": null, - "a5": 119.910008898737, + "ss": "E", + "a3": 111.464100409605, + "bs": 14.0, + "a2": 108.67996242154, + "a5": 120.55368470749, "sidechain_LEU": null, "chainIndex": 127, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 107.169047461273 } }, { "pk": 646, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.634369174816, - "psi": 139.010164068173, + "a6": 117.655759973625, + "psi": 151.782082960304, "oldID": "128", - "bg": 15.03, + "bg": 16.79, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.3197950321879, + "zeta": 35.3091286615034, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 53, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 647, - "sidechain_SER": 26, - "bm": 15.0, + "sidechain_SER": null, + "bm": 17.0, "xpr": false, "prev": 645, "terminal_flag": false, - "phi": -162.48934697747, - "chainID": "A", + "phi": -72.1475546866004, + "chainID": "B", "sidechain_GLN": null, - "ome": 172.657080450725, + "ome": -176.120565722885, "chi2": null, "chi3": null, - "chi1": 173.783325998817, + "chi1": 72.0742593651213, "chi4": null, "chi5": null, - "a1": 123.766899832173, - "L4": 1.52676321193979, - "L5": 1.23561459448383, - "L2": 1.47913114487072, - "L3": 1.5204504243141, - "a7": 123.56513593125, - "L1": 1.33706449201875, + "a1": 121.021164139804, + "L4": 1.54398026548479, + "L5": 1.23543837151276, + "L2": 1.460291357829, + "L3": 1.53628752721445, + "a7": 121.540015204566, + "L1": 1.3323548524114, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.214353584426, - "bs": 15.0, - "a2": 111.614696421295, - "a5": 120.791675793701, + "a3": 106.979523556449, + "bs": 17.0, + "a2": 110.684054380515, + "a5": 120.801069120394, "sidechain_LEU": null, "chainIndex": 128, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.248176860496 + "a4": 109.278982781571 } }, { @@ -102242,16 +90138,16 @@ "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.573942213711, - "psi": -12.1357216910744, + "a6": 116.358747502488, + "psi": -46.649617564115, "oldID": "129", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.7980312700295, + "zeta": 34.1144587384839, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102260,59 +90156,59 @@ "sidechain_TRP": null, "next": 648, "sidechain_SER": null, - "bm": 14.0, + "bm": 19.0, "xpr": false, "prev": 646, "terminal_flag": false, - "phi": -63.032515082521, - "chainID": "A", + "phi": -58.1562539392342, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.574866435844, + "ome": -167.308501618426, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 122.916223940872, - "L4": 1.53446677847862, - "L5": 1.21844981335066, - "L2": 1.45367003761538, - "L3": 1.52767680378291, - "a7": 122.384682754048, - "L1": 1.33530785564883, + "a1": 119.77245511484, + "L4": 1.52166915627766, + "L5": 1.23728206197331, + "L2": 1.46168776872559, + "L3": 1.53925604054096, + "a7": 122.410807880148, + "L1": 1.32218360205749, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 111.586411453535, - "bs": 14.0, - "a2": 109.828060281324, - "a5": 119.966029949232, + "a3": 115.378178240512, + "bs": 20.0, + "a2": 110.092649568578, + "a5": 121.229963422451, "sidechain_LEU": null, "chainIndex": 129, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.659926197171 + "a4": 109.222400428077 } }, { "pk": 648, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.694617805313, - "psi": -17.6984156469672, + "a6": 118.128994055061, + "psi": -3.40065621922623, "oldID": "130", - "bg": 0.0, + "bg": 21.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.3751729241716, + "zeta": 32.9234514569824, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102321,120 +90217,120 @@ "sidechain_TRP": null, "next": 649, "sidechain_SER": null, - "bm": 15.0, + "bm": 20.0, "xpr": false, "prev": 647, "terminal_flag": false, - "phi": -74.4357576955203, - "chainID": "A", + "phi": -79.9395217389294, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.49297285081, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -177.774201193229, + "chi2": 79.4565254579097, + "chi3": -7.93424351125093, + "chi1": -58.4378097479503, "chi4": null, "chi5": null, - "a1": 120.818483077304, - "L4": 1.54019918236475, - "L5": 1.23933775710593, - "L2": 1.45976323468574, - "L3": 1.52706284096717, - "a7": 123.097085722424, - "L1": 1.33371523485674, + "a1": 119.630010305112, + "L4": 1.54804236287125, + "L5": 1.22905067060335, + "L2": 1.45400840650926, + "L3": 1.53406256048206, + "a7": 122.097876158245, + "L1": 1.32282600492901, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 59, "omep": null, "ss": "T", - "a3": 113.512186923826, - "bs": 15.0, - "a2": 109.941283617384, - "a5": 120.188331855649, + "a3": 117.749699262912, + "bs": 21.0, + "a2": 108.374813113227, + "a5": 119.749800687823, "sidechain_LEU": null, "chainIndex": 130, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.454732554439 + "a4": 111.396898432827 } }, { "pk": 649, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.406964464031, - "psi": 156.615064824963, + "a6": 116.222828293681, + "psi": -172.738642861164, "oldID": "131", - "bg": 18.34, + "bg": 16.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.9172447223493, + "zeta": 35.1903649025699, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 14, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 650, - "sidechain_SER": null, - "bm": 15.0, + "sidechain_SER": 23, + "bm": 16.0, "xpr": false, "prev": 648, "terminal_flag": false, - "phi": -83.5142482948513, - "chainID": "A", + "phi": -161.622524495676, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.748226706197, - "chi2": -170.429219840834, - "chi3": -67.9029587320108, - "chi1": -72.6655833714799, + "ome": 179.122667787184, + "chi2": null, + "chi3": null, + "chi1": 78.7640149589477, "chi4": null, "chi5": null, - "a1": 121.073301790546, - "L4": 1.52473096892489, - "L5": 1.23158444684417, - "L2": 1.46252999107014, - "L3": 1.5350929160522, - "a7": 122.861452353906, - "L1": 1.32971770652937, + "a1": 121.191868086291, + "L4": 1.51482837630058, + "L5": 1.23906570244431, + "L2": 1.45759881834719, + "L3": 1.52978751904654, + "a7": 123.52176398975, + "L1": 1.33144995330579, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 113.619439967341, - "bs": 18.0, - "a2": 111.143256230838, - "a5": 120.719507054959, + "a3": 109.341696886586, + "bs": 16.0, + "a2": 110.642062043341, + "a5": 120.246053558845, "sidechain_LEU": null, "chainIndex": 131, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.297346732559 + "a4": 109.018106746196 } }, { "pk": 650, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 39, - "a6": 116.669579764836, - "psi": 159.970625129023, + "sidechain_ASN": 21, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 117.166693251758, + "psi": 3.44829072492204, "oldID": "132", - "bg": 20.48, + "bg": 18.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9113585130512, + "zeta": 34.1415588462371, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102447,55 +90343,55 @@ "xpr": false, "prev": 649, "terminal_flag": false, - "phi": -68.9967403206612, - "chainID": "A", + "phi": -88.186521025259, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.778130101426, - "chi2": -16.4263764749788, + "ome": 179.991997610213, + "chi2": 1.22961803165065, "chi3": null, - "chi1": -67.6169947949656, + "chi1": -75.0988847270532, "chi4": null, "chi5": null, - "a1": 120.149665262009, - "L4": 1.52847380213725, - "L5": 1.22455602873152, - "L2": 1.46357984372645, - "L3": 1.52700229001474, - "a7": 122.960571203174, - "L1": 1.33218831351564, + "a1": 121.262536901554, + "L4": 1.51608879151449, + "L5": 1.2268764545888, + "L2": 1.45560049233241, + "L3": 1.52187840887755, + "a7": 122.900323141954, + "L1": 1.33085256013363, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.683928311727, - "bs": 19.0, - "a2": 111.735184024404, - "a5": 120.325824743204, + "ss": "S", + "a3": 113.177425865466, + "bs": 18.0, + "a2": 111.373828383732, + "a5": 119.926181093263, "sidechain_LEU": null, "chainIndex": 132, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.055376111478 + "a4": 108.521528622558 } }, { "pk": 651, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "q", "sidechain_PRO": null, - "sidechain_ASN": 24, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.507374667541, - "psi": -43.1552416913376, + "a6": 115.879907958953, + "psi": 136.857435827022, "oldID": "133", - "bg": 14.48, + "bg": 17.06, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1684952723445, + "zeta": 34.4152063067945, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102508,59 +90404,59 @@ "xpr": false, "prev": 650, "terminal_flag": false, - "phi": -52.225076857341, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.319112362687, - "chi2": -35.1223799433726, - "chi3": null, - "chi1": -77.5796726680144, + "phi": -61.5003834810194, + "chainID": "B", + "sidechain_GLN": 30, + "ome": 179.787872247047, + "chi2": 169.024859715626, + "chi3": -31.7179413791823, + "chi1": -163.019575639811, "chi4": null, "chi5": null, - "a1": 121.603509075264, - "L4": 1.53071037911091, - "L5": 1.2370860170644, - "L2": 1.46609144845657, - "L3": 1.52580621966449, - "a7": 122.158658264481, - "L1": 1.32060744991052, + "a1": 119.331783816881, + "L4": 1.50847883921952, + "L5": 1.23300468011646, + "L2": 1.45040272652508, + "L3": 1.52444163127978, + "a7": 123.963030103178, + "L1": 1.32707226565071, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.619102625349, - "bs": 14.0, - "a2": 108.968392480986, - "a5": 122.270053574718, + "ss": "-", + "a3": 111.526182428091, + "bs": 17.0, + "a2": 111.650475689609, + "a5": 120.081417648255, "sidechain_LEU": null, "chainIndex": 133, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.620816863847 + "a4": 108.495903917399 } }, { "pk": 652, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.233511940019, - "psi": -31.684561491343, + "a6": 117.210569005329, + "psi": 150.918290180112, "oldID": "134", - "bg": 15.29, + "bg": 17.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.3720201450603, + "zeta": 34.1799848170905, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 14, "sidechain_THR": null, "sidechain_TRP": null, "next": 653, @@ -102569,55 +90465,55 @@ "xpr": false, "prev": 651, "terminal_flag": false, - "phi": -71.6567679991395, - "chainID": "A", + "phi": -125.07974998299, + "chainID": "B", "sidechain_GLN": null, - "ome": 172.681370552359, - "chi2": 72.3004748816323, - "chi3": 18.7173046214351, - "chi1": -62.638333545079, + "ome": 178.301430897544, + "chi2": 175.564810478156, + "chi3": -64.6073601367003, + "chi1": -68.6236691711525, "chi4": null, "chi5": null, - "a1": 120.270189460404, - "L4": 1.53965851450294, - "L5": 1.24636814379824, - "L2": 1.4687049496757, - "L3": 1.53825926621741, - "a7": 122.865206988671, - "L1": 1.32191838625328, + "a1": 122.608101730452, + "L4": 1.52952462417549, + "L5": 1.22426543442691, + "L2": 1.4587578390184, + "L3": 1.52221182528521, + "a7": 121.725449885461, + "L1": 1.32499488672787, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 60, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.88713067093, - "bs": 15.0, - "a2": 110.0662354983, - "a5": 120.879135511447, + "ss": "E", + "a3": 112.520888097089, + "bs": 17.0, + "a2": 109.851531415721, + "a5": 121.063865770664, "sidechain_LEU": null, "chainIndex": 134, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.403653927181 + "a4": 110.141449468951 } }, { "pk": 653, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.317663627493, - "psi": -43.2878702330344, + "a6": 115.792048273928, + "psi": 165.79234607626, "oldID": "135", - "bg": 14.25, + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.1611685816889, + "zeta": 33.0559654180813, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102626,181 +90522,181 @@ "sidechain_TRP": null, "next": 654, "sidechain_SER": null, - "bm": 12.0, + "bm": 16.0, "xpr": false, "prev": 652, "terminal_flag": false, - "phi": -71.40444460835, - "chainID": "A", + "phi": -147.054565116043, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.50670839511, - "chi2": 171.181688530636, - "chi3": -39.8442565475658, - "chi1": -60.9015022183849, + "ome": -177.517501296336, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.304345882938, - "L4": 1.53039767064047, - "L5": 1.22908253021616, - "L2": 1.46222798178061, - "L3": 1.54193669899036, - "a7": 122.473757477488, - "L1": 1.33559756317822, + "a1": 120.693227395981, + "L4": 1.51803822064905, + "L5": 1.22663061665458, + "L2": 1.45918406377403, + "L3": 1.5459410881484, + "a7": 123.994931271917, + "L1": 1.32994574496973, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 61, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.89890677205, - "bs": 14.0, - "a2": 111.41215961521, - "a5": 120.201708712871, + "ss": "E", + "a3": 109.775267466725, + "bs": 17.0, + "a2": 111.302805026364, + "a5": 120.202731849173, "sidechain_LEU": null, "chainIndex": 135, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.009098834038 + "a4": 111.495915010119 } }, { "pk": 654, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.151645452518, - "psi": -42.8512686826626, + "a6": 116.744178154742, + "psi": -179.57237905531, "oldID": "136", - "bg": 15.72, - "sidechain_CYS": 11, + "bg": 14.19, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.3505793980675, + "zeta": 35.533579091876, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 34, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 655, "sidechain_SER": null, - "bm": 13.0, + "bm": 15.0, "xpr": false, "prev": 653, "terminal_flag": false, - "phi": -58.4054832508078, - "chainID": "A", + "phi": -173.852859130455, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.310205912734, - "chi2": null, - "chi3": null, - "chi1": -74.072095028187, - "chi4": null, + "ome": 176.274834035085, + "chi2": 169.695997426191, + "chi3": -165.72684654556, + "chi1": 64.3892454754282, + "chi4": 62.888396504833, "chi5": null, - "a1": 121.107467780841, - "L4": 1.52726895347155, - "L5": 1.23853223111443, - "L2": 1.45873048249007, - "L3": 1.51941011079018, - "a7": 122.441060192657, - "L1": 1.33064875942418, + "a1": 124.694751189317, + "L4": 1.52896906329747, + "L5": 1.23403487877421, + "L2": 1.4564952432965, + "L3": 1.53989777644267, + "a7": 123.047769755265, + "L1": 1.329067107232, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.754146777763, - "bs": 15.0, - "a2": 109.905014515017, - "a5": 121.391579526031, + "ss": "-", + "a3": 105.362082165513, + "bs": 14.0, + "a2": 110.422000562161, + "a5": 120.185082373941, "sidechain_LEU": null, "chainIndex": 136, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.930911071473 + "a4": 109.754145616505 } }, { "pk": 655, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.771285093784, - "psi": -46.227904579395, + "a6": 116.863349337111, + "psi": 129.701933286726, "oldID": "137", - "bg": 14.39, - "sidechain_CYS": null, + "bg": 16.72, + "sidechain_CYS": 14, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.510256568834, + "zeta": 36.7822591143819, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 7, + "sidechain_TRP": null, "next": 656, "sidechain_SER": null, - "bm": 13.0, + "bm": 16.0, "xpr": false, "prev": 654, "terminal_flag": false, - "phi": -68.3817542677755, - "chainID": "A", + "phi": -46.2396414685953, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.947054590121, - "chi2": 94.4656792548839, + "ome": 176.826295312149, + "chi2": null, "chi3": null, - "chi1": -169.054272415738, + "chi1": 167.375430934491, "chi4": null, "chi5": null, - "a1": 118.973082580261, - "L4": 1.50375052082103, - "L5": 1.23475230225959, - "L2": 1.45245763828809, - "L3": 1.53455283759215, - "a7": 121.862203364586, - "L1": 1.32259558771026, + "a1": 123.793456941728, + "L4": 1.52721432843373, + "L5": 1.24375639948123, + "L2": 1.45327687624902, + "L3": 1.53192161129471, + "a7": 122.706767389538, + "L1": 1.3343324514593, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.763272903363, - "bs": 15.0, - "a2": 112.986591995622, - "a5": 120.356069638364, + "ss": "-", + "a3": 111.739775556377, + "bs": 16.0, + "a2": 107.62819391628, + "a5": 120.426068491109, "sidechain_LEU": null, "chainIndex": 137, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.767064799756 + "a4": 109.104622616314 } }, { "pk": 656, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.130984307405, - "psi": -25.7419582983867, + "chain": "1H0HB", + "sidechain_ASP": 43, + "a6": 115.323320677156, + "psi": 23.1819199135035, "oldID": "138", - "bg": 13.96, + "bg": 16.69, "sidechain_CYS": null, - "sidechain_ILE": 33, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 30.1155667494064, + "zeta": 32.2890101290788, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102809,120 +90705,120 @@ "sidechain_TRP": null, "next": 657, "sidechain_SER": null, - "bm": 13.0, + "bm": 17.0, "xpr": false, "prev": 655, "terminal_flag": false, - "phi": -69.2477691094309, - "chainID": "A", + "phi": -106.805650015791, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.715485608029, - "chi2": 159.985751891304, + "ome": -177.693515360931, + "chi2": -4.93584291741588, "chi3": null, - "chi1": 65.8318441110083, + "chi1": 69.5845619473124, "chi4": null, "chi5": null, - "a1": 116.059710903007, - "L4": 1.52690033537822, - "L5": 1.24514458870651, - "L2": 1.44334036389554, - "L3": 1.55449468537376, - "a7": 123.237972655072, - "L1": 1.32213620769236, + "a1": 120.29416047146, + "L4": 1.53246878488506, + "L5": 1.24038290040802, + "L2": 1.45922104282257, + "L3": 1.53094213035787, + "a7": 123.519913428219, + "L1": 1.33442331175527, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.761270487874, - "bs": 14.0, - "a2": 113.740727474702, - "a5": 118.612458539579, + "ss": "-", + "a3": 112.459066089794, + "bs": 16.0, + "a2": 111.35259514973, + "a5": 121.156694444154, "sidechain_LEU": null, "chainIndex": 138, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.832099549887 + "a4": 111.297516462553 } }, { "pk": 657, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.394971623867, - "psi": -49.1028682809461, + "a6": 117.746076326538, + "psi": 22.2940482167062, "oldID": "139", - "bg": 13.65, + "bg": 17.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.1071948170809, + "zeta": 34.6151306912435, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 15, "sidechain_THR": null, "sidechain_TRP": null, "next": 658, "sidechain_SER": null, - "bm": 14.0, + "bm": 17.0, "xpr": false, "prev": 656, "terminal_flag": false, - "phi": -66.1754208691484, - "chainID": "A", + "phi": 54.3993175899585, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.979792682501, - "chi2": 43.0654717553216, - "chi3": null, - "chi1": -169.2450475758, + "ome": -173.788173011211, + "chi2": -170.587693668203, + "chi3": -92.4273042688029, + "chi1": -153.368213830343, "chi4": null, "chi5": null, - "a1": 120.894341597271, - "L4": 1.54288961897835, - "L5": 1.23504090314783, - "L2": 1.46088958807002, - "L3": 1.55081492256381, - "a7": 122.006480875112, - "L1": 1.34207006836849, + "a1": 122.282363431138, + "L4": 1.53541436419492, + "L5": 1.22717909627449, + "L2": 1.46646897002676, + "L3": 1.55862611144788, + "a7": 122.23597008866, + "L1": 1.32851316306143, "sidechain_ARG": null, - "sidechain_TYR": 19, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.658030646737, - "bs": 13.0, - "a2": 112.396405906149, - "a5": 120.587357744837, + "ss": "T", + "a3": 110.860680729766, + "bs": 17.0, + "a2": 110.19490672676, + "a5": 120.015832633949, "sidechain_LEU": null, "chainIndex": 139, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.258662375642 + "a4": 110.042684213023 } }, { "pk": 658, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.095161085886, - "psi": -35.7292731574975, + "a6": 115.923822123209, + "psi": 50.4561907150654, "oldID": "140", - "bg": 13.0, - "sidechain_CYS": null, + "bg": 17.48, + "sidechain_CYS": 15, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.185236765856, + "zeta": 34.4344097512338, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102931,59 +90827,59 @@ "sidechain_TRP": null, "next": 659, "sidechain_SER": null, - "bm": 12.0, + "bm": 16.0, "xpr": false, "prev": 657, "terminal_flag": false, - "phi": -65.5953272103925, - "chainID": "A", - "sidechain_GLN": 29, - "ome": 178.790392567885, - "chi2": 83.9053571807537, - "chi3": 35.2764970719442, - "chi1": 64.7385778199408, + "phi": 46.2783971659298, + "chainID": "B", + "sidechain_GLN": null, + "ome": -175.811331459366, + "chi2": null, + "chi3": null, + "chi1": -75.6176725090798, "chi4": null, "chi5": null, - "a1": 119.141934489878, - "L4": 1.51403826446025, - "L5": 1.21334120055161, - "L2": 1.46369882301702, - "L3": 1.53169048118084, - "a7": 122.811649976482, - "L1": 1.32885583926835, + "a1": 120.358046087632, + "L4": 1.53820564857556, + "L5": 1.2529154387222, + "L2": 1.45281500690067, + "L3": 1.54902552919189, + "a7": 122.40727266432, + "L1": 1.3272826047552, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.366801988211, - "bs": 14.0, - "a2": 113.259090728438, - "a5": 120.092037581784, + "ss": "T", + "a3": 109.504025205403, + "bs": 16.0, + "a2": 110.138721715456, + "a5": 121.667859777443, "sidechain_LEU": null, "chainIndex": 140, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.947502477834 + "a4": 110.731871796876 } }, { "pk": 659, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.040608640485, - "psi": -49.2175566922732, + "a6": 117.580647184906, + "psi": -42.1552143782075, "oldID": "141", - "bg": 0.0, + "bg": 19.37, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 34, "protein": "1H0H", - "zeta": 33.9951964208221, + "zeta": 31.5592078688544, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -102992,120 +90888,120 @@ "sidechain_TRP": null, "next": 660, "sidechain_SER": null, - "bm": 13.0, + "bm": 15.0, "xpr": false, "prev": 658, "terminal_flag": false, - "phi": -60.7072375328172, - "chainID": "A", + "phi": -50.5701362811493, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.797142661956, - "chi2": null, + "ome": 177.97449702039, + "chi2": 58.1808523543072, "chi3": null, - "chi1": null, + "chi1": -171.800373376769, "chi4": null, "chi5": null, - "a1": 120.268734208141, - "L4": 1.5363926472939, - "L5": 1.24151786355733, - "L2": 1.4533949090287, - "L3": 1.53213341608472, - "a7": 123.376336725756, - "L1": 1.32975479723429, + "a1": 121.055163552492, + "L4": 1.53905205814252, + "L5": 1.23260850600097, + "L2": 1.44438499278103, + "L3": 1.56547555911842, + "a7": 122.258532274078, + "L1": 1.33608745021537, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.261537427394, - "bs": 15.0, - "a2": 110.432426942618, - "a5": 120.509643218011, + "a3": 113.612307975747, + "bs": 18.0, + "a2": 110.857782556408, + "a5": 120.160279605307, "sidechain_LEU": null, "chainIndex": 141, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.64461041188 + "a4": 112.66783067968 } }, { "pk": 660, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.001952975354, - "psi": -52.7009136678901, + "chain": "1H0HB", + "sidechain_ASP": 44, + "a6": 117.130279961512, + "psi": -42.0598364425325, "oldID": "142", - "bg": 15.68, + "bg": 18.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.2685983770522, + "zeta": 32.7885757255021, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 8, + "sidechain_TRP": null, "next": 661, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 659, "terminal_flag": false, - "phi": -57.0763037702407, - "chainID": "A", + "phi": -62.3926310870324, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.936564938693, - "chi2": 45.7076850500776, + "ome": 177.430101289586, + "chi2": -26.3063703435942, "chi3": null, - "chi1": -176.114116712752, + "chi1": 54.5796879944639, "chi4": null, "chi5": null, - "a1": 121.918454525601, - "L4": 1.51244757314006, - "L5": 1.21949610433384, - "L2": 1.44577139454816, - "L3": 1.54522505182571, - "a7": 122.220733951659, - "L1": 1.32969029685242, + "a1": 120.778184534341, + "L4": 1.52717660163753, + "L5": 1.24024643912822, + "L2": 1.44938109044928, + "L3": 1.53066365850721, + "a7": 122.858623443386, + "L1": 1.33220597486364, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.722454610376, - "bs": 15.0, - "a2": 111.873303815349, - "a5": 120.761411232071, + "a3": 114.639654408793, + "bs": 18.0, + "a2": 112.019892390621, + "a5": 120.008727629315, "sidechain_LEU": null, "chainIndex": 142, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.3941754191 + "a4": 109.199634782645 } }, { "pk": 661, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.265255309803, - "psi": -40.657057254279, + "a6": 116.895184634924, + "psi": -43.6650068955583, "oldID": "143", - "bg": 13.69, + "bg": 15.26, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.9264270479096, + "zeta": 35.5681183643315, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103114,59 +91010,59 @@ "sidechain_TRP": null, "next": 662, "sidechain_SER": null, - "bm": 13.0, + "bm": 15.0, "xpr": false, "prev": 660, "terminal_flag": false, - "phi": -59.2188178013542, - "chainID": "A", + "phi": -66.0608684977955, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.336684097241, - "chi2": 174.569244278413, - "chi3": null, - "chi1": -62.0542836867951, - "chi4": null, - "chi5": null, - "a1": 120.877000100838, - "L4": 1.52590975296432, - "L5": 1.23566538696464, - "L2": 1.46358950671403, - "L3": 1.53788470555588, - "a7": 122.563502699175, - "L1": 1.32549352684296, - "sidechain_ARG": null, + "ome": -172.317546864464, + "chi2": 177.425200268269, + "chi3": 70.9512567405486, + "chi1": -66.9273362342784, + "chi4": 86.0769079206013, + "chi5": 0.106274616912779, + "a1": 120.393283848786, + "L4": 1.53411848179673, + "L5": 1.22889349514752, + "L2": 1.45899182773091, + "L3": 1.53662256728243, + "a7": 122.848604995994, + "L1": 1.32786050438519, + "sidechain_ARG": 31, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.993986259897, - "bs": 14.0, - "a2": 110.288672433636, - "a5": 120.164331090904, - "sidechain_LEU": 55, + "a3": 111.935119704246, + "bs": 15.0, + "a2": 110.257443139918, + "a5": 120.246364014966, + "sidechain_LEU": null, "chainIndex": 143, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.053339617733 + "a4": 108.101894302806 } }, { "pk": 662, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.014798228404, - "psi": -35.2832236987229, + "a6": 116.101520063044, + "psi": -13.8772738644786, "oldID": "144", - "bg": 16.11, + "bg": 16.7, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 35, "protein": "1H0H", - "zeta": 30.9404095807875, + "zeta": 30.3303905938811, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103175,120 +91071,120 @@ "sidechain_TRP": null, "next": 663, "sidechain_SER": null, - "bm": 13.0, + "bm": 14.0, "xpr": false, "prev": 661, "terminal_flag": false, - "phi": -68.9637012189461, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.921149806077, - "chi2": 167.504955498543, - "chi3": 169.518614386737, - "chi1": -73.9164909540897, - "chi4": 144.268938647945, - "chi5": 0.508245495169461, - "a1": 118.923461471898, - "L4": 1.52213722202697, - "L5": 1.2267644954176, - "L2": 1.44972673007638, - "L3": 1.52065077536245, - "a7": 122.960192211477, - "L1": 1.33258178692599, - "sidechain_ARG": 32, + "phi": -75.3551697077641, + "chainID": "B", + "sidechain_GLN": null, + "ome": 176.682802233638, + "chi2": 174.940435327386, + "chi3": null, + "chi1": 66.0757237240707, + "chi4": null, + "chi5": null, + "a1": 120.370359779381, + "L4": 1.52686573392148, + "L5": 1.22934699249404, + "L2": 1.45546865824618, + "L3": 1.55451670483557, + "a7": 122.701668175945, + "L1": 1.3340998062717, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.682883783108, - "bs": 15.0, - "a2": 110.595158660115, - "a5": 119.970437337018, + "a3": 114.785173730655, + "bs": 16.0, + "a2": 112.368436501247, + "a5": 121.192398022967, "sidechain_LEU": null, "chainIndex": 144, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.160031683281 + "a4": 112.056099561607 } }, { "pk": 663, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.948450419019, - "psi": -26.9775553701733, + "a6": 117.057080260597, + "psi": 7.4538288392694, "oldID": "145", - "bg": 16.38, + "bg": 16.32, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.4791470863629, + "zeta": 34.3545711005541, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 30, "sidechain_TRP": null, "next": 664, - "sidechain_SER": 27, - "bm": 14.0, + "sidechain_SER": null, + "bm": 15.0, "xpr": false, "prev": 662, "terminal_flag": false, - "phi": -64.173979179154, - "chainID": "A", + "phi": -104.511575327639, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.323246307811, + "ome": 178.714773075731, "chi2": null, "chi3": null, - "chi1": 74.7284825744827, + "chi1": 54.3589550115111, "chi4": null, "chi5": null, - "a1": 121.022261176242, - "L4": 1.51318211460169, - "L5": 1.24103856338261, - "L2": 1.45729336518057, - "L3": 1.53669505923849, - "a7": 123.522225956706, - "L1": 1.33117667179533, + "a1": 120.538635646604, + "L4": 1.50961077669548, + "L5": 1.22080431145669, + "L2": 1.4437711776077, + "L3": 1.54413067023766, + "a7": 122.951343640789, + "L1": 1.32343870280921, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.06140209939, + "ss": "T", + "a3": 107.936656186672, "bs": 15.0, - "a2": 112.134773115016, - "a5": 120.521518171058, + "a2": 110.991693326926, + "a5": 119.979386111526, "sidechain_LEU": null, "chainIndex": 145, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.666082933628 + "a4": 110.623283233501 } }, { "pk": 664, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 22, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.356384441392, - "psi": -11.1303569899182, + "a6": 116.234883463982, + "psi": 31.7264114010238, "oldID": "146", - "bg": 16.07, + "bg": 18.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.7344808784832, + "zeta": 32.6455705563427, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103297,40 +91193,40 @@ "sidechain_TRP": null, "next": 665, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 663, "terminal_flag": false, - "phi": -79.6237199846659, - "chainID": "A", + "phi": -128.649529174445, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.641791168313, - "chi2": 174.619241721092, + "ome": 175.603991752382, + "chi2": -75.1467622408979, "chi3": null, - "chi1": -67.3650427462009, + "chi1": -79.2702418480967, "chi4": null, "chi5": null, - "a1": 120.959631767601, - "L4": 1.52423724136688, - "L5": 1.23894335128695, - "L2": 1.45557884976521, - "L3": 1.52427178213505, - "a7": 123.009303306353, - "L1": 1.3384246295716, + "a1": 121.569642278541, + "L4": 1.5331525367258, + "L5": 1.23159249645865, + "L2": 1.46915192640017, + "L3": 1.53909619855275, + "a7": 123.201946969258, + "L1": 1.33064664476546, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 112.693280618814, - "bs": 16.0, - "a2": 110.811723171547, - "a5": 120.60551728134, - "sidechain_LEU": 56, + "a3": 112.517425038678, + "bs": 17.0, + "a2": 111.871312430507, + "a5": 120.562379794774, + "sidechain_LEU": null, "chainIndex": 146, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.416949253726 + "a4": 110.295412743117 } }, { @@ -103340,10 +91236,10 @@ "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.676084551435, - "psi": 10.7867585498281, + "a6": 118.120867739776, + "psi": 13.380853956851, "oldID": "147", "bg": 0.0, "sidechain_CYS": null, @@ -103358,35 +91254,35 @@ "sidechain_TRP": null, "next": 666, "sidechain_SER": null, - "bm": 15.0, + "bm": 17.0, "xpr": false, "prev": 664, "terminal_flag": false, - "phi": 91.0743055851572, - "chainID": "A", + "phi": 76.7731683299776, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.369769290764, + "ome": 179.181737147324, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.455609980266, - "L4": 1.52400216931505, - "L5": 1.23872121282738, - "L2": 1.45572492964205, + "a1": 122.325429556455, + "L4": 1.51786437262096, + "L5": 1.22286848834441, + "L2": 1.44855841838123, "L3": null, - "a7": 121.967479187858, - "L1": 1.32513912186096, + "a7": 122.651917765976, + "L1": 1.33276211799471, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 114.958806329305, + "a3": 118.140869119293, "bs": 0.0, "a2": null, - "a5": 120.329949920214, + "a5": 119.226653574527, "sidechain_LEU": null, "chainIndex": 147, "sidechain_HIS": null, @@ -103401,16 +91297,16 @@ "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.805391747024, - "psi": 142.541638977039, + "a6": 116.815292807707, + "psi": 165.741813312849, "oldID": "148", - "bg": 15.7, + "bg": 19.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.7290038527559, + "zeta": 35.1693512611523, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103419,60 +91315,60 @@ "sidechain_TRP": null, "next": 667, "sidechain_SER": null, - "bm": 13.0, + "bm": 17.0, "xpr": false, "prev": 665, "terminal_flag": false, - "phi": -67.8328955733863, - "chainID": "A", + "phi": -118.219436924404, + "chainID": "B", "sidechain_GLN": null, - "ome": 173.97829437385, - "chi2": 78.0910141910958, + "ome": 174.333800704677, + "chi2": 167.100546840238, "chi3": null, - "chi1": -91.5531806233779, + "chi1": -62.2942881709522, "chi4": null, "chi5": null, - "a1": 120.170430574609, - "L4": 1.52271592589518, - "L5": 1.23965014968322, - "L2": 1.47329225390061, - "L3": 1.53080405247951, - "a7": 122.903201508567, - "L1": 1.32655761008758, + "a1": 121.361478701796, + "L4": 1.52321886478095, + "L5": 1.21359947983325, + "L2": 1.45505603495219, + "L3": 1.52868347963878, + "a7": 122.564800258632, + "L1": 1.32829213966766, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 113.343796465983, - "bs": 15.0, - "a2": 110.937202766128, - "a5": 121.285895118599, - "sidechain_LEU": 57, + "ss": "-", + "a3": 110.007858495062, + "bs": 19.0, + "a2": 110.33934194335, + "a5": 120.619846702214, + "sidechain_LEU": 53, "chainIndex": 148, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.688199711643 + "a4": 109.126341320069 } }, { "pk": 667, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.342303438404, - "psi": -28.6579120971546, + "a6": 118.909284428751, + "psi": 166.25935317163, "oldID": "149", - "bg": 14.97, + "bg": 20.25, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.9448356842587, - "sidechain_PHE": 23, + "zeta": 35.376548513117, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -103480,59 +91376,59 @@ "sidechain_TRP": null, "next": 668, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 666, "terminal_flag": false, - "phi": -121.232276444224, - "chainID": "A", + "phi": -95.2869285818239, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.254943895387, - "chi2": 88.5068825981657, - "chi3": null, - "chi1": -150.53662437017, - "chi4": null, - "chi5": null, - "a1": 121.281581192534, - "L4": 1.53364721383114, - "L5": 1.22863295033021, - "L2": 1.45510767709977, - "L3": 1.54820499175019, - "a7": 122.427519972915, - "L1": 1.33191593024364, - "sidechain_ARG": null, + "ome": 175.67055468621, + "chi2": 161.361941377294, + "chi3": -66.6570559194663, + "chi1": -65.9965300592765, + "chi4": 143.241387328662, + "chi5": 0.777441656611036, + "a1": 121.919932025008, + "L4": 1.5317680090361, + "L5": 1.22126743409123, + "L2": 1.46346548704867, + "L3": 1.52210147472284, + "a7": 120.982638577488, + "L1": 1.32189987878215, + "sidechain_ARG": 32, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 106.975251496235, - "bs": 14.0, - "a2": 112.499562798263, - "a5": 120.176772559404, + "a3": 109.01579985365, + "bs": 22.0, + "a2": 109.875213271761, + "a5": 120.09732485546, "sidechain_LEU": null, "chainIndex": 149, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.347139896959 + "a4": 109.353711047944 } }, { "pk": 668, "model": "pgd_core.residue", "fields": { - "aa": "y", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 40, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.732947331702, - "psi": 87.5830676220188, + "a6": 116.12346572149, + "psi": 148.443563744148, "oldID": "150", - "bg": 14.87, + "bg": 14.19, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.0178589939703, + "zeta": 38.0898808299535, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103545,55 +91441,55 @@ "xpr": false, "prev": 667, "terminal_flag": false, - "phi": -76.202378970668, - "chainID": "A", + "phi": -55.8174490273952, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.595054073707, - "chi2": -75.4912813747635, - "chi3": null, - "chi1": -72.8902882213383, - "chi4": null, + "ome": -179.155710421098, + "chi2": 41.2971216398553, + "chi3": -34.0792972726729, + "chi1": -31.6243968243594, + "chi4": 14.49941307783, "chi5": null, - "a1": 120.747551651452, - "L4": 1.54124061616523, - "L5": 1.23332703452912, - "L2": 1.47803527418382, - "L3": 1.52693163182496, - "a7": 122.462441268136, - "L1": 1.33239269326669, + "a1": 120.131621499926, + "L4": 1.52239675424124, + "L5": 1.23015820173475, + "L2": 1.46491431307214, + "L3": 1.52515477402087, + "a7": 124.293500233855, + "L1": 1.32242479295029, "sidechain_ARG": null, - "sidechain_TYR": 20, + "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -12.3761114983641, "ss": "-", - "a3": 108.99590647821, + "a3": 113.417697418301, "bs": 15.0, - "a2": 111.420001194137, - "a5": 120.79749899959, + "a2": 103.291797590429, + "a5": 119.576058464788, "sidechain_LEU": null, "chainIndex": 150, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.685837438304 + "a4": 111.018424839004 } }, { "pk": 669, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.486832807916, - "psi": 109.372846644028, + "a6": 116.89041197071, + "psi": -40.3334356486769, "oldID": "151", - "bg": 15.36, + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 34, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.910618482351, + "zeta": 33.0308175889293, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103606,55 +91502,55 @@ "xpr": false, "prev": 668, "terminal_flag": false, - "phi": -135.861839861798, - "chainID": "A", + "phi": -57.4305101178492, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.133575369054, - "chi2": 171.028499388185, + "ome": 179.752667921445, + "chi2": null, "chi3": null, - "chi1": -60.6913583938747, + "chi1": null, "chi4": null, "chi5": null, - "a1": 124.038458561736, - "L4": 1.50516671173831, - "L5": 1.24090434726355, - "L2": 1.46235136462326, - "L3": 1.54558790497681, - "a7": 123.917069662827, - "L1": 1.32563375730741, + "a1": 122.01432863189, + "L4": 1.52288983643627, + "L5": 1.23652858285696, + "L2": 1.46156539279013, + "L3": 1.45905977681334, + "a7": 122.774637474377, + "L1": 1.32835537117445, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 104.306725510373, - "bs": 15.0, - "a2": 110.874456320476, - "a5": 120.564614429833, + "ss": "H", + "a3": 113.49378911888, + "bs": 14.0, + "a2": 110.453088113489, + "a5": 120.321100183169, "sidechain_LEU": null, "chainIndex": 151, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.119253380331 + "a4": 110.082840539411 } }, { "pk": 670, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.864439772434, - "psi": 171.144242475756, + "a6": 116.888165631305, + "psi": -39.9411941284986, "oldID": "152", - "bg": 13.81, - "sidechain_CYS": null, + "bg": 18.39, + "sidechain_CYS": 16, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.2942287881465, + "zeta": 32.6126395492133, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103663,181 +91559,181 @@ "sidechain_TRP": null, "next": 671, "sidechain_SER": null, - "bm": 13.0, + "bm": 16.0, "xpr": false, "prev": 669, "terminal_flag": false, - "phi": -137.860936317507, - "chainID": "A", + "phi": -67.1570735652274, + "chainID": "B", "sidechain_GLN": null, - "ome": 170.312667770076, - "chi2": -78.7647104617865, - "chi3": -71.9456757557465, - "chi1": -72.9303141645631, + "ome": -179.843152428864, + "chi2": null, + "chi3": null, + "chi1": 55.225331979265, "chi4": null, "chi5": null, - "a1": 121.692835958596, - "L4": 1.53614070411824, - "L5": 1.21426703767334, - "L2": 1.45775650408042, - "L3": 1.53149601840986, - "a7": 122.033986521277, - "L1": 1.32287080626337, + "a1": 119.423093322639, + "L4": 1.51971710553035, + "L5": 1.22386509557815, + "L2": 1.44465414265361, + "L3": 1.53781049708522, + "a7": 122.622301678415, + "L1": 1.32989085880684, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 62, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.955542699972, - "bs": 14.0, - "a2": 107.469692456614, - "a5": 121.088016548481, + "ss": "H", + "a3": 111.805843118766, + "bs": 17.0, + "a2": 111.811317017641, + "a5": 120.480648325582, "sidechain_LEU": null, "chainIndex": 152, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.067143537349 + "a4": 110.860678565341 } }, { "pk": 671, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.396559779182, - "psi": -170.064085183301, + "a6": 116.531549834948, + "psi": -48.4269061345063, "oldID": "153", - "bg": 15.27, + "bg": 15.92, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.343219216844, + "zeta": 34.9111101583972, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 54, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 672, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 670, "terminal_flag": false, - "phi": -163.550711787585, - "chainID": "A", + "phi": -66.2525432432584, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.543381446133, + "ome": 176.564629456237, "chi2": null, "chi3": null, - "chi1": 76.1044859842559, + "chi1": 169.917498383693, "chi4": null, "chi5": null, - "a1": 121.636123191394, - "L4": 1.52581260035577, - "L5": 1.22904446598094, - "L2": 1.44443230383287, - "L3": 1.52876116692898, - "a7": 124.769733782855, - "L1": 1.33407669841616, + "a1": 122.450083912414, + "L4": 1.50695157841697, + "L5": 1.22490868783002, + "L2": 1.45530898284278, + "L3": 1.54229294889866, + "a7": 122.381147371079, + "L1": 1.31669298466389, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.50058928287, + "ss": "H", + "a3": 110.952029883692, "bs": 15.0, - "a2": 112.316408944308, - "a5": 119.779208764102, + "a2": 109.88706330038, + "a5": 121.087175838357, "sidechain_LEU": null, "chainIndex": 153, - "sidechain_HIS": 27, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.441443251773 + "a4": 109.948671593948 } }, { "pk": 672, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.91600460664, - "psi": -55.9169970026769, + "a6": 116.175183306099, + "psi": -39.5458666688294, "oldID": "154", - "bg": 16.43, + "bg": 23.88, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 37.144804611602, + "zeta": 35.5866556215014, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 31, "sidechain_TRP": null, "next": 673, "sidechain_SER": null, - "bm": 15.0, + "bm": 16.0, "xpr": false, "prev": 671, "terminal_flag": false, - "phi": -35.1517863234297, - "chainID": "A", - "sidechain_GLN": 30, - "ome": -175.346566966794, - "chi2": 92.4938246025787, - "chi3": -21.907281040123, - "chi1": -77.3174505986753, + "phi": -57.1556107469826, + "chainID": "B", + "sidechain_GLN": null, + "ome": -175.700826673462, + "chi2": null, + "chi3": null, + "chi1": -62.7747665546007, "chi4": null, "chi5": null, - "a1": 125.485935354407, - "L4": 1.53173927685258, - "L5": 1.2339645268152, - "L2": 1.46965273001374, - "L3": 1.5484462602352, - "a7": 122.908253475287, - "L1": 1.3318250871404, + "a1": 121.180275996033, + "L4": 1.53685076853097, + "L5": 1.24214122816146, + "L2": 1.45210675255421, + "L3": 1.53321628605038, + "a7": 122.560651771704, + "L1": 1.32491285132228, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 116.813329710069, - "bs": 15.0, - "a2": 108.653616367246, - "a5": 121.078187630798, + "ss": "H", + "a3": 111.530650761763, + "bs": 20.0, + "a2": 108.227134352586, + "a5": 121.264152270382, "sidechain_LEU": null, "chainIndex": 154, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.316099634047 + "a4": 110.23317740245 } }, { "pk": 673, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.384823593348, - "psi": -24.631362535311, + "a6": 117.039371068144, + "psi": -24.142839755739, "oldID": "155", - "bg": 0.0, + "bg": 16.31, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.4675583105495, + "zeta": 33.7536321790475, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103845,60 +91741,60 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 674, - "sidechain_SER": null, - "bm": 17.0, + "sidechain_SER": 24, + "bm": 15.0, "xpr": false, "prev": 672, "terminal_flag": false, - "phi": -48.3842377307281, - "chainID": "A", + "phi": -71.6699314611759, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.748978867788, + "ome": -167.263380462559, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -160.442138472755, "chi4": null, "chi5": null, - "a1": 121.279149593652, - "L4": 1.50737696802452, - "L5": 1.2277112544801, - "L2": 1.45461029122723, - "L3": 1.51109995389536, - "a7": 122.642953296932, - "L1": 1.33062103981003, + "a1": 120.275904942198, + "L4": 1.54008335805002, + "L5": 1.21521134148028, + "L2": 1.45176696509996, + "L3": 1.54064729557927, + "a7": 122.447089823431, + "L1": 1.32255676276386, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 116.409036800292, - "bs": 17.0, - "a2": 111.408049108814, - "a5": 118.941633033706, + "ss": "H", + "a3": 114.448777990533, + "bs": 15.0, + "a2": 111.116739088919, + "a5": 120.510726944586, "sidechain_LEU": null, "chainIndex": 155, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.626807858514 + "a4": 108.959966471918 } }, { "pk": 674, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.320354505186, - "psi": -33.4263283520007, + "a6": 117.960443649789, + "psi": 123.691280124461, "oldID": "156", - "bg": 17.61, - "sidechain_CYS": null, + "bg": 18.85, + "sidechain_CYS": 17, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.3947206241633, + "zeta": 33.8103302799351, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -103911,177 +91807,177 @@ "xpr": false, "prev": 673, "terminal_flag": false, - "phi": -65.3316995599024, - "chainID": "A", - "sidechain_GLN": null, - "ome": -169.57705796046, - "chi2": 67.4527574861537, - "chi3": 61.5307868489668, - "chi1": 169.013041991012, - "chi4": -163.203705537481, - "chi5": -1.01814810980452, - "a1": 118.389240393254, - "L4": 1.51992132981277, - "L5": 1.23437015838051, - "L2": 1.44959372983848, - "L3": 1.52294219661803, - "a7": 122.887909326903, - "L1": 1.33420044814226, - "sidechain_ARG": 33, + "phi": -72.5377988237143, + "chainID": "B", + "sidechain_GLN": null, + "ome": -178.00599905011, + "chi2": null, + "chi3": null, + "chi1": -179.474396533752, + "chi4": null, + "chi5": null, + "a1": 120.326879908579, + "L4": 1.49616150099568, + "L5": 1.21251726240701, + "L2": 1.45927496120508, + "L3": 1.52280704236327, + "a7": 122.067274120074, + "L1": 1.32337504025933, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 109.078013086291, - "bs": 17.0, - "a2": 110.211243659695, - "a5": 121.790729345741, + "ss": "-", + "a3": 111.885210116829, + "bs": 18.0, + "a2": 109.589253197486, + "a5": 119.93139398638, "sidechain_LEU": null, "chainIndex": 156, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.155160257065 + "a4": 111.303947323066 } }, { "pk": 675, "model": "pgd_core.residue", "fields": { - "aa": "i", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 41, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": null, - "psi": null, + "a6": 119.793264509869, + "psi": -24.7669729476043, "oldID": "157", - "bg": 20.28, + "bg": 16.86, "sidechain_CYS": null, - "sidechain_ILE": 35, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.0595415620128, + "zeta": 38.8528575454744, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": null, + "next": 676, "sidechain_SER": null, - "bm": 18.0, + "bm": 16.0, "xpr": false, "prev": 674, "terminal_flag": false, - "phi": -78.753165428601, - "chainID": "A", + "phi": -79.8778772952116, + "chainID": "B", "sidechain_GLN": null, - "ome": null, - "chi2": 166.895145083895, - "chi3": null, - "chi1": -61.8885612002426, - "chi4": null, + "ome": -171.481781252779, + "chi2": -31.3871665507686, + "chi3": 20.1950233303761, + "chi1": 29.4033284004336, + "chi4": -0.707438827916924, "chi5": null, - "a1": 119.505101511527, - "L4": 1.50947705572065, - "L5": 1.23527283737865, - "L2": 1.45087729329175, - "L3": 1.54793933043557, - "a7": null, - "L1": 1.32488324963232, + "a1": 119.567714139465, + "L4": 1.53917306554313, + "L5": 1.20798142332138, + "L2": 1.45840067922846, + "L3": 1.52609562885504, + "a7": 122.201105097097, + "L1": 1.32619184018268, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.881697495335, - "bs": 20.0, - "a2": 109.555332347313, - "a5": 120.582083249472, + "omep": -0.858562486644272, + "ss": "S", + "a3": 116.782605610838, + "bs": 16.0, + "a2": 102.6028123374, + "a5": 118.005629051256, "sidechain_LEU": null, "chainIndex": 157, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.91682320885 + "a4": 109.9274238653 } }, { "pk": 676, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.872168405181, - "psi": -2.23949275970594, - "oldID": "159", - "bg": 21.22, + "a6": 117.091916803913, + "psi": 4.7760065667442, + "oldID": "158", + "bg": 18.19, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.3553872864234, + "zeta": 37.3431758933254, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 32, "sidechain_TRP": null, "next": 677, "sidechain_SER": null, - "bm": 20.0, + "bm": 17.0, "xpr": false, - "prev": null, + "prev": 675, "terminal_flag": false, - "phi": null, - "chainID": "A", + "phi": -102.84935402238, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.410370868845, + "ome": -178.652799526692, "chi2": null, "chi3": null, - "chi1": -61.2247912272466, + "chi1": 54.3849983271341, "chi4": null, "chi5": null, - "a1": null, - "L4": 1.55394073700132, - "L5": 1.21843821637114, - "L2": 1.49370001150876, - "L3": 1.54580520043108, - "a7": 121.672329527638, - "L1": null, + "a1": 119.91360172095, + "L4": 1.5012890294483, + "L5": 1.22058289282954, + "L2": 1.47820838201051, + "L3": 1.49031304091806, + "a7": 122.741454186393, + "L1": 1.32362272511561, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.200189573581, - "bs": 20.0, - "a2": 113.33433997174, - "a5": 119.453902881901, + "ss": "S", + "a3": 116.643558140602, + "bs": 19.0, + "a2": 108.737220257594, + "a5": 120.152339895601, "sidechain_LEU": null, "chainIndex": 158, - "sidechain_HIS": 28, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.750656249253 + "a4": 105.481807183179 } }, { "pk": 677, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.991208085404, - "psi": -36.9572902783687, - "oldID": "160", - "bg": 25.09, + "a6": 117.784465470471, + "psi": 13.9771552327152, + "oldID": "159", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.2022002177119, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104089,41 +91985,41 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 678, - "sidechain_SER": 28, - "bm": 22.0, + "sidechain_SER": null, + "bm": 18.0, "xpr": false, "prev": 676, "terminal_flag": false, - "phi": -62.2123312441325, - "chainID": "A", + "phi": 77.7930850753864, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.989831375924, + "ome": 174.263642034032, "chi2": null, "chi3": null, - "chi1": 65.2164591752045, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.196855241676, - "L4": 1.53495559857316, - "L5": 1.23981372874798, - "L2": 1.47915292090755, - "L3": 1.53210146709736, - "a7": 122.663182411784, - "L1": 1.33244562469981, + "a1": 119.184788278472, + "L4": 1.51299649926027, + "L5": 1.21942817638795, + "L2": 1.4429341042517, + "L3": null, + "a7": 122.557543041519, + "L1": 1.31496638995424, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.777700668326, - "bs": 24.0, - "a2": 111.398137330352, - "a5": 120.344869588493, + "ss": "S", + "a3": 110.446975163481, + "bs": 0.0, + "a2": null, + "a5": 119.601833635195, "sidechain_LEU": null, "chainIndex": 159, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.748209754739 + "a4": null } }, { @@ -104133,16 +92029,16 @@ "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.330789279596, - "psi": -42.2497702672446, - "oldID": "161", + "a6": 116.572786861715, + "psi": -41.3388136422081, + "oldID": "160", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.2372639297429, + "zeta": 33.6045718481076, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104151,182 +92047,182 @@ "sidechain_TRP": null, "next": 679, "sidechain_SER": null, - "bm": 22.0, + "bm": 18.0, "xpr": false, "prev": 677, "terminal_flag": false, - "phi": -66.2006401743376, - "chainID": "A", + "phi": -64.7027349911761, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.865229438351, + "ome": 179.487405752343, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.898112485298, - "L4": 1.51939087099385, - "L5": 1.23463218415139, - "L2": 1.46194246166686, - "L3": 1.53981710719985, - "a7": 123.022268769948, - "L1": 1.32946816757477, + "a1": 119.338060940353, + "L4": 1.53849910012865, + "L5": 1.23891222746867, + "L2": 1.46482340207751, + "L3": 1.49384022926008, + "a7": 122.310604275718, + "L1": 1.32744661498373, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.932797856617, - "bs": 21.0, - "a2": 110.782824266625, - "a5": 121.614019451548, + "ss": "-", + "a3": 109.236457436636, + "bs": 19.0, + "a2": 110.618881772902, + "a5": 121.11628618031, "sidechain_LEU": null, "chainIndex": 160, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.174774523329 + "a4": 110.779334470754 } }, { "pk": 679, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.635193892319, - "psi": -47.5270480954106, - "oldID": "162", - "bg": 25.9, + "a6": 116.339286845587, + "psi": 132.990160329561, + "oldID": "161", + "bg": 18.05, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.5421442969377, + "zeta": 34.8521394613004, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 30, + "sidechain_MET": 16, + "sidechain_THR": null, "sidechain_TRP": null, "next": 680, "sidechain_SER": null, - "bm": 22.0, + "bm": 18.0, "xpr": false, "prev": 678, "terminal_flag": false, - "phi": -61.590808487647, - "chainID": "A", + "phi": -92.954998283242, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.809258630887, - "chi2": null, - "chi3": null, - "chi1": -78.1227174247516, + "ome": 176.45947551094, + "chi2": -62.4583894169379, + "chi3": -60.8515581099845, + "chi1": -66.4678132159832, "chi4": null, "chi5": null, - "a1": 121.448821947002, - "L4": 1.51024938753409, - "L5": 1.23243860460156, - "L2": 1.45001676637953, - "L3": 1.52970027787944, - "a7": 123.079130508083, - "L1": 1.31608691864387, + "a1": 121.22224852339, + "L4": 1.50724917374863, + "L5": 1.2280720712611, + "L2": 1.46934388497932, + "L3": 1.5372939908368, + "a7": 123.367172936656, + "L1": 1.32781296420677, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.483964327568, - "bs": 24.0, - "a2": 108.6544807898, - "a5": 120.28465208092, + "ss": "E", + "a3": 108.841624020168, + "bs": 17.0, + "a2": 112.071914213363, + "a5": 120.293287948987, "sidechain_LEU": null, "chainIndex": 161, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.278427389788 + "a4": 108.265459375467 } }, { "pk": 680, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 23, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.859365322523, - "psi": -47.9585659192456, - "oldID": "163", - "bg": 21.1, + "a6": 116.874124233832, + "psi": 148.633187466915, + "oldID": "162", + "bg": 18.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.8618123108489, + "zeta": 35.5105580655825, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 57, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 681, "sidechain_SER": null, - "bm": 23.0, + "bm": 17.0, "xpr": false, "prev": 679, "terminal_flag": false, - "phi": -58.3106071860136, - "chainID": "A", + "phi": -139.370623617845, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.766266917246, - "chi2": null, + "ome": -178.502303073888, + "chi2": -93.124834026012, "chi3": null, - "chi1": 169.872294848482, + "chi1": -56.7075957289832, "chi4": null, "chi5": null, - "a1": 119.621158453394, - "L4": 1.51135297236989, - "L5": 1.2362339492896, - "L2": 1.45985355952783, - "L3": 1.55376226957334, - "a7": 123.429633342307, - "L1": 1.33491746486415, + "a1": 122.351333779241, + "L4": 1.5075645705289, + "L5": 1.21702841198572, + "L2": 1.4572078855331, + "L3": 1.520717071413, + "a7": 123.151618892637, + "L1": 1.33148371152992, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.379311206439, - "bs": 21.0, - "a2": 113.313394085449, - "a5": 120.656772856383, + "ss": "E", + "a3": 108.330581322711, + "bs": 18.0, + "a2": 110.36353185111, + "a5": 119.908332703502, "sidechain_LEU": null, "chainIndex": 162, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.032650139663 + "a4": 109.011480993157 } }, { "pk": 681, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.180281521888, - "psi": -48.2770226572051, - "oldID": "164", - "bg": 0.0, + "a6": 116.417009518676, + "psi": 144.669777999588, + "oldID": "163", + "bg": 15.69, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.2706004079444, - "sidechain_PHE": null, + "zeta": 35.4429480136645, + "sidechain_PHE": 30, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -104334,59 +92230,59 @@ "sidechain_TRP": null, "next": 682, "sidechain_SER": null, - "bm": 21.0, + "bm": 15.0, "xpr": false, "prev": 680, "terminal_flag": false, - "phi": -59.964078307455, - "chainID": "A", + "phi": -141.541182172873, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.108630328781, - "chi2": null, + "ome": 175.048501222932, + "chi2": 88.5906721431131, "chi3": null, - "chi1": null, + "chi1": 172.225592904352, "chi4": null, "chi5": null, - "a1": 122.16274074481, - "L4": 1.51661203632932, - "L5": 1.24199789175163, - "L2": 1.45041031303335, - "L3": 1.54442599191639, - "a7": 122.360522366868, - "L1": 1.32977428558839, + "a1": 122.708260770795, + "L4": 1.514284049153, + "L5": 1.2461461688265, + "L2": 1.45617185831301, + "L3": 1.53350591182671, + "a7": 122.443358812819, + "L1": 1.3252150027383, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.627032201231, - "bs": 20.0, - "a2": 110.2450805103, - "a5": 121.406383347276, + "ss": "E", + "a3": 110.891055333672, + "bs": 16.0, + "a2": 109.892434182351, + "a5": 121.138629771141, "sidechain_LEU": null, "chainIndex": 163, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.951504816764 + "a4": 109.044189023239 } }, { "pk": 682, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.890584865833, - "psi": -47.3054439109837, - "oldID": "165", + "a6": 116.806128921147, + "psi": -157.883881685504, + "oldID": "164", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.5009440769593, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104395,59 +92291,59 @@ "sidechain_TRP": null, "next": 683, "sidechain_SER": null, - "bm": 18.0, + "bm": 16.0, "xpr": false, "prev": 681, "terminal_flag": false, - "phi": -67.7467994728783, - "chainID": "A", + "phi": 175.763606491122, + "chainID": "B", "sidechain_GLN": null, - "ome": -173.805920823386, + "ome": 175.202901807839, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 118.923415896749, - "L4": 1.51485546170446, - "L5": 1.20635549537867, - "L2": 1.4437765144911, - "L3": 1.51610621041141, - "a7": 122.640194662428, - "L1": 1.32088021208512, + "a1": 120.574084716119, + "L4": 1.52330753980014, + "L5": 1.21653973203611, + "L2": 1.45467652024931, + "L3": null, + "a7": 121.632562693341, + "L1": 1.32838277808622, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.445713577211, - "bs": 19.0, - "a2": 111.234211834015, - "a5": 119.343908161497, + "ss": "E", + "a3": 112.004368191103, + "bs": 0.0, + "a2": null, + "a5": 121.539895498474, "sidechain_LEU": null, "chainIndex": 164, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.800833626975 + "a4": null } }, { "pk": 683, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.344477516824, - "psi": -30.4472031815781, - "oldID": "166", - "bg": 17.77, + "chain": "1H0HB", + "sidechain_ASP": 45, + "a6": 115.844665785841, + "psi": 144.362856796567, + "oldID": "165", + "bg": 20.61, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.4756052211534, + "zeta": 33.6340586676986, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104460,55 +92356,55 @@ "xpr": false, "prev": 682, "terminal_flag": false, - "phi": -74.8218566805637, - "chainID": "A", + "phi": -65.9830259115275, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.712809100195, - "chi2": -177.23794745343, + "ome": -177.510354465311, + "chi2": -25.2467261591108, "chi3": null, - "chi1": -62.3914314045677, + "chi1": -66.3432954813151, "chi4": null, "chi5": null, - "a1": 118.810661293678, - "L4": 1.5047837506034, - "L5": 1.22251285305836, - "L2": 1.46373294320755, - "L3": 1.52560418278447, - "a7": 122.968994476011, - "L1": 1.32275872325905, + "a1": 120.247894974941, + "L4": 1.5162597378191, + "L5": 1.23116642321822, + "L2": 1.4561851561272, + "L3": 1.51476970193794, + "a7": 123.297684111931, + "L1": 1.32693642281936, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.919143715615, - "bs": 17.0, - "a2": 112.248796131568, - "a5": 119.683818205077, - "sidechain_LEU": 58, + "ss": "E", + "a3": 106.67071350431, + "bs": 20.0, + "a2": 110.863851236459, + "a5": 120.843595162604, + "sidechain_LEU": null, "chainIndex": 165, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.402552369917 + "a4": 111.71287317675 } }, { "pk": 684, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.921945442997, - "psi": -37.3571754825782, - "oldID": "167", - "bg": 0.0, + "a6": 116.544527569617, + "psi": -50.5669900996603, + "oldID": "166", + "bg": 17.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.2247135805381, + "zeta": 33.9959305673746, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104521,55 +92417,55 @@ "xpr": false, "prev": 683, "terminal_flag": false, - "phi": -66.6947418357557, - "chainID": "A", + "phi": -51.3775461596416, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.18803179556, - "chi2": null, + "ome": 178.750372342208, + "chi2": 58.5639008724426, "chi3": null, - "chi1": null, + "chi1": -173.606405361482, "chi4": null, "chi5": null, - "a1": 118.665794681227, - "L4": 1.52464422103484, - "L5": 1.22684664383966, - "L2": 1.45859820245098, - "L3": 1.5085018250767, - "a7": 122.279839224837, - "L1": 1.329343832498, + "a1": 121.70683372096, + "L4": 1.52223605350827, + "L5": 1.22929893628694, + "L2": 1.45487271268263, + "L3": 1.53407406715954, + "a7": 122.980449320737, + "L1": 1.32052897527433, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 107.856018137867, - "bs": 19.0, - "a2": 111.105963833273, - "a5": 120.780211742002, - "sidechain_LEU": null, + "a3": 115.030447299735, + "bs": 17.0, + "a2": 110.53630236295, + "a5": 120.460974155856, + "sidechain_LEU": 54, "chainIndex": 166, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.590126179977 + "a4": 109.03153501018 } }, { "pk": 685, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.240803025934, - "psi": -47.4092315155671, - "oldID": "168", - "bg": 18.3, + "a6": 116.931695827191, + "psi": -47.3563428152779, + "oldID": "167", + "bg": 23.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.6450495332507, + "zeta": 34.558705907402, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104577,60 +92473,60 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 686, - "sidechain_SER": null, - "bm": 17.0, + "sidechain_SER": 25, + "bm": 18.0, "xpr": false, "prev": 684, "terminal_flag": false, - "phi": -61.447987528197, - "chainID": "A", + "phi": -52.5156101021846, + "chainID": "B", "sidechain_GLN": null, - "ome": -174.797438375428, - "chi2": 85.2594342541995, - "chi3": 31.6045491791931, - "chi1": 175.544320647488, + "ome": -178.57866116763, + "chi2": null, + "chi3": null, + "chi1": -68.3248161138318, "chi4": null, "chi5": null, - "a1": 120.334360795297, - "L4": 1.52389404332567, - "L5": 1.23830831955637, - "L2": 1.45933789913483, - "L3": 1.53617419251111, - "a7": 122.542194567983, - "L1": 1.33038389785575, + "a1": 121.791013719584, + "L4": 1.53416389134008, + "L5": 1.2273603181693, + "L2": 1.45915875230298, + "L3": 1.52733766403066, + "a7": 122.559299279263, + "L1": 1.32205527544707, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 63, + "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.714438139701, - "bs": 19.0, - "a2": 111.624230678599, - "a5": 121.212490542571, + "a3": 112.007393626218, + "bs": 21.0, + "a2": 110.28209042475, + "a5": 120.507998972384, "sidechain_LEU": null, "chainIndex": 167, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.730227886398 + "a4": 109.371692987468 } }, { "pk": 686, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.211622629169, - "psi": -48.6886677775758, - "oldID": "169", - "bg": 18.44, + "a6": 115.538102590297, + "psi": -39.9014602522603, + "oldID": "168", + "bg": 26.31, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.0028648712107, + "zeta": 34.5849790017515, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104638,121 +92534,121 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 687, - "sidechain_SER": 29, - "bm": 16.0, + "sidechain_SER": null, + "bm": 18.0, "xpr": false, "prev": 685, "terminal_flag": false, - "phi": -73.9296361970428, - "chainID": "A", + "phi": -62.2442291703677, + "chainID": "B", "sidechain_GLN": null, - "ome": -168.987101441526, - "chi2": null, - "chi3": null, - "chi1": -56.8196668584776, + "ome": 179.216182957758, + "chi2": 159.668554838186, + "chi3": 26.950173435409, + "chi1": -78.814306080853, "chi4": null, "chi5": null, - "a1": 120.190977616616, - "L4": 1.52550111738856, - "L5": 1.21455810784254, - "L2": 1.45503564034571, - "L3": 1.52869549658392, - "a7": 123.486399205387, - "L1": 1.32618579594219, + "a1": 121.78416700154, + "L4": 1.51686238458823, + "L5": 1.23439393028442, + "L2": 1.47097587354084, + "L3": 1.52696923435946, + "a7": 123.847200960525, + "L1": 1.33188306848536, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 60, "omep": null, "ss": "H", - "a3": 113.278404165834, - "bs": 17.0, - "a2": 111.617750895621, - "a5": 119.277835357236, + "a3": 111.301570311994, + "bs": 27.0, + "a2": 110.753629572812, + "a5": 120.613192634804, "sidechain_LEU": null, "chainIndex": 168, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.453432701578 + "a4": 109.091676369228 } }, { "pk": 687, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.400475950202, - "psi": -18.8842765160613, - "oldID": "170", - "bg": 15.42, + "a6": 116.015544654508, + "psi": -39.8282387537262, + "oldID": "169", + "bg": 18.82, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.5574188118609, + "zeta": 33.888552928832, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 17, "sidechain_THR": null, "sidechain_TRP": null, "next": 688, "sidechain_SER": null, - "bm": 14.0, + "bm": 17.0, "xpr": false, "prev": 686, "terminal_flag": false, - "phi": -114.930714550168, - "chainID": "A", + "phi": -69.8499092658406, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.483104187859, - "chi2": -28.4706182006314, - "chi3": null, - "chi1": -54.3854920285141, + "ome": 174.564293982814, + "chi2": -56.2849878902558, + "chi3": 103.757808601797, + "chi1": -69.9653656581629, "chi4": null, "chi5": null, - "a1": 121.716133380702, - "L4": 1.52009944766888, - "L5": 1.22416560399204, - "L2": 1.45344653344101, - "L3": 1.53564417687861, - "a7": 121.7863477663, - "L1": 1.33427647556477, + "a1": 122.307103859236, + "L4": 1.53601637324937, + "L5": 1.24374378765489, + "L2": 1.46280546928628, + "L3": 1.51430132615977, + "a7": 122.949131147597, + "L1": 1.32964186361366, "sidechain_ARG": null, - "sidechain_TYR": 21, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 114.512774081646, - "bs": 14.0, - "a2": 109.275193064784, - "a5": 120.727584852596, + "a3": 111.297866283036, + "bs": 18.0, + "a2": 109.55661274403, + "a5": 121.027505454615, "sidechain_LEU": null, "chainIndex": 169, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.462984710851 + "a4": 111.082406371686 } }, { "pk": 688, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.017336483547, - "psi": -17.9504366090966, - "oldID": "171", - "bg": 0.0, + "a6": 116.103873448831, + "psi": -44.4550326015645, + "oldID": "170", + "bg": 19.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 33.9627747322407, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104761,59 +92657,59 @@ "sidechain_TRP": null, "next": 689, "sidechain_SER": null, - "bm": 16.0, + "bm": 17.0, "xpr": false, "prev": 687, "terminal_flag": false, - "phi": 109.47109559751, - "chainID": "A", + "phi": -59.5180605580995, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.767314876408, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 179.903049215827, + "chi2": 170.972458733991, + "chi3": -23.5302509049357, + "chi1": -71.4715895160273, "chi4": null, "chi5": null, - "a1": 119.422660530194, - "L4": 1.52113270991782, - "L5": 1.25369299703051, - "L2": 1.44080011658689, - "L3": null, - "a7": 122.958928856937, - "L1": 1.32208363834556, + "a1": 121.301368325143, + "L4": 1.53111233080568, + "L5": 1.23997705883888, + "L2": 1.46193437577243, + "L3": 1.52679821638361, + "a7": 123.079207480667, + "L1": 1.33372102795057, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 61, "omep": null, - "ss": "S", - "a3": 115.71173201189, - "bs": 0.0, - "a2": null, - "a5": 120.019989917595, + "ss": "H", + "a3": 110.799256627293, + "bs": 19.0, + "a2": 110.192011851624, + "a5": 120.783027542296, "sidechain_LEU": null, "chainIndex": 170, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.675320365519 } }, { "pk": 689, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.730162955127, - "psi": 156.897981118355, - "oldID": "172", - "bg": 14.14, + "a6": 115.700842551085, + "psi": -42.1876933353137, + "oldID": "171", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.0908290544297, + "zeta": 33.8254725174694, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104822,63 +92718,63 @@ "sidechain_TRP": null, "next": 690, "sidechain_SER": null, - "bm": 16.0, + "bm": 18.0, "xpr": false, "prev": 688, "terminal_flag": false, - "phi": -135.316740883459, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.034372859155, - "chi2": -169.008536065824, - "chi3": -174.972936629555, - "chi1": -57.4516716599938, - "chi4": 92.3303755277905, - "chi5": -4.64362421901167, - "a1": 121.60366805632, - "L4": 1.53458828006356, - "L5": 1.22663602864385, - "L2": 1.46013635799838, - "L3": 1.51817547989355, - "a7": 122.615161366369, - "L1": 1.33868765020308, - "sidechain_ARG": 34, + "phi": -66.7319043052996, + "chainID": "B", + "sidechain_GLN": null, + "ome": 177.94153750385, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 122.153590691918, + "L4": 1.5330113648294, + "L5": 1.24482049776788, + "L2": 1.4595386592324, + "L3": 1.52314776618374, + "a7": 123.032363201378, + "L1": 1.33057855887343, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.503540558196, - "bs": 14.0, - "a2": 111.278495373189, - "a5": 119.654552008388, + "ss": "H", + "a3": 111.20390532326, + "bs": 18.0, + "a2": 110.561208977311, + "a5": 121.256366544058, "sidechain_LEU": null, "chainIndex": 171, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.438563652706 + "a4": 110.33074376932 } }, { "pk": 690, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.467699188848, - "psi": -1.71018868783329, - "oldID": "173", - "bg": 0.0, + "a6": 116.274934387871, + "psi": -48.552729509543, + "oldID": "172", + "bg": 19.63, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 35.0385321409397, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 18, "sidechain_THR": null, "sidechain_TRP": null, "next": 691, @@ -104887,36 +92783,36 @@ "xpr": false, "prev": 689, "terminal_flag": false, - "phi": -91.7630370150702, - "chainID": "A", + "phi": -60.0824222376074, + "chainID": "B", "sidechain_GLN": null, - "ome": -173.413177074115, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -179.689449748226, + "chi2": -176.396870795582, + "chi3": -80.9564946401581, + "chi1": -168.76801716382, "chi4": null, "chi5": null, - "a1": 121.618931323521, - "L4": 1.5295781904612, - "L5": 1.22851577653952, - "L2": 1.45337748678358, - "L3": null, - "a7": 122.291575772507, - "L1": 1.32972688964923, + "a1": 121.300681812969, + "L4": 1.52753025178841, + "L5": 1.23364420299927, + "L2": 1.45230525029688, + "L3": 1.53139084143906, + "a7": 122.540563583379, + "L1": 1.33018798928292, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 115.098529661252, - "bs": 0.0, - "a2": null, - "a5": 120.233402387825, + "ss": "H", + "a3": 110.262868689111, + "bs": 20.0, + "a2": 109.804588227153, + "a5": 121.184501037861, "sidechain_LEU": null, "chainIndex": 172, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.816496217746 } }, { @@ -104926,16 +92822,16 @@ "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.452991969316, - "psi": 158.199767127118, - "oldID": "174", + "a6": 116.259099444378, + "psi": -48.3826979966079, + "oldID": "173", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1365200758917, + "zeta": 34.3181882015474, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -104944,181 +92840,181 @@ "sidechain_TRP": null, "next": 692, "sidechain_SER": null, - "bm": 17.0, + "bm": 16.0, "xpr": false, "prev": 690, "terminal_flag": false, - "phi": -78.656370904878, - "chainID": "A", + "phi": -56.5356791279624, + "chainID": "B", "sidechain_GLN": null, - "ome": 169.222892661686, + "ome": 179.780661905534, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.348317177583, - "L4": 1.51597474692665, - "L5": 1.20984556947559, - "L2": 1.46550360443318, - "L3": 1.51553351637279, - "a7": 123.100283099576, - "L1": 1.32341535008875, + "a1": 121.330099721699, + "L4": 1.53478085867154, + "L5": 1.23196808327544, + "L2": 1.45828406797139, + "L3": 1.52514347812814, + "a7": 122.876777923785, + "L1": 1.32819006573731, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 117.181153034825, + "ss": "H", + "a3": 111.446924320789, "bs": 16.0, - "a2": 109.282176559072, - "a5": 121.328200236909, + "a2": 109.72327275381, + "a5": 120.858891650889, "sidechain_LEU": null, "chainIndex": 173, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.889781427039 + "a4": 110.4252185813 } }, { "pk": 692, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.798521393911, - "psi": 128.890070557565, - "oldID": "175", - "bg": 15.64, + "a6": 115.944639161347, + "psi": -45.0088729979384, + "oldID": "174", + "bg": 25.19, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9506993676535, + "zeta": 35.217485239357, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 15, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 693, - "sidechain_SER": null, - "bm": 15.0, + "sidechain_SER": 26, + "bm": 17.0, "xpr": false, "prev": 691, "terminal_flag": false, - "phi": -53.1193905262831, - "chainID": "A", + "phi": -60.9398667915549, + "chainID": "B", "sidechain_GLN": null, - "ome": -170.74607874923, - "chi2": 148.635327127964, - "chi3": 134.936443753341, - "chi1": 171.218553204205, + "ome": 177.721676260792, + "chi2": null, + "chi3": null, + "chi1": -83.5123023641116, "chi4": null, "chi5": null, - "a1": 121.287114918697, - "L4": 1.55499236687033, - "L5": 1.22944966848411, - "L2": 1.45273815608986, - "L3": 1.52581892824379, - "a7": 121.015553535535, - "L1": 1.32344184950466, + "a1": 121.857128223857, + "L4": 1.51525724739268, + "L5": 1.22460591649831, + "L2": 1.46324640992827, + "L3": 1.52158337011748, + "a7": 122.93124803573, + "L1": 1.32921310936398, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.055412117234, - "bs": 15.0, - "a2": 107.944031543256, - "a5": 120.184825450763, + "ss": "H", + "a3": 113.800614156476, + "bs": 22.0, + "a2": 110.180855215609, + "a5": 121.066668478335, "sidechain_LEU": null, "chainIndex": 174, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.171533204755 + "a4": 108.029543433849 } }, { "pk": 693, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.873397087319, - "psi": -28.0636485252885, - "oldID": "176", - "bg": 12.37, + "a6": 117.268013510153, + "psi": -40.4705113745278, + "oldID": "175", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.5267221879082, + "zeta": 34.0969791630533, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 31, + "sidechain_THR": null, "sidechain_TRP": null, "next": 694, "sidechain_SER": null, - "bm": 13.0, + "bm": 16.0, "xpr": false, "prev": 692, "terminal_flag": false, - "phi": -79.4512584093913, - "chainID": "A", + "phi": -62.3002377586021, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.264956309311, + "ome": -176.598971916073, "chi2": null, "chi3": null, - "chi1": 69.0790012646248, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.829574220999, - "L4": 1.50660037508747, - "L5": 1.20881772206138, - "L2": 1.47102616343256, - "L3": 1.51287336336742, - "a7": 123.525021243609, - "L1": 1.33193932798624, + "a1": 121.050540910588, + "L4": 1.53342309399374, + "L5": 1.2329855358484, + "L2": 1.44652288822159, + "L3": 1.53971136200264, + "a7": 122.190663341043, + "L1": 1.31885764660355, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 116.207035739706, - "bs": 13.0, - "a2": 110.710159295064, - "a5": 119.597834096606, + "ss": "H", + "a3": 110.986487779795, + "bs": 17.0, + "a2": 110.198870613066, + "a5": 120.535130952644, "sidechain_LEU": null, "chainIndex": 175, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.807941387483 + "a4": 110.655972080884 } }, { "pk": 694, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "r", "sidechain_PRO": null, - "sidechain_ASN": 25, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.697595703456, - "psi": -144.019675551271, - "oldID": "177", - "bg": 15.5, + "a6": 116.069008847929, + "psi": -39.7001295600757, + "oldID": "176", + "bg": 17.32, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.5135981389139, + "zeta": 33.4644609906328, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105127,59 +93023,59 @@ "sidechain_TRP": null, "next": 695, "sidechain_SER": null, - "bm": 15.0, + "bm": 17.0, "xpr": false, "prev": 693, "terminal_flag": false, - "phi": -116.831412828721, - "chainID": "A", + "phi": -70.4463052206047, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.941873682084, - "chi2": 50.3426532426354, - "chi3": null, - "chi1": -70.7906849980823, - "chi4": null, - "chi5": null, - "a1": 122.456566640654, - "L4": 1.53688759145279, - "L5": 1.22501578663844, - "L2": 1.44832724373583, - "L3": 1.52844159583493, - "a7": 121.909026705181, - "L1": 1.32283054831297, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.069779305865, - "bs": 15.0, - "a2": 110.699723875189, - "a5": 119.340024753591, - "sidechain_LEU": null, - "chainIndex": 176, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 114.320844119987 - } -}, + "ome": 174.741772192916, + "chi2": 61.8831364930132, + "chi3": 173.499725159421, + "chi1": 175.520959194528, + "chi4": 161.074114758526, + "chi5": 0.103140114797717, + "a1": 119.51974207421, + "L4": 1.51988884832035, + "L5": 1.23701741006973, + "L2": 1.45831062356997, + "L3": 1.52136835968051, + "a7": 123.548504349923, + "L1": 1.32818122223612, + "sidechain_ARG": 33, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "H", + "a3": 110.142728689526, + "bs": 19.0, + "a2": 111.998828415622, + "a5": 120.381040745708, + "sidechain_LEU": null, + "chainIndex": 176, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 109.791226959033 + } +}, { "pk": 695, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.944048810139, - "psi": 169.017230559094, - "oldID": "178", - "bg": 14.53, + "a6": 116.97419347742, + "psi": -43.1083952480441, + "oldID": "177", + "bg": 17.83, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.8763009850614, + "zeta": 34.8635719585627, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105188,120 +93084,120 @@ "sidechain_TRP": null, "next": 696, "sidechain_SER": null, - "bm": 14.0, + "bm": 18.0, "xpr": false, "prev": 694, "terminal_flag": false, - "phi": -157.180179299746, - "chainID": "A", + "phi": -58.1634510727031, + "chainID": "B", "sidechain_GLN": null, - "ome": -169.860270546333, - "chi2": null, + "ome": -179.337693090381, + "chi2": 57.9464733706379, "chi3": null, - "chi1": 65.2323781683681, + "chi1": 173.613668596862, "chi4": null, "chi5": null, - "a1": 119.855733394338, - "L4": 1.52166834085688, - "L5": 1.22345909790734, - "L2": 1.46192055136336, - "L3": 1.53651495131618, - "a7": 122.770410030955, - "L1": 1.32750976597511, + "a1": 120.805251195124, + "L4": 1.52749065886326, + "L5": 1.22794194172826, + "L2": 1.45643856295118, + "L3": 1.52947536204789, + "a7": 122.443325713464, + "L1": 1.33443711294958, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.252263243276, - "bs": 14.0, - "a2": 111.937935390736, - "a5": 120.28419721244, - "sidechain_LEU": null, + "ss": "H", + "a3": 110.313830062244, + "bs": 18.0, + "a2": 111.661829309929, + "a5": 120.562911353469, + "sidechain_LEU": 55, "chainIndex": 177, - "sidechain_HIS": 29, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.582087520362 + "a4": 108.10865651433 } }, { "pk": 696, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.747505200932, - "psi": -51.5985228459552, - "oldID": "179", - "bg": 14.26, + "a6": 115.967763828208, + "psi": -36.6603956330925, + "oldID": "178", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.8993710561856, + "zeta": 33.5563033023805, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 9, + "sidechain_TRP": null, "next": 697, "sidechain_SER": null, - "bm": 14.0, + "bm": 20.0, "xpr": false, "prev": 695, "terminal_flag": false, - "phi": -57.561566370219, - "chainID": "A", + "phi": -60.6650139227359, + "chainID": "B", "sidechain_GLN": null, - "ome": -175.887050499759, - "chi2": 105.97092610344, + "ome": -177.3753247019, + "chi2": null, "chi3": null, - "chi1": -58.0492949282026, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.304030070755, - "L4": 1.53615275264321, - "L5": 1.2470888195025, - "L2": 1.45834469237145, - "L3": 1.54011389663522, - "a7": 122.72962031501, - "L1": 1.32655097560179, + "a1": 120.418447674646, + "L4": 1.52357097747858, + "L5": 1.23225878074257, + "L2": 1.45292047276977, + "L3": 1.53949660483402, + "a7": 123.501302383882, + "L1": 1.33132344658671, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.836527055975, - "bs": 14.0, - "a2": 110.574029507918, - "a5": 121.491948340084, + "ss": "H", + "a3": 111.733130299849, + "bs": 21.0, + "a2": 110.886744127013, + "a5": 120.530669773531, "sidechain_LEU": null, "chainIndex": 178, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.062534709474 + "a4": 110.478506443113 } }, { "pk": 697, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.577594270707, - "psi": -32.7101083182358, - "oldID": "180", - "bg": 14.54, + "a6": 117.286572838038, + "psi": -22.5887376560019, + "oldID": "179", + "bg": 24.33, "sidechain_CYS": null, - "sidechain_ILE": 36, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1559662811286, + "zeta": 35.1180647794931, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105310,59 +93206,59 @@ "sidechain_TRP": null, "next": 698, "sidechain_SER": null, - "bm": 14.0, + "bm": 23.0, "xpr": false, "prev": 696, "terminal_flag": false, - "phi": -62.4119970503603, - "chainID": "A", + "phi": -67.4714299665988, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.932963664369, - "chi2": 165.437945608377, - "chi3": null, - "chi1": -68.5976844276881, + "ome": -179.647873131781, + "chi2": -173.281750630979, + "chi3": 15.1317951874524, + "chi1": -173.817741323435, "chi4": null, "chi5": null, - "a1": 120.961450094531, - "L4": 1.52589354161761, - "L5": 1.23609993090602, - "L2": 1.46880207263123, - "L3": 1.52068348879211, - "a7": 123.625211277946, - "L1": 1.31248192134977, + "a1": 123.414622629308, + "L4": 1.53145188547026, + "L5": 1.23436182815691, + "L2": 1.46422137600615, + "L3": 1.52727912998728, + "a7": 122.309581019135, + "L1": 1.32641280357991, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 62, "omep": null, - "ss": "G", - "a3": 110.582152574638, - "bs": 13.0, - "a2": 109.478192149269, - "a5": 120.769503778337, + "ss": "H", + "a3": 114.347858587901, + "bs": 24.0, + "a2": 108.842113889199, + "a5": 120.401022953563, "sidechain_LEU": null, "chainIndex": 179, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.649494614694 + "a4": 109.32066751319 } }, { "pk": 698, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 40, - "a6": 117.096345997955, - "psi": -21.7815038123995, - "oldID": "181", - "bg": 16.73, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 117.941132343246, + "psi": -7.95649093314379, + "oldID": "180", + "bg": 21.97, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 36, "protein": "1H0H", - "zeta": 32.7843672345044, + "zeta": 33.9252535819303, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105371,181 +93267,181 @@ "sidechain_TRP": null, "next": 699, "sidechain_SER": null, - "bm": 14.0, + "bm": 23.0, "xpr": false, "prev": 697, "terminal_flag": false, - "phi": -58.1844847306624, - "chainID": "A", + "phi": -117.623161987983, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.161922201813, - "chi2": 60.7843344251501, + "ome": -178.395980834604, + "chi2": 164.824847465715, "chi3": null, - "chi1": -172.434104601849, + "chi1": 75.4270717044525, "chi4": null, "chi5": null, - "a1": 122.213604951596, - "L4": 1.521743041097, - "L5": 1.24005875464168, - "L2": 1.45125782052798, - "L3": 1.5291306606078, - "a7": 122.948699826096, - "L1": 1.33066214605483, + "a1": 120.90053957659, + "L4": 1.52862289434811, + "L5": 1.23448349116313, + "L2": 1.46019308778236, + "L3": 1.53908112100223, + "a7": 122.407900361817, + "L1": 1.33120903726109, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 115.563693077165, - "bs": 15.0, - "a2": 110.245132456111, - "a5": 119.94857064823, + "ss": "H", + "a3": 114.660801945791, + "bs": 22.0, + "a2": 110.195945838388, + "a5": 119.642860429025, "sidechain_LEU": null, "chainIndex": 180, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.64399754486 + "a4": 109.589244215107 } }, { "pk": 699, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.412722779534, - "psi": -27.1685102168893, - "oldID": "182", - "bg": 14.65, + "a6": 116.238969058009, + "psi": -39.2843329520483, + "oldID": "181", + "bg": 26.03, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.028134038901, + "zeta": 34.9632842053056, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 35, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 700, "sidechain_SER": null, - "bm": 13.0, + "bm": 25.0, "xpr": false, "prev": 698, "terminal_flag": false, - "phi": -57.2306046677042, - "chainID": "A", + "phi": -50.0774902611062, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.338558514315, - "chi2": 167.741387539836, - "chi3": null, - "chi1": -68.0806130222306, - "chi4": null, + "ome": -177.868912896537, + "chi2": -83.1115708431056, + "chi3": 65.1580012252752, + "chi1": -92.2842139817158, + "chi4": 168.105626297829, "chi5": null, - "a1": 121.734710153095, - "L4": 1.52608412475235, - "L5": 1.22562173078495, - "L2": 1.4579448492429, - "L3": 1.5454358875019, - "a7": 122.110409591909, - "L1": 1.33853161062828, + "a1": 120.445375223924, + "L4": 1.53898960783988, + "L5": 1.23747995217485, + "L2": 1.46101959484869, + "L3": 1.53313084826663, + "a7": 122.626939209943, + "L1": 1.32856814922169, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.648631547479, - "bs": 15.0, - "a2": 110.590634734987, - "a5": 120.451290505083, - "sidechain_LEU": 59, + "ss": "T", + "a3": 114.810262692447, + "bs": 26.0, + "a2": 110.415486138799, + "a5": 121.089798803691, + "sidechain_LEU": null, "chainIndex": 181, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.770028390732 + "a4": 107.827921251139 } }, { "pk": 700, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.841279555446, - "psi": -18.7418175524866, - "oldID": "183", - "bg": 17.91, + "a6": 115.892670404068, + "psi": -55.9150030168284, + "oldID": "182", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1198593197234, + "zeta": 33.9826227152345, "sidechain_PHE": null, - "sidechain_LYS": 36, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 701, "sidechain_SER": null, - "bm": 14.0, + "bm": 28.0, "xpr": false, "prev": 699, "terminal_flag": false, - "phi": -64.8480321446978, - "chainID": "A", + "phi": -63.256635998115, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.125742213417, - "chi2": 178.609675324676, - "chi3": -174.715577131318, - "chi1": 72.7805576617609, - "chi4": 77.4193796107043, + "ome": -179.167612455109, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 119.608133580505, - "L4": 1.51829853477055, - "L5": 1.22977392462193, - "L2": 1.46695568799475, - "L3": 1.54107397533529, - "a7": 123.49612252774, - "L1": 1.32983417308142, + "a1": 121.431262091327, + "L4": 1.52520765636027, + "L5": 1.23685806192848, + "L2": 1.45615279779359, + "L3": 1.52419266669882, + "a7": 124.052644602174, + "L1": 1.32501281747078, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.305644286071, - "bs": 17.0, - "a2": 111.194858066893, - "a5": 119.656781879275, + "ss": "T", + "a3": 111.297967596001, + "bs": 29.0, + "a2": 110.305193608708, + "a5": 120.053258898501, "sidechain_LEU": null, "chainIndex": 182, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.060566786626 + "a4": 110.414051046244 } }, { "pk": 701, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "a", "sidechain_PRO": null, - "sidechain_ASN": 26, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.362913459673, - "psi": -0.972017179680291, - "oldID": "184", - "bg": 15.33, + "a6": 116.376389427237, + "psi": -36.5428513252892, + "oldID": "183", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.759007056793, + "zeta": 34.0304035077564, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105554,59 +93450,59 @@ "sidechain_TRP": null, "next": 702, "sidechain_SER": null, - "bm": 14.0, + "bm": 30.0, "xpr": false, "prev": 700, "terminal_flag": false, - "phi": -88.7302046064869, - "chainID": "A", + "phi": -68.1211692047203, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.987567723867, - "chi2": -51.4652910034266, + "ome": -177.132514803753, + "chi2": null, "chi3": null, - "chi1": -57.4644529734116, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.230534338398, - "L4": 1.50174092683297, - "L5": 1.22905526106358, - "L2": 1.46190757946011, - "L3": 1.53700654088601, - "a7": 122.959261466433, - "L1": 1.34063650822702, + "a1": 123.091789649591, + "L4": 1.527814057146, + "L5": 1.23382261749801, + "L2": 1.45983918386027, + "L3": 1.54581083301855, + "a7": 122.957263192403, + "L1": 1.33216722250764, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 114.329808614889, - "bs": 14.0, - "a2": 110.235499576422, - "a5": 120.677479741057, + "ss": "T", + "a3": 111.657268101698, + "bs": 30.0, + "a2": 110.550891190399, + "a5": 120.664728629475, "sidechain_LEU": null, "chainIndex": 183, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.674526979992 + "a4": 110.191098572641 } }, { "pk": 702, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.221973050734, - "psi": 142.086796960029, - "oldID": "185", - "bg": 12.48, + "a6": 115.19688331363, + "psi": 79.4255938888685, + "oldID": "184", + "bg": 30.73, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1615889161941, + "zeta": 33.7110680197115, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105614,60 +93510,60 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 703, - "sidechain_SER": 30, - "bm": 14.0, + "sidechain_SER": null, + "bm": 29.0, "xpr": false, "prev": 701, "terminal_flag": false, - "phi": -78.0901116545575, - "chainID": "A", + "phi": -117.560070967492, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.814012933418, - "chi2": null, + "ome": -173.261078684696, + "chi2": -77.2525611774543, "chi3": null, - "chi1": -55.182611851691, + "chi1": -68.7155678142793, "chi4": null, "chi5": null, - "a1": 121.354149039719, - "L4": 1.53190421769396, - "L5": 1.22583936457274, - "L2": 1.45824238933996, - "L3": 1.54119004370049, - "a7": 123.05613097268, - "L1": 1.32873264234025, + "a1": 121.727423506044, + "L4": 1.50150557065958, + "L5": 1.22423699301463, + "L2": 1.45516454390528, + "L3": 1.53782614169274, + "a7": 122.856636893877, + "L1": 1.3308014942181, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 20, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 113.68044722311, - "bs": 13.0, - "a2": 109.997802263709, - "a5": 120.718178846933, + "a3": 107.07405448447, + "bs": 31.0, + "a2": 111.045031705665, + "a5": 121.93956511896, "sidechain_LEU": null, "chainIndex": 184, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.487078053137 + "a4": 111.689930874791 } }, { "pk": 703, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 41, - "a6": 117.040821544886, - "psi": -30.7848080380787, - "oldID": "186", - "bg": 16.4, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 117.691162784855, + "psi": -10.1062292669271, + "oldID": "185", + "bg": 30.89, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.5546672104894, + "zeta": 30.6841138639441, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105675,121 +93571,121 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 704, - "sidechain_SER": null, - "bm": 13.0, + "sidechain_SER": 27, + "bm": 28.0, "xpr": false, "prev": 702, "terminal_flag": false, - "phi": -89.2910456899842, - "chainID": "A", + "phi": -65.2251205366308, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.23735621209, - "chi2": -66.3839815235655, + "ome": 175.514839156768, + "chi2": null, "chi3": null, - "chi1": -62.7970114185993, + "chi1": 56.2900964962269, "chi4": null, "chi5": null, - "a1": 121.767285452371, - "L4": 1.52760288475169, - "L5": 1.22695820946369, - "L2": 1.45276139103161, - "L3": 1.52433511408225, - "a7": 122.771818569154, - "L1": 1.33178399443359, + "a1": 119.299581343904, + "L4": 1.52202993411134, + "L5": 1.23037087395343, + "L2": 1.44678779232333, + "L3": 1.53333432794769, + "a7": 121.866050920909, + "L1": 1.31815612044108, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.130613261935, - "bs": 17.0, - "a2": 110.856586997924, - "a5": 120.071413252529, + "ss": "T", + "a3": 113.542066469719, + "bs": 30.0, + "a2": 111.759782116903, + "a5": 120.43380284454, "sidechain_LEU": null, "chainIndex": 185, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.172293520795 + "a4": 112.671641737629 } }, { "pk": 704, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.468857653221, - "psi": 126.612369386917, - "oldID": "187", - "bg": 13.64, + "chain": "1H0HB", + "sidechain_ASP": 46, + "a6": 116.667206508541, + "psi": 13.3289770487559, + "oldID": "186", + "bg": 28.2, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.3179084371771, + "zeta": 31.8903086095353, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 58, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 705, "sidechain_SER": null, - "bm": 13.0, + "bm": 22.0, "xpr": false, "prev": 703, "terminal_flag": false, - "phi": -141.859760662712, - "chainID": "A", + "phi": -105.543222437449, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.928909861351, - "chi2": null, + "ome": 179.650208140329, + "chi2": 3.49039283157815, "chi3": null, - "chi1": 176.671390263012, + "chi1": -58.453037820242, "chi4": null, "chi5": null, - "a1": 120.949588076998, - "L4": 1.53361554140364, - "L5": 1.22231155253812, - "L2": 1.46291199618341, - "L3": 1.56102250119508, - "a7": 122.0237880741, - "L1": 1.33344421502507, + "a1": 119.073036471992, + "L4": 1.54454351342888, + "L5": 1.23880104941217, + "L2": 1.46453513268813, + "L3": 1.52657812135425, + "a7": 121.865959843116, + "L1": 1.32729582907817, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.032346004655, - "bs": 14.0, - "a2": 113.987576959457, - "a5": 120.495614415277, + "ss": "T", + "a3": 112.797767069734, + "bs": 28.0, + "a2": 111.110012836517, + "a5": 121.451691227923, "sidechain_LEU": null, "chainIndex": 186, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.502390616149 + "a4": 111.811169340655 } }, { "pk": 705, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.34948400162, - "psi": 112.881017432642, - "oldID": "188", - "bg": 14.69, + "a6": 116.947080749637, + "psi": 148.509623861786, + "oldID": "187", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 37, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1818847106908, + "zeta": 34.6188998843281, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -105798,124 +93694,124 @@ "sidechain_TRP": null, "next": 706, "sidechain_SER": null, - "bm": 14.0, + "bm": 17.0, "xpr": false, "prev": 704, "terminal_flag": false, - "phi": -112.457370085838, - "chainID": "A", + "phi": -70.2875018619408, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.206454127731, - "chi2": -178.602406265156, + "ome": 173.502026540306, + "chi2": null, "chi3": null, - "chi1": -60.5452003698951, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.16836882503, - "L4": 1.52907986911315, - "L5": 1.22312159460224, - "L2": 1.46458669970772, - "L3": 1.58007244046603, - "a7": 122.773115610636, - "L1": 1.32773542530925, + "a1": 119.740575249882, + "L4": 1.51466232511028, + "L5": 1.22838355897663, + "L2": 1.45140079602435, + "L3": 1.49236969640426, + "a7": 122.941573777099, + "L1": 1.32411029384814, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.158611390864, - "bs": 14.0, - "a2": 109.830192220049, - "a5": 120.867681092278, + "ss": "-", + "a3": 109.149476036982, + "bs": 16.0, + "a2": 110.48959429877, + "a5": 120.109201867185, "sidechain_LEU": null, "chainIndex": 187, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.674336656619 + "a4": 109.636560559577 } }, { "pk": 706, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.798328609946, - "psi": 112.866557953379, - "oldID": "189", - "bg": 14.87, + "a6": 115.347092903136, + "psi": 166.41860059999, + "oldID": "188", + "bg": 21.87, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.5901985115895, + "zeta": 34.253104240084, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 36, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 707, "sidechain_SER": null, - "bm": 15.0, + "bm": 17.0, "xpr": false, "prev": 705, "terminal_flag": false, - "phi": -100.755304692791, - "chainID": "A", + "phi": -160.897016834396, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.61060456078, - "chi2": 54.3101166075002, - "chi3": null, - "chi1": 175.248678586819, - "chi4": null, + "ome": 174.206129619765, + "chi2": 179.834883902226, + "chi3": -76.3963650684815, + "chi1": 54.8267309945504, + "chi4": 159.029879602122, "chi5": null, - "a1": 122.544263837642, - "L4": 1.51608736450782, - "L5": 1.23077881669436, - "L2": 1.45182803689209, - "L3": 1.52767162154134, - "a7": 123.039848690557, - "L1": 1.3297048932333, + "a1": 119.917508946831, + "L4": 1.51295645557517, + "L5": 1.22135828261803, + "L2": 1.46662686665101, + "L3": 1.52404533761721, + "a7": 123.946425285459, + "L1": 1.32696156861288, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.413145850818, - "bs": 15.0, - "a2": 109.776811373346, - "a5": 121.113172496165, - "sidechain_LEU": 60, + "a3": 112.075004726124, + "bs": 23.0, + "a2": 111.178974229414, + "a5": 120.702900227656, + "sidechain_LEU": null, "chainIndex": 188, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.541672292973 + "a4": 108.902773425484 } }, { "pk": 707, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.332324198627, - "psi": 108.100378370166, - "oldID": "190", - "bg": 15.2, + "a6": 116.64894731827, + "psi": 148.504923349676, + "oldID": "189", + "bg": 16.05, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.1638795958443, + "zeta": 34.4727995412364, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 16, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 708, @@ -105924,116 +93820,116 @@ "xpr": false, "prev": 706, "terminal_flag": false, - "phi": -102.406901899814, - "chainID": "A", + "phi": -91.4167278863885, + "chainID": "B", "sidechain_GLN": null, - "ome": -172.950489474993, - "chi2": 161.782747706528, - "chi3": -77.3106423105157, - "chi1": -70.0564918094596, + "ome": -177.437764596998, + "chi2": 179.381103875949, + "chi3": null, + "chi1": -63.9859882510736, "chi4": null, "chi5": null, - "a1": 121.339003649657, - "L4": 1.52045554520832, - "L5": 1.21848423289066, - "L2": 1.4564611394428, - "L3": 1.52925385327223, - "a7": 121.645364722027, - "L1": 1.31427485972249, + "a1": 121.651060958966, + "L4": 1.51919436810104, + "L5": 1.22168058281799, + "L2": 1.44363363947198, + "L3": 1.51792670560264, + "a7": 122.995158079187, + "L1": 1.3308381114847, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.517799658244, - "bs": 15.0, - "a2": 109.835741001458, - "a5": 122.016152516544, - "sidechain_LEU": null, + "a3": 105.208663642588, + "bs": 16.0, + "a2": 111.07460966154, + "a5": 120.351241020382, + "sidechain_LEU": 56, "chainIndex": 189, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.561122797036 + "a4": 110.694579318907 } }, { "pk": 708, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.611466963287, - "psi": 121.004507395361, - "oldID": "191", - "bg": 20.75, - "sidechain_CYS": null, + "a6": 115.832013754508, + "psi": 112.804747043301, + "oldID": "190", + "bg": 17.38, + "sidechain_CYS": 18, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.1922294031802, + "zeta": 33.2489544095186, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 17, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 709, "sidechain_SER": null, - "bm": 18.0, + "bm": 16.0, "xpr": false, "prev": 707, "terminal_flag": false, - "phi": -140.586069959125, - "chainID": "A", + "phi": -94.6660636501317, + "chainID": "B", "sidechain_GLN": null, - "ome": -171.211519046299, - "chi2": 170.386122070398, - "chi3": 167.547715718653, - "chi1": -174.070244387853, + "ome": -178.241150102725, + "chi2": null, + "chi3": null, + "chi1": -61.8607396976379, "chi4": null, "chi5": null, - "a1": 118.989789477467, - "L4": 1.524801208567, - "L5": 1.21539548712708, - "L2": 1.44680964708067, - "L3": 1.51542431989506, - "a7": 122.074652164798, - "L1": 1.31001968415488, + "a1": 120.919073634779, + "L4": 1.54100523838327, + "L5": 1.22125547978277, + "L2": 1.44692010738363, + "L3": 1.53582953504315, + "a7": 123.162206034447, + "L1": 1.32575236802796, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.017923253222, - "bs": 20.0, - "a2": 107.501509837108, - "a5": 120.308187297694, + "ss": "S", + "a3": 109.460279713767, + "bs": 17.0, + "a2": 109.050323260721, + "a5": 120.918727929641, "sidechain_LEU": null, "chainIndex": 190, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.080273916226 + "a4": 113.418945498878 } }, { "pk": 709, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.885039322794, - "psi": 31.4006925481969, - "oldID": "192", - "bg": 0.0, + "chain": "1H0HB", + "sidechain_ASP": 47, + "a6": 117.27937190301, + "psi": 54.0710106518334, + "oldID": "191", + "bg": 18.77, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 34.765419804242, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -106042,59 +93938,59 @@ "sidechain_TRP": null, "next": 710, "sidechain_SER": null, - "bm": 19.0, + "bm": 17.0, "xpr": false, "prev": 708, "terminal_flag": false, - "phi": 74.3535808343023, - "chainID": "A", + "phi": 41.3013476148072, + "chainID": "B", "sidechain_GLN": null, - "ome": 176.676929180434, - "chi2": null, + "ome": -172.276452723481, + "chi2": -31.9685448042407, "chi3": null, - "chi1": null, + "chi1": -58.7065304983063, "chi4": null, "chi5": null, - "a1": 119.628066333472, - "L4": 1.52923324811862, - "L5": 1.27417620438977, - "L2": 1.46179154322642, - "L3": null, - "a7": 122.885607796945, - "L1": 1.32371374027347, + "a1": 124.189721328205, + "L4": 1.51914339690343, + "L5": 1.22525346442248, + "L2": 1.46357774817705, + "L3": 1.52481762069272, + "a7": 122.541094335221, + "L1": 1.32806465105886, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 109.749274795785, - "bs": 0.0, - "a2": null, - "a5": 122.147119925539, + "a3": 113.467825697882, + "bs": 18.0, + "a2": 108.83653181224, + "a5": 120.170352986487, "sidechain_LEU": null, "chainIndex": 191, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.116223862167 } }, { "pk": 710, "model": "pgd_core.residue", "fields": { - "aa": "s", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 42, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.436672906343, - "psi": 167.441959834414, - "oldID": "193", - "bg": 15.65, + "a6": 118.417703076974, + "psi": -22.6894762096586, + "oldID": "192", + "bg": 18.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.5518815722362, + "zeta": 38.7015034103842, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -106102,60 +93998,60 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 711, - "sidechain_SER": 31, - "bm": 16.0, + "sidechain_SER": null, + "bm": 18.0, "xpr": false, "prev": 709, "terminal_flag": false, - "phi": -154.804242577569, - "chainID": "A", + "phi": -60.5278639829984, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.34936931092, - "chi2": null, - "chi3": null, - "chi1": 63.452443353456, - "chi4": null, + "ome": -179.964767135853, + "chi2": -39.282301968475, + "chi3": 38.597917412166, + "chi1": 23.4389697194763, + "chi4": -24.7074428583874, "chi5": null, - "a1": 122.199412555858, - "L4": 1.52500959151406, - "L5": 1.2362466206404, - "L2": 1.45760636191725, - "L3": 1.54607437474907, - "a7": 123.487285218197, - "L1": 1.33778154885878, + "a1": 120.882070765246, + "L4": 1.53195416874006, + "L5": 1.21958483506558, + "L2": 1.47413983806291, + "L3": 1.52709883693661, + "a7": 122.744049789061, + "L1": 1.32564878928278, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.875359075624, - "bs": 15.0, - "a2": 112.9174616816, - "a5": 121.072973780601, + "omep": 6.02605911434883, + "ss": "T", + "a3": 115.520858768629, + "bs": 17.0, + "a2": 103.176972446234, + "a5": 118.836011133473, "sidechain_LEU": null, "chainIndex": 192, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.400756013338 + "a4": 109.772037016257 } }, { "pk": 711, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "d", "sidechain_PRO": null, - "sidechain_ASN": 27, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.365488365485, - "psi": 62.5229915487437, - "oldID": "194", - "bg": 15.8, + "sidechain_ASN": null, + "chain": "1H0HB", + "sidechain_ASP": 48, + "a6": 117.34256140962, + "psi": -12.0877969778452, + "oldID": "193", + "bg": 24.41, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.4950205243433, + "zeta": 35.5952522069828, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -106164,59 +94060,59 @@ "sidechain_TRP": null, "next": 712, "sidechain_SER": null, - "bm": 14.0, + "bm": 20.0, "xpr": false, "prev": 710, "terminal_flag": false, - "phi": -148.016780573644, - "chainID": "A", + "phi": -88.3069881809803, + "chainID": "B", "sidechain_GLN": null, - "ome": -168.875873028927, - "chi2": 18.5609948419528, + "ome": -172.004301905543, + "chi2": -30.0525492682857, "chi3": null, - "chi1": -175.581395640532, + "chi1": -62.6522859524, "chi4": null, "chi5": null, - "a1": 121.572803106317, - "L4": 1.52715891851482, - "L5": 1.2434686140173, - "L2": 1.45742793096471, - "L3": 1.53185507745271, - "a7": 123.197493622114, - "L1": 1.3226986824669, + "a1": 120.436562914362, + "L4": 1.533480686386, + "L5": 1.2418747346893, + "L2": 1.45672850465686, + "L3": 1.52300153467998, + "a7": 122.59957100164, + "L1": 1.32710725068321, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.458231661539, - "bs": 15.0, - "a2": 108.706260711238, - "a5": 121.420764443462, + "ss": "T", + "a3": 114.159067139222, + "bs": 24.0, + "a2": 109.617365489693, + "a5": 120.055438288453, "sidechain_LEU": null, "chainIndex": 193, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.739354753656 + "a4": 107.935608150013 } }, { "pk": 712, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 35, + "aa": "d", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 119.689806715599, - "psi": -27.5878313393766, - "oldID": "195", - "bg": 15.31, + "chain": "1H0HB", + "sidechain_ASP": 49, + "a6": 116.993449613132, + "psi": -13.067382358065, + "oldID": "194", + "bg": 23.87, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.7856848667143, + "zeta": 34.2882979339027, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -106225,120 +94121,120 @@ "sidechain_TRP": null, "next": 713, "sidechain_SER": null, - "bm": 13.0, + "bm": 18.0, "xpr": false, "prev": 711, "terminal_flag": false, - "phi": -58.5017061230408, - "chainID": "A", + "phi": -111.04127337338, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.503039573393, - "chi2": 37.5494115287451, - "chi3": -35.5741547412674, - "chi1": -24.0356763223205, - "chi4": 20.7662654921471, + "ome": -173.737826354981, + "chi2": -63.195287191633, + "chi3": null, + "chi1": -49.1379102870864, + "chi4": null, "chi5": null, - "a1": 121.559684577049, - "L4": 1.51945272808234, - "L5": 1.23910959724939, - "L2": 1.46594768098546, - "L3": 1.52576610921004, - "a7": 122.876346180095, - "L1": 1.32491934015877, + "a1": 120.056201279531, + "L4": 1.52605487873798, + "L5": 1.25306222673199, + "L2": 1.47028544850827, + "L3": 1.53139381772905, + "a7": 122.555544328652, + "L1": 1.3306899429868, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 7.57953691360624, - "ss": "H", - "a3": 116.318398788917, - "bs": 14.0, - "a2": 103.569359673214, - "a5": 117.375026448249, + "omep": null, + "ss": "T", + "a3": 117.658275875842, + "bs": 24.0, + "a2": 109.733763255267, + "a5": 120.450719241411, "sidechain_LEU": null, "chainIndex": 194, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.806790645177 + "a4": 108.403750581061 } }, { "pk": 713, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.288216676905, - "psi": -25.6544351295216, - "oldID": "196", - "bg": 0.0, + "a6": 116.733918162373, + "psi": 164.507894686801, + "oldID": "195", + "bg": 16.19, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.1058451057119, + "zeta": 35.1315912059391, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 55, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 714, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 712, "terminal_flag": false, - "phi": -66.2094260718951, - "chainID": "A", + "phi": -128.101354800501, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.371721540194, + "ome": 176.442731076361, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -54.9664194908901, "chi4": null, "chi5": null, - "a1": 117.280146096548, - "L4": 1.53653620972738, - "L5": 1.23543663593959, - "L2": 1.46834538325904, - "L3": 1.51942296539901, - "a7": 122.078064666731, - "L1": 1.32626537097386, + "a1": 120.112057590554, + "L4": 1.52328729545025, + "L5": 1.21997127925029, + "L2": 1.46155676691822, + "L3": 1.54674288816034, + "a7": 122.706353600454, + "L1": 1.33010025258115, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.196626020264, - "bs": 14.0, - "a2": 112.045187399002, - "a5": 120.62137573546, + "ss": "-", + "a3": 113.006894585827, + "bs": 15.0, + "a2": 110.542506689178, + "a5": 120.557893679621, "sidechain_LEU": null, "chainIndex": 195, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.127147745829 + "a4": 108.270925174935 } }, { "pk": 714, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.512631570893, - "psi": -35.3984332483447, - "oldID": "197", - "bg": 14.23, + "a6": 116.932609356156, + "psi": -24.5795000009802, + "oldID": "196", + "bg": 14.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 34.9376078065293, + "zeta": 32.9942215228005, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -106347,62 +94243,62 @@ "sidechain_TRP": null, "next": 715, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 713, "terminal_flag": false, - "phi": -99.7141929493638, - "chainID": "A", + "phi": -96.2231989788655, + "chainID": "B", "sidechain_GLN": null, - "ome": -172.967512980359, - "chi2": -169.504281387902, - "chi3": 53.373310860544, - "chi1": -59.7968316751303, - "chi4": null, - "chi5": null, - "a1": 120.67936027434, - "L4": 1.5121969031222, - "L5": 1.22799469772779, - "L2": 1.46586582570889, - "L3": 1.5121474119819, - "a7": 122.874834640039, - "L1": 1.33879174592533, - "sidechain_ARG": null, + "ome": 175.083988646408, + "chi2": 172.003456843718, + "chi3": -177.662024639565, + "chi1": -70.1810297316792, + "chi4": -77.9332628454686, + "chi5": -1.18962685586173, + "a1": 120.277095131787, + "L4": 1.53156029577943, + "L5": 1.22863216325617, + "L2": 1.46072032653305, + "L3": 1.52859294072982, + "a7": 122.345930304549, + "L1": 1.32958787331759, + "sidechain_ARG": 34, "sidechain_TYR": null, - "sidechain_GLU": 64, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.631261036051, + "ss": "S", + "a3": 112.539508888324, "bs": 15.0, - "a2": 110.082911469107, - "a5": 120.611204825191, + "a2": 110.971856062945, + "a5": 120.721132052778, "sidechain_LEU": null, "chainIndex": 196, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.759234334125 + "a4": 110.672605831981 } }, { "pk": 715, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "v", "sidechain_PRO": null, - "sidechain_ASN": 28, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.882290567622, - "psi": -14.8487570318536, - "oldID": "198", - "bg": 15.1, + "a6": 116.571534228056, + "psi": 103.249674853525, + "oldID": "197", + "bg": 13.92, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.0321501317559, + "zeta": 33.6256063859455, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 56, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, @@ -106412,55 +94308,55 @@ "xpr": false, "prev": 714, "terminal_flag": false, - "phi": -100.163317503481, - "chainID": "A", + "phi": -96.3267345658939, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.151263965952, - "chi2": -33.6542940243947, + "ome": -174.815647822347, + "chi2": null, "chi3": null, - "chi1": -57.6102594541256, + "chi1": -179.82971874762, "chi4": null, "chi5": null, - "a1": 119.064289169269, - "L4": 1.51063948915835, - "L5": 1.24101151177653, - "L2": 1.44724678219768, - "L3": 1.54159813022404, - "a7": 122.747654391286, - "L1": 1.33012453899098, + "a1": 120.891527328995, + "L4": 1.52596043060225, + "L5": 1.24400252510641, + "L2": 1.45030963913865, + "L3": 1.54991692941369, + "a7": 122.700737668023, + "L1": 1.32314084462045, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 116.700722139552, + "ss": "E", + "a3": 106.993308222528, "bs": 14.0, - "a2": 108.759148798285, - "a5": 120.364443691102, + "a2": 111.913339518881, + "a5": 120.727180135837, "sidechain_LEU": null, "chainIndex": 197, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.758195273517 + "a4": 111.002071598811 } }, { "pk": 716, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.048133354617, - "psi": 55.5150661726121, - "oldID": "199", - "bg": 15.25, + "a6": 117.748188217061, + "psi": 111.3354611833, + "oldID": "198", + "bg": 16.16, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 37, "protein": "1H0H", - "zeta": 33.5713813541183, + "zeta": 33.9525696043023, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -106473,56 +94369,56 @@ "xpr": false, "prev": 715, "terminal_flag": false, - "phi": -143.415183092085, - "chainID": "A", + "phi": -100.223205626564, + "chainID": "B", "sidechain_GLN": null, - "ome": -162.482656589478, - "chi2": null, + "ome": 177.042165676249, + "chi2": 168.826369090469, "chi3": null, - "chi1": -60.3688225446874, + "chi1": -53.7109880869399, "chi4": null, "chi5": null, - "a1": 122.098547641928, - "L4": 1.51116296896709, - "L5": 1.22155289227731, - "L2": 1.45954652523374, - "L3": 1.52539536854076, - "a7": 124.027988949602, - "L1": 1.33797805779003, + "a1": 120.927089212335, + "L4": 1.54371864414794, + "L5": 1.23477869238155, + "L2": 1.45666275369641, + "L3": 1.54450705414846, + "a7": 122.6141608729, + "L1": 1.33455225711703, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.83094457702, - "bs": 14.0, - "a2": 111.598012730198, - "a5": 120.900108683972, + "ss": "E", + "a3": 113.806926820362, + "bs": 15.0, + "a2": 111.223374708113, + "a5": 119.632491169919, "sidechain_LEU": null, "chainIndex": 198, - "sidechain_HIS": 30, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.86700436909 + "a4": 108.807789114581 } }, { "pk": 717, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 36, + "aa": "f", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.65511228791, - "psi": -45.3777628595706, - "oldID": "200", - "bg": 15.76, + "a6": 115.467480925645, + "psi": 135.514837660912, + "oldID": "199", + "bg": 15.26, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 37.0077830043403, - "sidechain_PHE": null, + "zeta": 35.0006165522856, + "sidechain_PHE": 31, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -106534,55 +94430,55 @@ "xpr": false, "prev": 716, "terminal_flag": false, - "phi": -49.3298244155534, - "chainID": "A", + "phi": -91.1408503932407, + "chainID": "B", "sidechain_GLN": null, - "ome": -176.163623044554, - "chi2": 36.6586497847412, - "chi3": -30.5912735224052, - "chi1": -27.9834752523098, - "chi4": 13.7337859082568, + "ome": 170.965654564474, + "chi2": 83.3100269991087, + "chi3": null, + "chi1": -63.5561960538146, + "chi4": null, "chi5": null, - "a1": 121.81078544687, - "L4": 1.51082600790138, - "L5": 1.23337928280862, - "L2": 1.46797703983329, - "L3": 1.53643443010058, - "a7": 123.366540275907, - "L1": 1.31446244071452, + "a1": 121.453471310315, + "L4": 1.53110207750285, + "L5": 1.24610819805551, + "L2": 1.47162074965744, + "L3": 1.51750401480847, + "a7": 123.843307067605, + "L1": 1.33698398934888, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 15.683458987764, - "ss": "T", - "a3": 116.808531663148, - "bs": 16.0, - "a2": 103.147032650846, - "a5": 117.978341519523, + "omep": null, + "ss": "E", + "a3": 113.208102585072, + "bs": 15.0, + "a2": 112.539975400375, + "a5": 120.683321011822, "sidechain_LEU": null, "chainIndex": 199, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.94279483762 + "a4": 105.886760340567 } }, { "pk": 718, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.090591775001, - "psi": -18.1783823825957, - "oldID": "201", - "bg": 15.0, + "a6": 116.652525490089, + "psi": 130.142885365027, + "oldID": "200", + "bg": 15.63, "sidechain_CYS": null, - "sidechain_ILE": 38, + "sidechain_ILE": null, "protein": "1H0H", - "zeta": 29.5077972035886, + "zeta": 35.1958939801427, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -106591,121 +94487,121 @@ "sidechain_TRP": null, "next": 719, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 717, "terminal_flag": false, - "phi": -66.2806537361776, - "chainID": "A", + "phi": -100.666381659227, + "chainID": "B", "sidechain_GLN": null, - "ome": 172.847378393652, - "chi2": 47.3750726838588, + "ome": 174.129757885435, + "chi2": 62.2718782655861, "chi3": null, - "chi1": -92.4891437081167, + "chi1": 169.618867980925, "chi4": null, "chi5": null, - "a1": 119.19661687133, - "L4": 1.53322118656767, - "L5": 1.27056640742717, - "L2": 1.46227352341141, - "L3": 1.56210866063328, - "a7": 122.456271300923, - "L1": 1.32504508834493, + "a1": 122.726010243436, + "L4": 1.51096611400003, + "L5": 1.239460901759, + "L2": 1.44805226654825, + "L3": 1.53427059545277, + "a7": 123.420279852178, + "L1": 1.33161623002279, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.577168437549, - "bs": 14.0, - "a2": 111.42844511471, - "a5": 121.42326265354, - "sidechain_LEU": null, + "ss": "E", + "a3": 106.316990300152, + "bs": 16.0, + "a2": 111.746442628174, + "a5": 119.866224836792, + "sidechain_LEU": 57, "chainIndex": 200, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 115.515776072599 + "a4": 108.820331458992 } }, { "pk": 719, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.178923628643, - "psi": -29.674509400083, - "oldID": "202", - "bg": 14.33, + "a6": 116.442579575036, + "psi": 153.183790827332, + "oldID": "201", + "bg": 20.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.2210290922791, + "zeta": 33.065327456619, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 33, "sidechain_TRP": null, "next": 720, - "sidechain_SER": 32, - "bm": 14.0, + "sidechain_SER": null, + "bm": 17.0, "xpr": false, "prev": 718, "terminal_flag": false, - "phi": -54.7238953335206, - "chainID": "A", + "phi": -120.971505328737, + "chainID": "B", "sidechain_GLN": null, - "ome": -177.471132297425, + "ome": -178.236786623901, "chi2": null, "chi3": null, - "chi1": 74.7136904684733, + "chi1": 50.0270887627761, "chi4": null, "chi5": null, - "a1": 118.142383945311, - "L4": 1.51618986966316, - "L5": 1.23350553952711, - "L2": 1.4736276292843, - "L3": 1.52880424362233, - "a7": 122.639645511967, - "L1": 1.33206807325162, + "a1": 122.003229016276, + "L4": 1.50138157619848, + "L5": 1.23388283201278, + "L2": 1.4586790667114, + "L3": 1.53992550556826, + "a7": 123.397906205927, + "L1": 1.32808822482407, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.787451301715, - "bs": 15.0, - "a2": 113.045586424709, - "a5": 120.181133937265, + "ss": "E", + "a3": 107.93621558632, + "bs": 19.0, + "a2": 112.761644182164, + "a5": 120.157187076055, "sidechain_LEU": null, "chainIndex": 201, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.868571885259 + "a4": 110.654050017394 } }, { "pk": 720, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.345771001858, - "psi": -17.6822268612105, - "oldID": "203", - "bg": 16.67, + "a6": 116.468995436964, + "psi": -9.16214965209426, + "oldID": "202", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 26.8908307584292, - "sidechain_PHE": 24, + "zeta": 33.6701055849596, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -106713,303 +94609,303 @@ "sidechain_TRP": null, "next": 721, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 719, "terminal_flag": false, - "phi": -67.401491530221, - "chainID": "A", + "phi": -93.6710686240647, + "chainID": "B", "sidechain_GLN": null, - "ome": 173.611613032516, - "chi2": 60.8672851759558, + "ome": -178.690550222076, + "chi2": null, "chi3": null, - "chi1": -105.93318780717, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.66935406822, - "L4": 1.52901513693858, - "L5": 1.21355327702803, - "L2": 1.45756836958077, - "L3": 1.54364351545187, - "a7": 121.613715454994, - "L1": 1.32943241453168, + "a1": 121.087327138308, + "L4": 1.53091135340595, + "L5": 1.21049119131517, + "L2": 1.44898380010581, + "L3": 1.53187239270839, + "a7": 123.125315672276, + "L1": 1.33152693265648, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.662855681015, - "bs": 16.0, - "a2": 113.67458362065, - "a5": 121.009997208871, + "ss": "S", + "a3": 112.030733181792, + "bs": 15.0, + "a2": 110.354832963415, + "a5": 120.401607633295, "sidechain_LEU": null, "chainIndex": 202, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 115.316606874303 + "a4": 110.659348050623 } }, { "pk": 721, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.199100659956, - "psi": -43.7706247688773, - "oldID": "204", - "bg": 13.15, + "a6": 116.315865047273, + "psi": 178.142776775687, + "oldID": "203", + "bg": 17.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.800960655518, + "zeta": 35.9413056985269, "sidechain_PHE": null, - "sidechain_LYS": 37, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 722, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 720, "terminal_flag": false, - "phi": -59.7817240398944, - "chainID": "A", + "phi": -145.796173149507, + "chainID": "B", "sidechain_GLN": null, - "ome": -174.04854592074, - "chi2": 177.275209797924, - "chi3": -62.7111721874246, - "chi1": 167.718950784211, - "chi4": -79.9784453417848, + "ome": 174.855590091982, + "chi2": null, + "chi3": null, + "chi1": -45.0883614524099, + "chi4": null, "chi5": null, - "a1": 118.85830846602, - "L4": 1.5462052080829, - "L5": 1.2407034838587, - "L2": 1.4582259095923, - "L3": 1.53321205463484, - "a7": 122.862062572773, - "L1": 1.31454746540303, + "a1": 122.44126749889, + "L4": 1.51521176718772, + "L5": 1.22449091688171, + "L2": 1.45286701652226, + "L3": 1.54009887766355, + "a7": 123.232479764507, + "L1": 1.3253467141568, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.608900388547, - "bs": 14.0, - "a2": 109.905003187807, - "a5": 121.937131895273, + "ss": "S", + "a3": 108.135604030664, + "bs": 18.0, + "a2": 110.307172031424, + "a5": 120.451573943736, "sidechain_LEU": null, "chainIndex": 203, - "sidechain_HIS": null, + "sidechain_HIS": 31, "h_bond_energy": 0.0, - "a4": 109.110947829777 + "a4": 108.699010451191 } }, { "pk": 722, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 24, + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.041940469401, - "psi": -37.8653248688481, - "oldID": "205", - "bg": 14.32, - "sidechain_CYS": null, + "a6": 116.513401093283, + "psi": 116.298511188944, + "oldID": "204", + "bg": 17.52, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.0315216492212, + "zeta": 36.2421428551203, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 10, + "sidechain_TRP": null, "next": 723, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 721, "terminal_flag": false, - "phi": -82.8432085319349, - "chainID": "A", + "phi": -38.886097536121, + "chainID": "B", "sidechain_GLN": null, - "ome": 175.35053946124, - "chi2": 104.197161166955, + "ome": 178.335276650795, + "chi2": 11.5447453027648, "chi3": null, - "chi1": -56.5336797007391, + "chi1": 173.615107742277, "chi4": null, "chi5": null, - "a1": 121.352555471869, - "L4": 1.53123362685283, - "L5": 1.21442513861392, - "L2": 1.47254380890299, - "L3": 1.53011826715333, - "a7": 122.675958283193, - "L1": 1.31830792465581, + "a1": 122.021543807962, + "L4": 1.53915132549519, + "L5": 1.23002873842813, + "L2": 1.45119129824009, + "L3": 1.51962888264852, + "a7": 123.148358751852, + "L1": 1.32431434066354, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.107271324641, - "bs": 15.0, - "a2": 109.2948283393, - "a5": 121.270656268529, + "ss": "-", + "a3": 111.333314602467, + "bs": 17.0, + "a2": 108.003431342493, + "a5": 120.221751856633, "sidechain_LEU": null, "chainIndex": 204, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.750258529682 + "a4": 109.392495745657 } }, { "pk": 723, "model": "pgd_core.residue", "fields": { - "aa": "v", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 43, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.776005418621, - "psi": -45.0275691699749, - "oldID": "206", - "bg": 12.0, + "a6": 115.830045338892, + "psi": -36.9166590884869, + "oldID": "205", + "bg": 16.69, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.4265772348642, + "zeta": 39.133212410231, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 59, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 724, "sidechain_SER": null, - "bm": 13.0, + "bm": 15.0, "xpr": false, "prev": 722, "terminal_flag": false, - "phi": -59.5654812503287, - "chainID": "A", + "phi": -44.1893138005084, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.995672103786, - "chi2": null, - "chi3": null, - "chi1": 172.114852045371, - "chi4": null, + "ome": -178.846607831828, + "chi2": 34.2482684615355, + "chi3": -21.6301611149301, + "chi1": -33.2674600589507, + "chi4": 0.101613714707405, "chi5": null, - "a1": 121.234176489394, - "L4": 1.53023091326602, - "L5": 1.22378601464461, - "L2": 1.45000854300927, - "L3": 1.52755750648669, - "a7": 122.976134042668, - "L1": 1.32182032233475, + "a1": 124.332296689419, + "L4": 1.52756309940116, + "L5": 1.24625385801461, + "L2": 1.47207162032369, + "L3": 1.53790370838219, + "a7": 123.372983596366, + "L1": 1.3345510711107, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.470960083712, - "bs": 12.0, - "a2": 110.469479842371, - "a5": 119.182718163801, + "omep": -6.32908983266278, + "ss": "G", + "a3": 115.962773191472, + "bs": 16.0, + "a2": 102.549118776834, + "a5": 120.77472492079, "sidechain_LEU": null, "chainIndex": 205, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.001840570405 + "a4": 109.888310335786 } }, { "pk": 724, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.534133887314, - "psi": -32.5810094559997, - "oldID": "207", - "bg": 17.39, + "a6": 116.837279835014, + "psi": -12.8993726810174, + "oldID": "206", + "bg": 16.79, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 31.9695002920074, + "zeta": 31.5631362564227, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 37, "sidechain_VAL": null, - "sidechain_MET": 18, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 725, "sidechain_SER": null, - "bm": 14.0, + "bm": 15.0, "xpr": false, "prev": 723, "terminal_flag": false, - "phi": -70.9087201213341, - "chainID": "A", + "phi": -69.2968560461594, + "chainID": "B", "sidechain_GLN": null, - "ome": 172.672295323238, - "chi2": -62.9460300160083, - "chi3": -60.7561259516152, - "chi1": -66.0637830080642, - "chi4": null, + "ome": 174.448331966191, + "chi2": 176.36051977626, + "chi3": 177.878975229424, + "chi1": -73.7428771502485, + "chi4": 45.7776271236766, "chi5": null, - "a1": 121.020499245558, - "L4": 1.53360048602839, - "L5": 1.23235839035824, - "L2": 1.47475215897261, - "L3": 1.53363911889853, - "a7": 122.025008203263, - "L1": 1.33556352969992, + "a1": 122.250513858285, + "L4": 1.54110771788205, + "L5": 1.23392657761422, + "L2": 1.44964707042067, + "L3": 1.53534160008972, + "a7": 122.031676046616, + "L1": 1.32669523756444, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.986649410007, + "ss": "G", + "a3": 113.054370427534, "bs": 18.0, - "a2": 112.712835880707, - "a5": 120.326604631773, + "a2": 109.957995871104, + "a5": 121.130857005819, "sidechain_LEU": null, "chainIndex": 206, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.223006069017 + "a4": 113.475780498633 } }, { "pk": 725, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 118.123328026101, - "psi": -37.4967260479551, - "oldID": "208", - "bg": 14.77, + "a6": 116.515647899247, + "psi": -19.7370685622087, + "oldID": "207", + "bg": 14.3, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 29.6146081925613, + "zeta": 34.3058055424108, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107022,55 +94918,55 @@ "xpr": false, "prev": 724, "terminal_flag": false, - "phi": -62.672126246507, - "chainID": "A", - "sidechain_GLN": null, - "ome": 173.106405282164, - "chi2": 173.293150933703, - "chi3": -179.257865001572, - "chi1": -75.7243167697369, - "chi4": 165.90480455114, - "chi5": 1.425235335717, - "a1": 118.485197951889, - "L4": 1.53514166183492, - "L5": 1.23543036924171, - "L2": 1.46927849984451, - "L3": 1.53094208337373, - "a7": 121.529365204822, - "L1": 1.32968825890779, - "sidechain_ARG": 35, + "phi": -79.7421266548638, + "chainID": "B", + "sidechain_GLN": null, + "ome": 176.2366959454, + "chi2": 173.608166955149, + "chi3": null, + "chi1": -67.2863122171439, + "chi4": null, + "chi5": null, + "a1": 120.93254610948, + "L4": 1.5275713263761, + "L5": 1.23493047668046, + "L2": 1.46348583462076, + "L3": 1.52562392988289, + "a7": 122.523085675862, + "L1": 1.32012723211586, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.101775538898, - "bs": 15.0, - "a2": 113.004928753941, - "a5": 120.347253233787, - "sidechain_LEU": null, + "ss": "G", + "a3": 108.485381676327, + "bs": 14.0, + "a2": 111.051851097986, + "a5": 120.954457495133, + "sidechain_LEU": 58, "chainIndex": 207, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.243264325083 + "a4": 109.992962603881 } }, { "pk": 726, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.295247519329, - "psi": -43.8157578365852, - "oldID": "209", - "bg": 0.0, + "a6": 116.147386394851, + "psi": -42.7973475450442, + "oldID": "208", + "bg": 15.4, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.6544821035258, + "zeta": 34.355800237827, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107079,120 +94975,120 @@ "sidechain_TRP": null, "next": 727, "sidechain_SER": null, - "bm": 14.0, + "bm": 16.0, "xpr": false, "prev": 725, "terminal_flag": false, - "phi": -62.8712969708856, - "chainID": "A", + "phi": -89.9649509957104, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.202546389818, - "chi2": null, + "ome": -178.365458572177, + "chi2": 72.478887015176, "chi3": null, - "chi1": null, + "chi1": -68.2550299277959, "chi4": null, "chi5": null, - "a1": 119.195711831178, - "L4": 1.53275373697874, - "L5": 1.22521918887137, - "L2": 1.4585171866469, - "L3": 1.54779841231768, - "a7": 122.808569134629, - "L1": 1.33140518339946, + "a1": 120.687751702868, + "L4": 1.52119612564323, + "L5": 1.23809726314855, + "L2": 1.46990140760754, + "L3": 1.5275644669758, + "a7": 122.724559346636, + "L1": 1.32321610798796, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 21, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.97434210058, + "ss": "T", + "a3": 111.18673433075, "bs": 15.0, - "a2": 111.197569603261, - "a5": 120.889193308614, + "a2": 111.801851971651, + "a5": 121.127646561299, "sidechain_LEU": null, "chainIndex": 208, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.292057720908 + "a4": 108.371675103501 } }, { "pk": 727, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.486392327289, - "psi": -39.7766848541665, - "oldID": "210", - "bg": 17.8, + "a6": 115.973012593061, + "psi": 137.976446043303, + "oldID": "209", + "bg": 17.31, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 33.4543580723603, + "zeta": 34.8034169472985, "sidechain_PHE": null, - "sidechain_LYS": 38, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 728, "sidechain_SER": null, - "bm": 16.0, + "bm": 15.0, "xpr": false, "prev": 726, "terminal_flag": false, - "phi": -59.2684068550045, - "chainID": "A", + "phi": -166.93747587827, + "chainID": "B", "sidechain_GLN": null, - "ome": 179.626266226164, - "chi2": -171.884627513156, - "chi3": -177.259529159702, - "chi1": -174.003915949038, - "chi4": 77.8986523395677, + "ome": -175.318949371708, + "chi2": null, + "chi3": null, + "chi1": 179.132880651401, + "chi4": null, "chi5": null, - "a1": 121.350217801265, - "L4": 1.5425601428066, - "L5": 1.22879703771541, - "L2": 1.46318875525571, - "L3": 1.54104835169399, - "a7": 122.440517981926, - "L1": 1.32692467106311, + "a1": 120.881785825373, + "L4": 1.50992574325288, + "L5": 1.23849938511452, + "L2": 1.45924998258465, + "L3": 1.53256530029692, + "a7": 123.751332629272, + "L1": 1.32488011690328, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.694573496756, - "bs": 19.0, - "a2": 110.541826888128, - "a5": 120.997567841227, + "ss": "-", + "a3": 108.350511447329, + "bs": 17.0, + "a2": 110.295028505766, + "a5": 120.234383225271, "sidechain_LEU": null, "chainIndex": 209, - "sidechain_HIS": null, + "sidechain_HIS": 32, "h_bond_energy": 0.0, - "a4": 111.821725009279 + "a4": 110.276752183154 } }, { "pk": 728, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 42, - "a6": 115.690634081124, - "psi": -22.3831810126679, - "oldID": "211", - "bg": 18.85, + "chain": "1H0HB", + "sidechain_ASP": null, + "a6": 115.881047927653, + "psi": -23.8788009054738, + "oldID": "210", + "bg": 24.23, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 36.0255136677533, + "zeta": 33.5430341164394, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107205,116 +95101,116 @@ "xpr": false, "prev": 727, "terminal_flag": false, - "phi": -61.6041215572617, - "chainID": "A", + "phi": -59.2278056675521, + "chainID": "B", "sidechain_GLN": null, - "ome": -178.326647174075, - "chi2": -21.0323650610421, - "chi3": null, - "chi1": -70.1486942365682, + "ome": -177.966356409024, + "chi2": -176.213897268563, + "chi3": -29.5010860679514, + "chi1": 58.5129079995948, "chi4": null, "chi5": null, - "a1": 121.880133397273, - "L4": 1.51606042320381, - "L5": 1.22749958120854, - "L2": 1.46235248575882, - "L3": 1.52109474353641, - "a7": 123.257459231868, - "L1": 1.33246809998586, + "a1": 121.01288355536, + "L4": 1.51267785450357, + "L5": 1.23247442564519, + "L2": 1.47341089476959, + "L3": 1.52858296794551, + "a7": 123.051447092705, + "L1": 1.32999358541947, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 63, "omep": null, - "ss": "H", - "a3": 111.414121366051, - "bs": 19.0, - "a2": 111.060211377558, - "a5": 121.036674270665, + "ss": "T", + "a3": 112.614406752263, + "bs": 25.0, + "a2": 110.861948866371, + "a5": 121.052964921383, "sidechain_LEU": null, "chainIndex": 210, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.654068912879 + "a4": 110.037383934499 } }, { "pk": 729, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 115.828646468638, - "psi": -1.74212159536697, - "oldID": "212", - "bg": 25.24, + "a6": 116.13689160424, + "psi": 24.0285327130367, + "oldID": "211", + "bg": 22.71, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 32.6909185564197, + "zeta": 34.0374617333545, "sidechain_PHE": null, - "sidechain_LYS": 39, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 730, "sidechain_SER": null, - "bm": 20.0, + "bm": 19.0, "xpr": false, "prev": 728, "terminal_flag": false, - "phi": -94.4596378300298, - "chainID": "A", + "phi": -115.854232506275, + "chainID": "B", "sidechain_GLN": null, - "ome": 178.379196726891, - "chi2": -161.061254983228, - "chi3": -84.2250422111185, - "chi1": -64.2948520661022, - "chi4": 162.511790572413, + "ome": 174.945376715694, + "chi2": -57.3929340523379, + "chi3": null, + "chi1": -57.5855968487561, + "chi4": null, "chi5": null, - "a1": 122.538349175415, - "L4": 1.51700660217032, - "L5": 1.22222896997439, - "L2": 1.46071907519998, - "L3": 1.51442657110113, - "a7": 122.801676400984, - "L1": 1.32458482701227, + "a1": 121.490872031807, + "L4": 1.50952026792839, + "L5": 1.22149520315875, + "L2": 1.44775106365834, + "L3": 1.51994898036168, + "a7": 123.443940515782, + "L1": 1.32276176845697, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 22, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 112.792069365474, - "bs": 27.0, - "a2": 110.049878459996, - "a5": 121.294067202492, + "a3": 112.199526504057, + "bs": 24.0, + "a2": 110.402108876708, + "a5": 120.382440534488, "sidechain_LEU": null, "chainIndex": 211, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.838445892048 + "a4": 110.037305489145 } }, { "pk": 730, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 117.745936964762, - "psi": 3.56593733093018, - "oldID": "213", + "a6": 118.25587217551, + "psi": -45.5421780217134, + "oldID": "212", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": null, + "zeta": 33.1901034518767, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107323,242 +95219,242 @@ "sidechain_TRP": null, "next": 731, "sidechain_SER": null, - "bm": 18.0, + "bm": 19.0, "xpr": false, "prev": 729, "terminal_flag": false, - "phi": 111.020777710029, - "chainID": "A", + "phi": -54.6500321582069, + "chainID": "B", "sidechain_GLN": null, - "ome": -179.318479361316, + "ome": 174.81505438223, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 119.913985215939, - "L4": 1.51479293490938, - "L5": 1.21382100930444, - "L2": 1.44374120732483, - "L3": null, - "a7": 122.812618112888, - "L1": 1.31876988808942, + "a1": 122.442693838177, + "L4": 1.53196013132142, + "L5": 1.23228319428854, + "L2": 1.46435609528676, + "L3": 1.49908433531585, + "a7": 122.581926974095, + "L1": 1.32256326627807, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.737908219416, - "bs": 0.0, - "a2": null, - "a5": 119.434674153878, + "ss": "S", + "a3": 112.531509042552, + "bs": 19.0, + "a2": 110.714510358, + "a5": 119.111190548364, "sidechain_LEU": null, "chainIndex": 212, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.321305107562 } }, { "pk": 731, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 114.749208785204, - "psi": 150.204140316547, - "oldID": "214", - "bg": 0.0, + "a6": 116.729570937244, + "psi": 159.569706404982, + "oldID": "213", + "bg": 19.33, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.0999357928603, + "zeta": 32.6147754065819, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 57, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 732, "sidechain_SER": null, - "bm": 16.0, + "bm": 18.0, "xpr": false, "prev": 730, "terminal_flag": false, - "phi": -67.9333842710425, - "chainID": "A", + "phi": -120.157128018381, + "chainID": "B", "sidechain_GLN": null, - "ome": 174.581997715212, + "ome": -177.49187040296, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -60.874232961198, "chi4": null, "chi5": null, - "a1": 120.305803487433, - "L4": 1.5245759207063, - "L5": 1.23961358194811, - "L2": 1.45677502876723, - "L3": 1.5392032237837, - "a7": 124.246106661053, - "L1": 1.3296633623476, + "a1": 120.365282909338, + "L4": 1.51857415611614, + "L5": 1.22626793551515, + "L2": 1.47529433231751, + "L3": 1.53492620508239, + "a7": 122.83232078284, + "L1": 1.33652564477126, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 111.819004722258, - "bs": 15.0, - "a2": 110.125248696081, - "a5": 121.002647821645, + "a3": 109.751895319537, + "bs": 19.0, + "a2": 114.425494070612, + "a5": 120.43650676259, "sidechain_LEU": null, "chainIndex": 213, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.034674467041 + "a4": 108.720468360105 } }, { "pk": 732, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1H0HB", "sidechain_ASP": null, - "a6": 116.649203675042, - "psi": 126.52453147236, - "oldID": "215", - "bg": 17.67, + "a6": null, + "psi": null, + "oldID": "214", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1H0H", - "zeta": 35.3692943210055, + "zeta": 33.5543732590874, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 32, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 733, + "next": null, "sidechain_SER": null, - "bm": 15.0, + "bm": 24.0, "xpr": false, "prev": 731, - "terminal_flag": false, - "phi": -96.6867237646299, - "chainID": "A", + "terminal_flag": true, + "phi": -69.0265976755833, + "chainID": "B", "sidechain_GLN": null, - "ome": 177.820029870505, + "ome": null, "chi2": null, "chi3": null, - "chi1": -69.7074364401217, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.121099987227, - "L4": 1.52755154452909, - "L5": 1.22918136461814, - "L2": 1.44790372320329, - "L3": 1.52989170996496, - "a7": 123.15381752413, - "L1": 1.32247211265473, + "a1": 120.496391213155, + "L4": 1.53065224319222, + "L5": 1.24071748254105, + "L2": 1.45845784669524, + "L3": 1.51126211702218, + "a7": null, + "L1": 1.32408128478322, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.512054013034, - "bs": 16.0, - "a2": 110.500404634437, - "a5": 120.173376488331, + "ss": "-", + "a3": 110.645420897903, + "bs": 22.0, + "a2": 110.656355559659, + "a5": 120.591248665405, "sidechain_LEU": null, "chainIndex": 214, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.355422280206 + "a4": 110.680344652394 } }, { "pk": 733, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.429804922813, - "psi": 130.881615315206, - "oldID": "216", - "bg": 15.0, + "a6": 116.342337235972, + "psi": 101.649969958817, + "oldID": "2", + "bg": 143.3, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.0474437258951, + "protein": "1TWF", + "zeta": 34.3622830342147, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 58, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 734, "sidechain_SER": null, - "bm": 14.0, + "bm": 143.0, "xpr": false, - "prev": 732, + "prev": null, "terminal_flag": false, - "phi": -105.871321702819, + "phi": null, "chainID": "A", "sidechain_GLN": null, - "ome": -176.290779238685, - "chi2": -174.71204600113, + "ome": -179.414060954652, + "chi2": null, "chi3": null, - "chi1": -51.6049777362822, + "chi1": 48.5562782934041, "chi4": null, "chi5": null, - "a1": 121.464389635909, - "L4": 1.52223449282148, - "L5": 1.24193328145399, - "L2": 1.45033265029591, - "L3": 1.53676335079096, - "a7": 123.985613788362, - "L1": 1.32703299005082, + "a1": null, + "L4": 1.52906597041749, + "L5": 1.2322763214382, + "L2": 1.4905042069386, + "L3": 1.55003376184421, + "a7": 122.97567745139, + "L1": null, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.303942417331, - "bs": 15.0, - "a2": 110.801515036735, - "a5": 120.521568892182, - "sidechain_LEU": 61, - "chainIndex": 215, + "ss": "-", + "a3": 110.629060392934, + "bs": 143.0, + "a2": 110.730017466855, + "a5": 120.681984690757, + "sidechain_LEU": null, + "chainIndex": 1, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.669169314451 + "a4": 109.717833971254 } }, { "pk": 734, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.744739936201, - "psi": 133.974467134971, - "oldID": "217", - "bg": 15.71, + "a6": 116.483256207875, + "psi": 84.7144371749745, + "oldID": "3", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 39, - "protein": "1H0H", - "zeta": 36.8044560812585, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107567,59 +95463,59 @@ "sidechain_TRP": null, "next": 735, "sidechain_SER": null, - "bm": 15.0, + "bm": 140.0, "xpr": false, "prev": 733, "terminal_flag": false, - "phi": -128.054873435209, + "phi": 71.830131748173, "chainID": "A", "sidechain_GLN": null, - "ome": 176.842217493198, - "chi2": -171.949085668097, + "ome": -178.575905467355, + "chi2": null, "chi3": null, - "chi1": -46.7893378178505, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.280296270984, - "L4": 1.50997464193619, - "L5": 1.24379402635075, - "L2": 1.44912639421638, - "L3": 1.54456927982672, - "a7": 123.314481068704, - "L1": 1.3324029832603, + "a1": 120.687957451452, + "L4": 1.51530428444688, + "L5": 1.23076131080809, + "L2": 1.45479356292711, + "L3": null, + "a7": 122.841557529506, + "L1": 1.33263187455346, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.048033851521, - "bs": 15.0, - "a2": 109.490356341139, - "a5": 120.936904216103, + "ss": "-", + "a3": 110.178595097394, + "bs": 0.0, + "a2": null, + "a5": 120.674428995645, "sidechain_LEU": null, - "chainIndex": 216, + "chainIndex": 2, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.651489149364 + "a4": null } }, { "pk": 735, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.206348905519, - "psi": 127.242716533202, - "oldID": "218", - "bg": 13.56, + "a6": 117.993727033808, + "psi": -5.61114575666358, + "oldID": "4", + "bg": 137.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9380838134984, + "protein": "1TWF", + "zeta": 33.5765955185317, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107628,120 +95524,120 @@ "sidechain_TRP": null, "next": 736, "sidechain_SER": null, - "bm": 14.0, + "bm": 134.0, "xpr": false, "prev": 734, "terminal_flag": false, - "phi": -123.752126044412, + "phi": -55.8699668147136, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.41758322761, - "chi2": null, - "chi3": null, - "chi1": -169.594799902774, + "sidechain_GLN": 31, + "ome": 179.226647259406, + "chi2": -175.400944038479, + "chi3": 61.2595390177897, + "chi1": -70.1745980564258, "chi4": null, "chi5": null, - "a1": 120.748960097137, - "L4": 1.51244557054598, - "L5": 1.22629844668314, - "L2": 1.45027493839132, - "L3": 1.54719025490922, - "a7": 122.704634395753, - "L1": 1.32439863089123, + "a1": 121.312019847919, + "L4": 1.52663706906104, + "L5": 1.23220571545749, + "L2": 1.45987160261942, + "L3": 1.52660961204788, + "a7": 122.111748847385, + "L1": 1.32789688813325, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.639835970887, - "bs": 13.0, - "a2": 111.33240729849, - "a5": 120.074699995791, + "ss": "-", + "a3": 116.645606897467, + "bs": 137.0, + "a2": 110.249682244254, + "a5": 119.894432193364, "sidechain_LEU": null, - "chainIndex": 217, - "sidechain_HIS": 31, + "chainIndex": 3, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.172349454681 + "a4": 109.141684091771 } }, { "pk": 736, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.539559154226, - "psi": 113.432800014058, - "oldID": "219", - "bg": 14.65, + "a6": 116.929111351188, + "psi": 159.767744936948, + "oldID": "5", + "bg": 126.5, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2792147203397, + "protein": "1TWF", + "zeta": 34.1009136828361, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 60, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 737, "sidechain_SER": null, - "bm": 15.0, + "bm": 124.0, "xpr": false, "prev": 735, "terminal_flag": false, - "phi": -123.098819493761, + "phi": -71.1084555450689, "chainID": "A", - "sidechain_GLN": null, - "ome": -168.026459253877, - "chi2": null, - "chi3": null, - "chi1": 177.49860681559, + "sidechain_GLN": 32, + "ome": -179.129644074159, + "chi2": 135.756270834697, + "chi3": 56.0668588188286, + "chi1": -175.945429060997, "chi4": null, "chi5": null, - "a1": 121.532762711447, - "L4": 1.51837770530935, - "L5": 1.23139735971826, - "L2": 1.45760932068248, - "L3": 1.54560902224904, - "a7": 123.848635564978, - "L1": 1.3394901427481, + "a1": 119.816486281297, + "L4": 1.52838785458157, + "L5": 1.23108465475988, + "L2": 1.46127005340502, + "L3": 1.52968407168594, + "a7": 122.532900499836, + "L1": 1.33024216583368, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.177455349778, - "bs": 15.0, - "a2": 111.775820363279, - "a5": 120.609966591552, + "ss": "S", + "a3": 109.452228554429, + "bs": 126.0, + "a2": 110.684296882185, + "a5": 120.535411138978, "sidechain_LEU": null, - "chainIndex": 218, + "chainIndex": 4, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.584393199937 + "a4": 110.448349712689 } }, { "pk": 737, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 43, - "a6": 117.273933474382, - "psi": 141.014328450949, - "oldID": "220", - "bg": 14.2, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 115.63332416692, + "psi": 152.042235754279, + "oldID": "6", + "bg": 113.26, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.7075741029892, + "protein": "1TWF", + "zeta": 34.2587960300568, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107750,59 +95646,59 @@ "sidechain_TRP": null, "next": 738, "sidechain_SER": null, - "bm": 14.0, + "bm": 111.0, "xpr": false, "prev": 736, "terminal_flag": false, - "phi": -163.845166443722, + "phi": -97.0389498912742, "chainID": "A", "sidechain_GLN": null, - "ome": 174.441588537085, - "chi2": -54.8620376923308, + "ome": 179.214439233339, + "chi2": 63.9851305059471, "chi3": null, - "chi1": -165.06141466649, + "chi1": -176.015872713717, "chi4": null, "chi5": null, - "a1": 122.359871454864, - "L4": 1.52623849972909, - "L5": 1.22726565987821, - "L2": 1.45807428799977, - "L3": 1.53937926057308, - "a7": 123.089875244676, - "L1": 1.32835800541991, + "a1": 120.792735291684, + "L4": 1.52679353082913, + "L5": 1.23036598667001, + "L2": 1.45924359763258, + "L3": 1.53521589421786, + "a7": 123.412283568524, + "L1": 1.32863064659299, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 23, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 105.936664887076, - "bs": 13.0, - "a2": 106.439718868584, - "a5": 119.629681701229, + "a3": 112.898092225434, + "bs": 113.0, + "a2": 110.419898680679, + "a5": 120.952081704017, "sidechain_LEU": null, - "chainIndex": 219, + "chainIndex": 5, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.125613873601 + "a4": 109.492836179445 } }, { "pk": 738, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 37, + "aa": "s", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 119.04173407965, - "psi": -17.3679124509678, - "oldID": "221", - "bg": 15.87, + "a6": 116.867499442118, + "psi": 121.927991142373, + "oldID": "7", + "bg": 98.51, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.4107829097499, + "protein": "1TWF", + "zeta": 34.9828836510557, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107810,60 +95706,60 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 739, - "sidechain_SER": null, - "bm": 15.0, + "sidechain_SER": 28, + "bm": 98.0, "xpr": false, "prev": 737, "terminal_flag": false, - "phi": -61.4830056375725, + "phi": -142.734249429222, "chainID": "A", "sidechain_GLN": null, - "ome": 179.410166871186, - "chi2": -13.2981021101511, - "chi3": 12.7227721460265, - "chi1": 8.12433463100961, - "chi4": -7.41557286518899, + "ome": -179.209708049389, + "chi2": null, + "chi3": null, + "chi1": 175.83411963384, + "chi4": null, "chi5": null, - "a1": 122.18555418381, - "L4": 1.53167148470503, - "L5": 1.21407766131508, - "L2": 1.46836782083563, - "L3": 1.54136083602982, - "a7": 122.625885006345, - "L1": 1.33111144019654, + "a1": 123.349368241278, + "L4": 1.52494951370904, + "L5": 1.22970677419067, + "L2": 1.46074757977658, + "L3": 1.52807208036277, + "a7": 122.600081502729, + "L1": 1.33244459985949, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -2.04185760068743, - "ss": "S", - "a3": 112.062813757575, - "bs": 15.0, - "a2": 103.929230455477, - "a5": 118.28022906906, + "omep": null, + "ss": "-", + "a3": 109.929780960908, + "bs": 98.0, + "a2": 110.556066330149, + "a5": 120.52764031874, "sidechain_LEU": null, - "chainIndex": 220, + "chainIndex": 6, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.467780037617 + "a4": 109.145019037146 } }, { "pk": 739, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.540646442663, - "psi": 150.739926451922, - "oldID": "222", - "bg": 16.19, + "a6": 116.575820819866, + "psi": -17.3065563825849, + "oldID": "8", + "bg": 91.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.2635349546809, + "protein": "1TWF", + "zeta": 34.1283639283602, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107871,60 +95767,60 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 740, - "sidechain_SER": null, - "bm": 14.0, + "sidechain_SER": 29, + "bm": 88.0, "xpr": false, "prev": 738, "terminal_flag": false, - "phi": -122.811036665242, - "chainID": "A", - "sidechain_GLN": null, - "ome": 170.739844026922, - "chi2": -179.279943806136, - "chi3": -60.6965144175315, - "chi1": -48.0514929259708, - "chi4": 120.621984213567, - "chi5": 1.95701032957779, - "a1": 121.034008902439, - "L4": 1.52300904298482, - "L5": 1.24167335421475, - "L2": 1.47841025665096, - "L3": 1.53855279203724, - "a7": 122.850161675586, - "L1": 1.32743884229725, - "sidechain_ARG": 36, + "phi": -69.6424869487439, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.869587834304, + "chi2": null, + "chi3": null, + "chi1": 70.513226764941, + "chi4": null, + "chi5": null, + "a1": 120.919842028082, + "L4": 1.52781536708436, + "L5": 1.23250567402191, + "L2": 1.46102666123097, + "L3": 1.53907589048827, + "a7": 122.997921124467, + "L1": 1.3297084864285, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.66546981257, - "bs": 16.0, - "a2": 112.018950178847, - "a5": 120.60751286728, + "ss": "-", + "a3": 112.997747052156, + "bs": 90.0, + "a2": 110.470269239069, + "a5": 120.426175717, "sidechain_LEU": null, - "chainIndex": 221, + "chainIndex": 7, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.569176841247 + "a4": 109.612608865343 } }, { "pk": 740, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.49388095479, - "psi": 124.603329229775, - "oldID": "223", - "bg": 15.48, + "a6": 117.167857987226, + "psi": 125.98390453752, + "oldID": "9", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1326925449721, + "protein": "1TWF", + "zeta": 34.5321403183117, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -107933,120 +95829,120 @@ "sidechain_TRP": null, "next": 741, "sidechain_SER": null, - "bm": 14.0, + "bm": 77.0, "xpr": false, "prev": 739, "terminal_flag": false, - "phi": -88.4339522703219, + "phi": -60.5826180377305, "chainID": "A", "sidechain_GLN": null, - "ome": -172.6320490382, - "chi2": -80.8902326935754, + "ome": -179.95366854311, + "chi2": null, "chi3": null, - "chi1": -173.941224483024, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.133724428102, - "L4": 1.54266021112813, - "L5": 1.21607860327819, - "L2": 1.46364602602121, - "L3": 1.52865355035736, - "a7": 122.003310585113, - "L1": 1.33283201998338, + "a1": 121.959651677962, + "L4": 1.52714786325256, + "L5": 1.23142968311524, + "L2": 1.46142914312459, + "L3": 1.52453620581972, + "a7": 121.927571648618, + "L1": 1.33108944669952, "sidechain_ARG": null, - "sidechain_TYR": 22, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.805018901834, - "bs": 16.0, - "a2": 109.165644651947, - "a5": 120.501802284785, + "ss": "S", + "a3": 111.471214467358, + "bs": 78.0, + "a2": 109.835683382573, + "a5": 120.904569819217, "sidechain_LEU": null, - "chainIndex": 222, + "chainIndex": 8, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.568289765638 + "a4": 110.016901729687 } }, { "pk": 741, "model": "pgd_core.residue", "fields": { - "aa": "t", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 44, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.030544121378, - "psi": -173.930425386305, - "oldID": "224", - "bg": 13.58, + "a6": 115.433534675651, + "psi": 125.765040971212, + "oldID": "10", + "bg": 70.94, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.9010168464849, + "protein": "1TWF", + "zeta": 36.6253939853388, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 33, + "sidechain_THR": null, "sidechain_TRP": null, "next": 742, "sidechain_SER": null, - "bm": 14.0, + "bm": 70.0, "xpr": false, "prev": 740, "terminal_flag": false, - "phi": -125.190358982941, + "phi": -56.8560140340619, "chainID": "A", "sidechain_GLN": null, - "ome": 175.360188893829, - "chi2": null, - "chi3": null, - "chi1": 69.5222188555977, - "chi4": null, + "ome": 179.614539760553, + "chi2": -41.9016131343862, + "chi3": 38.6227007497605, + "chi1": 28.5783039369652, + "chi4": -21.3340257135576, "chi5": null, - "a1": 121.596458192433, - "L4": 1.52859358814797, - "L5": 1.22612871235511, - "L2": 1.44432406172759, - "L3": 1.54817816462652, - "a7": 122.960446547395, - "L1": 1.33134285214297, + "a1": 121.132090241642, + "L4": 1.53449770088879, + "L5": 1.23365680941564, + "L2": 1.46670694028261, + "L3": 1.53221087515339, + "a7": 123.377523436015, + "L1": 1.34014382475191, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 4.94600227642571, "ss": "-", - "a3": 112.725164352036, - "bs": 12.0, - "a2": 109.140423119777, - "a5": 120.984957583614, + "a3": 114.779292941523, + "bs": 71.0, + "a2": 103.154266319871, + "a5": 121.187538151667, "sidechain_LEU": null, - "chainIndex": 223, + "chainIndex": 9, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.413743482098 + "a4": 112.819054578237 } }, { "pk": 742, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.999976073247, - "psi": -33.1295480401588, - "oldID": "225", - "bg": 15.64, + "a6": 116.732244810211, + "psi": 131.045278287584, + "oldID": "11", + "bg": 65.87, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.1003120809971, + "protein": "1TWF", + "zeta": 35.3093129241795, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -108055,223 +95951,223 @@ "sidechain_TRP": null, "next": 743, "sidechain_SER": null, - "bm": 14.0, + "bm": 64.0, "xpr": false, "prev": 741, "terminal_flag": false, - "phi": -58.3851006371816, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.230868480271, - "chi2": -177.85812099131, - "chi3": -143.557963817843, - "chi1": -56.1017875993256, - "chi4": -177.329557014556, - "chi5": 2.70997312808898, - "a1": 118.786889815817, - "L4": 1.53560489763898, - "L5": 1.22331326656702, - "L2": 1.46980049450496, - "L3": 1.54146501442443, - "a7": 121.413137316449, - "L1": 1.33329402327877, - "sidechain_ARG": 37, + "phi": -75.5578853086154, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.657851550425, + "chi2": 63.3844448795195, + "chi3": null, + "chi1": 167.604584047889, + "chi4": null, + "chi5": null, + "a1": 123.097320286513, + "L4": 1.52134270060644, + "L5": 1.22487598745701, + "L2": 1.45742754700374, + "L3": 1.52775324921311, + "a7": 122.756067480231, + "L1": 1.33174040836617, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.422843449842, - "bs": 15.0, - "a2": 110.723526950174, - "a5": 120.580399315131, - "sidechain_LEU": null, - "chainIndex": 224, + "ss": "B", + "a3": 110.400473657586, + "bs": 66.0, + "a2": 110.12607784262, + "a5": 120.51000283545, + "sidechain_LEU": 59, + "chainIndex": 10, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.958027883248 + "a4": 109.013460422039 } }, { "pk": 743, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.971614329829, - "psi": -48.8053222484514, - "oldID": "226", - "bg": 14.72, + "a6": 115.752205317595, + "psi": 172.389038650832, + "oldID": "12", + "bg": 69.21, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.0185868299337, + "protein": "1TWF", + "zeta": 34.672452319634, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 34, + "sidechain_THR": null, "sidechain_TRP": null, "next": 744, "sidechain_SER": null, - "bm": 14.0, + "bm": 60.0, "xpr": false, "prev": 742, "terminal_flag": false, - "phi": -63.0869210635182, + "phi": -147.349723986682, "chainID": "A", "sidechain_GLN": null, - "ome": -177.814242462838, - "chi2": null, - "chi3": null, - "chi1": -67.366665081639, - "chi4": null, - "chi5": null, - "a1": 121.455897918674, - "L4": 1.53112061127359, - "L5": 1.23702572212286, - "L2": 1.46070316086385, - "L3": 1.52910159679798, - "a7": 123.933524286961, - "L1": 1.33608268936302, - "sidechain_ARG": null, + "ome": 179.239043309897, + "chi2": -169.512459016711, + "chi3": 174.314323136852, + "chi1": -73.6747267259282, + "chi4": 179.402314138598, + "chi5": -0.0711427102427118, + "a1": 120.982019031037, + "L4": 1.52175605022112, + "L5": 1.23185698249008, + "L2": 1.45389939119171, + "L3": 1.53151079503473, + "a7": 122.935645005507, + "L1": 1.32726128037512, + "sidechain_ARG": 35, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.434592861352, - "bs": 14.0, - "a2": 109.716889126983, - "a5": 120.078786338701, + "ss": "-", + "a3": 112.680616394606, + "bs": 77.0, + "a2": 110.302529105017, + "a5": 121.30973934459, "sidechain_LEU": null, - "chainIndex": 225, + "chainIndex": 11, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.056320583202 + "a4": 109.13265474516 } }, { "pk": 744, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.534231380947, - "psi": -35.2543044132396, - "oldID": "227", - "bg": 16.14, + "a6": 116.550898843002, + "psi": 146.779375363454, + "oldID": "13", + "bg": 52.41, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8365231632076, + "protein": "1TWF", + "zeta": 34.3583433090191, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 34, "sidechain_TRP": null, "next": 745, - "sidechain_SER": 33, - "bm": 13.0, + "sidechain_SER": null, + "bm": 51.0, "xpr": false, "prev": 743, "terminal_flag": false, - "phi": -49.8667144152372, + "phi": -109.298476257429, "chainID": "A", "sidechain_GLN": null, - "ome": -177.007328885753, + "ome": 179.904967446882, "chi2": null, "chi3": null, - "chi1": -49.4192269720669, + "chi1": 54.375634644424, "chi4": null, "chi5": null, - "a1": 121.849151246416, - "L4": 1.54052466382969, - "L5": 1.24195659307806, - "L2": 1.47304471920007, - "L3": 1.52757651596454, - "a7": 123.512642119246, - "L1": 1.33646533356708, + "a1": 121.601512139044, + "L4": 1.52158096358033, + "L5": 1.22744894729467, + "L2": 1.45411017295389, + "L3": 1.53881505260448, + "a7": 122.826428070183, + "L1": 1.3267057538478, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.939476994206, - "bs": 15.0, - "a2": 109.455237916323, - "a5": 119.950670856124, + "ss": "-", + "a3": 109.347863861063, + "bs": 51.0, + "a2": 110.976698739831, + "a5": 120.599543351496, "sidechain_LEU": null, - "chainIndex": 226, + "chainIndex": 12, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.45080595014 + "a4": 110.004989359138 } }, { "pk": 745, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.937460282799, - "psi": -23.2749835691264, - "oldID": "228", - "bg": 14.6, + "a6": 116.11485687442, + "psi": 120.296772093021, + "oldID": "14", + "bg": 43.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7307032434149, + "protein": "1TWF", + "zeta": 34.3449603927488, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 59, "sidechain_MET": null, - "sidechain_THR": 35, + "sidechain_THR": null, "sidechain_TRP": null, "next": 746, "sidechain_SER": null, - "bm": 15.0, + "bm": 46.0, "xpr": false, "prev": 744, "terminal_flag": false, - "phi": -56.131529167715, + "phi": -71.1578085336374, "chainID": "A", "sidechain_GLN": null, - "ome": -175.057962795758, + "ome": 179.778788636973, "chi2": null, "chi3": null, - "chi1": 64.6556715491184, + "chi1": 170.732709925916, "chi4": null, "chi5": null, - "a1": 121.955535098977, - "L4": 1.51715186507307, - "L5": 1.23028908300115, - "L2": 1.47933915050015, - "L3": 1.53200171257341, - "a7": 122.423928468305, - "L1": 1.32942993808581, + "a1": 120.95011808117, + "L4": 1.51756867353511, + "L5": 1.22548769248027, + "L2": 1.45311517728257, + "L3": 1.5398639628387, + "a7": 123.31357850344, + "L1": 1.32704810872334, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.549327313527, - "bs": 15.0, - "a2": 111.90033798815, - "a5": 120.638121862849, + "ss": "-", + "a3": 109.133536488988, + "bs": 43.0, + "a2": 111.291933704718, + "a5": 120.569300038445, "sidechain_LEU": null, - "chainIndex": 227, + "chainIndex": 13, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.02586805951 + "a4": 109.811802193541 } }, { @@ -108281,77 +96177,77 @@ "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.985996843554, - "psi": 0.362158924364244, - "oldID": "229", - "bg": 17.43, + "a6": 116.805658048935, + "psi": -42.8525107916659, + "oldID": "15", + "bg": 57.06, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.7439039587561, + "protein": "1TWF", + "zeta": 34.9610986261846, "sidechain_PHE": null, - "sidechain_LYS": 40, + "sidechain_LYS": 38, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 747, "sidechain_SER": null, - "bm": 16.0, + "bm": 50.0, "xpr": false, "prev": 745, "terminal_flag": false, - "phi": -102.237212000694, + "phi": -95.8656566004776, "chainID": "A", "sidechain_GLN": null, - "ome": -169.796271275034, - "chi2": -62.5003019906009, - "chi3": 163.416518037526, - "chi1": -61.744241331696, - "chi4": -76.8914074780867, + "ome": -179.379191203996, + "chi2": -67.1902816815269, + "chi3": -174.239440140209, + "chi1": -61.4240030171786, + "chi4": -177.836275494719, "chi5": null, - "a1": 121.083316306174, - "L4": 1.52525164375387, - "L5": 1.23516794537319, - "L2": 1.46157634775458, - "L3": 1.53365584380205, - "a7": 121.682034511302, - "L1": 1.32292316376397, + "a1": 122.209231618963, + "L4": 1.52937242607938, + "L5": 1.22549009177501, + "L2": 1.45896935078697, + "L3": 1.53644833221071, + "a7": 122.746068951253, + "L1": 1.3311264369204, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.176641666063, - "bs": 18.0, - "a2": 107.923609765133, - "a5": 121.29932652394, + "ss": "-", + "a3": 111.170897589418, + "bs": 57.0, + "a2": 110.531279765027, + "a5": 120.444883559812, "sidechain_LEU": null, - "chainIndex": 228, + "chainIndex": 14, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.481526765912 + "a4": 108.935198963117 } }, { "pk": 747, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.384308413752, - "psi": 145.429687992705, - "oldID": "230", - "bg": 16.65, - "sidechain_CYS": 12, + "a6": 116.48651788751, + "psi": 156.518801338028, + "oldID": "16", + "bg": 54.29, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.775747028637, + "protein": "1TWF", + "zeta": 35.6102874013782, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -108360,223 +96256,223 @@ "sidechain_TRP": null, "next": 748, "sidechain_SER": null, - "bm": 15.0, + "bm": 48.0, "xpr": false, "prev": 746, "terminal_flag": false, - "phi": -96.4217568558516, + "phi": -129.559753755265, "chainID": "A", "sidechain_GLN": null, - "ome": 174.467370629063, - "chi2": null, - "chi3": null, - "chi1": -66.8029753988332, + "ome": 177.551886570977, + "chi2": -158.512533940986, + "chi3": -44.0534056684704, + "chi1": -72.3827472884816, "chi4": null, "chi5": null, - "a1": 118.661226419366, - "L4": 1.49974479543283, - "L5": 1.23405650938804, - "L2": 1.45866941841843, - "L3": 1.52329748034596, - "a7": 125.354205138814, - "L1": 1.32115268070325, + "a1": 122.212932676789, + "L4": 1.52817657560984, + "L5": 1.23249463209346, + "L2": 1.46831749749411, + "L3": 1.53062250236829, + "a7": 122.612363940972, + "L1": 1.32975689669669, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 64, "omep": null, - "ss": "-", - "a3": 112.645449660898, - "bs": 15.0, - "a2": 110.110835348107, - "a5": 120.261459819449, + "ss": "E", + "a3": 112.530653933974, + "bs": 53.0, + "a2": 111.210218716902, + "a5": 120.900989803108, "sidechain_LEU": null, - "chainIndex": 229, + "chainIndex": 15, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.196554298075 + "a4": 106.798824069822 } }, { "pk": 748, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 44, - "a6": 116.945393015504, - "psi": -33.9770868142557, - "oldID": "231", - "bg": 18.64, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.774866987794, + "psi": 115.246013923662, + "oldID": "17", + "bg": 40.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3066223574236, + "protein": "1TWF", + "zeta": 33.4655045575649, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 60, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 749, "sidechain_SER": null, - "bm": 15.0, + "bm": 39.0, "xpr": false, "prev": 747, "terminal_flag": false, - "phi": -68.0342242591586, + "phi": -130.447598824016, "chainID": "A", "sidechain_GLN": null, - "ome": -179.285845492261, - "chi2": -84.884436445973, + "ome": -179.897191408394, + "chi2": null, "chi3": null, - "chi1": -59.6721128603086, + "chi1": 164.695825868137, "chi4": null, "chi5": null, - "a1": 123.784400997196, - "L4": 1.53252265466137, - "L5": 1.2325899886661, - "L2": 1.45022715198222, - "L3": 1.52576313420163, - "a7": 123.297159001659, - "L1": 1.33015318197075, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.832645030409, - "bs": 19.0, - "a2": 109.862955211844, - "a5": 119.735756749886, + "a1": 120.567513175175, + "L4": 1.52084417805275, + "L5": 1.22991202184875, + "L2": 1.45340118362567, + "L3": 1.55084529382146, + "a7": 122.667733482897, + "L1": 1.32788114715176, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 106.9879927529, + "bs": 38.0, + "a2": 112.397231811668, + "a5": 120.514534393615, "sidechain_LEU": null, - "chainIndex": 230, + "chainIndex": 16, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.562830734019 + "a4": 110.776121404388 } }, { "pk": 749, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.460635789282, - "psi": 125.146888356439, - "oldID": "232", - "bg": 14.74, + "a6": 116.036441761457, + "psi": 114.535979178727, + "oldID": "18", + "bg": 36.78, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9653777025427, + "protein": "1TWF", + "zeta": 34.1615437160274, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 752, + "next": 750, "sidechain_SER": null, - "bm": 14.0, + "bm": 38.0, "xpr": false, "prev": 748, "terminal_flag": false, - "phi": -133.837310008008, + "phi": -101.379519015537, "chainID": "A", - "sidechain_GLN": null, - "ome": 174.024291785343, - "chi2": 172.380597175105, - "chi3": null, - "chi1": -69.8946473007056, + "sidechain_GLN": 33, + "ome": 179.345321191845, + "chi2": 66.8792653567839, + "chi3": 62.1022441678141, + "chi1": 173.277877484999, "chi4": null, "chi5": null, - "a1": 122.446556803221, - "L4": 1.50862464580825, - "L5": 1.22425695659174, - "L2": 1.45250516735617, - "L3": 1.53500616262983, - "a7": 123.18087267623, - "L1": 1.3426880661299, + "a1": 120.802279764208, + "L4": 1.51178140319926, + "L5": 1.22559673140838, + "L2": 1.46472535007523, + "L3": 1.53372462864816, + "a7": 122.913047983559, + "L1": 1.33112815085402, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.665602555661, - "bs": 15.0, - "a2": 110.33407646602, - "a5": 119.331251522264, - "sidechain_LEU": 62, - "chainIndex": 231, + "a3": 111.093514579411, + "bs": 36.0, + "a2": 111.17811186451, + "a5": 121.046761172294, + "sidechain_LEU": null, + "chainIndex": 17, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.483526542057 + "a4": 109.475312425736 } }, { "pk": 750, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.342337235972, - "psi": 101.649969958817, - "oldID": "2", - "bg": 143.3, + "a6": 115.453618934393, + "psi": 161.613649967409, + "oldID": "19", + "bg": 44.89, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3622830342147, - "sidechain_PHE": null, + "zeta": 34.0316411944957, + "sidechain_PHE": 32, "sidechain_LYS": null, - "sidechain_VAL": 61, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 751, "sidechain_SER": null, - "bm": 143.0, + "bm": 42.0, "xpr": false, - "prev": null, + "prev": 749, "terminal_flag": false, - "phi": null, + "phi": -87.8455203270665, "chainID": "A", "sidechain_GLN": null, - "ome": -179.414060954652, - "chi2": null, + "ome": -179.61162996991, + "chi2": -88.8505066018161, "chi3": null, - "chi1": 48.5562782934041, + "chi1": -70.1098186162683, "chi4": null, "chi5": null, - "a1": null, - "L4": 1.52906597041749, - "L5": 1.2322763214382, - "L2": 1.4905042069386, - "L3": 1.55003376184421, - "a7": 122.97567745139, - "L1": null, + "a1": 119.738849658064, + "L4": 1.5206943091738, + "L5": 1.23355167568139, + "L2": 1.44705165960317, + "L3": 1.52983615114984, + "a7": 123.30778185636, + "L1": 1.32446488289639, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.629060392934, - "bs": 143.0, - "a2": 110.730017466855, - "a5": 120.681984690757, + "a3": 110.190256380864, + "bs": 43.0, + "a2": 110.753258619372, + "a5": 121.227898845659, "sidechain_LEU": null, - "chainIndex": 1, + "chainIndex": 18, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.717833971254 + "a4": 110.392769783182 } }, { @@ -108588,9 +96484,9 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.483256207875, - "psi": 84.7144371749745, - "oldID": "3", + "a6": 115.801220516401, + "psi": -170.880106536332, + "oldID": "20", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, @@ -108602,39 +96498,39 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 753, + "next": 752, "sidechain_SER": null, - "bm": 140.0, + "bm": 47.0, "xpr": false, "prev": 750, "terminal_flag": false, - "phi": 71.830131748173, + "phi": 176.732967202208, "chainID": "A", "sidechain_GLN": null, - "ome": -178.575905467355, + "ome": -179.72199527575, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.687957451452, - "L4": 1.51530428444688, - "L5": 1.23076131080809, - "L2": 1.45479356292711, + "a1": 120.470516947079, + "L4": 1.5104833596777, + "L5": 1.23241650625461, + "L2": 1.4489338905953, "L3": null, - "a7": 122.841557529506, - "L1": 1.33263187455346, + "a7": 123.23455877031, + "L1": 1.32454658988204, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.178595097394, + "a3": 112.581248212347, "bs": 0.0, "a2": null, - "a5": 120.674428995645, + "a5": 120.962484761257, "sidechain_LEU": null, - "chainIndex": 2, + "chainIndex": 19, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null @@ -108644,610 +96540,610 @@ "pk": 752, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.0640646207, - "psi": 128.464940461741, - "oldID": "233", - "bg": 15.3, + "a6": 115.465510430401, + "psi": 146.696313423292, + "oldID": "21", + "bg": 55.11, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9712446585705, + "protein": "1TWF", + "zeta": 34.7382785537424, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 754, + "next": 753, "sidechain_SER": null, - "bm": 15.0, + "bm": 53.0, "xpr": false, - "prev": 749, + "prev": 751, "terminal_flag": false, - "phi": -119.005651560426, + "phi": -110.16956536148, "chainID": "A", "sidechain_GLN": null, - "ome": -178.426005418849, - "chi2": 68.8922888235711, + "ome": 179.616196281079, + "chi2": 169.120615699586, "chi3": null, - "chi1": 161.431840953118, + "chi1": -52.7014524336027, "chi4": null, "chi5": null, - "a1": 120.969549580316, - "L4": 1.51981869795602, - "L5": 1.23001330802371, - "L2": 1.45967165228815, - "L3": 1.53776621438784, - "a7": 122.680802311323, - "L1": 1.32282127146547, + "a1": 121.476079575989, + "L4": 1.51960898305066, + "L5": 1.23166047047739, + "L2": 1.45138624025291, + "L3": 1.52624374623238, + "a7": 123.497306944275, + "L1": 1.32630827324813, "sidechain_ARG": null, - "sidechain_TYR": 23, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.171026166537, - "bs": 14.0, - "a2": 113.847853361725, - "a5": 120.251794400452, - "sidechain_LEU": null, - "chainIndex": 232, + "ss": "B", + "a3": 111.271956430653, + "bs": 55.0, + "a2": 109.177620384222, + "a5": 121.035878039479, + "sidechain_LEU": 60, + "chainIndex": 20, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.526383043391 + "a4": 110.575236732728 } }, { "pk": 753, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.993727033808, - "psi": -5.61114575666358, - "oldID": "4", - "bg": 137.32, + "a6": 117.714248986292, + "psi": 110.690771699603, + "oldID": "22", + "bg": 64.09, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.5765955185317, - "sidechain_PHE": null, + "zeta": 36.3250039374217, + "sidechain_PHE": 33, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 755, + "next": 754, "sidechain_SER": null, - "bm": 134.0, + "bm": 60.0, "xpr": false, - "prev": 751, + "prev": 752, "terminal_flag": false, - "phi": -55.8699668147136, + "phi": -81.7308016284185, "chainID": "A", - "sidechain_GLN": 31, - "ome": 179.226647259406, - "chi2": -175.400944038479, - "chi3": 61.2595390177897, - "chi1": -70.1745980564258, + "sidechain_GLN": null, + "ome": 179.199681717833, + "chi2": -39.8599493291758, + "chi3": null, + "chi1": -117.553877968023, "chi4": null, "chi5": null, - "a1": 121.312019847919, - "L4": 1.52663706906104, - "L5": 1.23220571545749, - "L2": 1.45987160261942, - "L3": 1.52660961204788, - "a7": 122.111748847385, - "L1": 1.32789688813325, + "a1": 122.698114703148, + "L4": 1.52829595298252, + "L5": 1.23294201919043, + "L2": 1.45843165934151, + "L3": 1.52623980057669, + "a7": 122.089418286248, + "L1": 1.32681543964371, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 116.645606897467, - "bs": 137.0, - "a2": 110.249682244254, - "a5": 119.894432193364, + "a3": 109.671325260484, + "bs": 65.0, + "a2": 109.097684308764, + "a5": 120.195797410063, "sidechain_LEU": null, - "chainIndex": 3, + "chainIndex": 21, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.141684091771 + "a4": 108.666619560955 } }, { "pk": 754, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.590441538946, - "psi": 117.850588807181, - "oldID": "234", - "bg": 0.0, + "a6": 117.218955255848, + "psi": 151.575290308547, + "oldID": "23", + "bg": 65.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6283686982653, + "protein": "1TWF", + "zeta": 35.6104727656803, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 756, - "sidechain_SER": null, - "bm": 15.0, + "next": 755, + "sidechain_SER": 30, + "bm": 66.0, "xpr": false, - "prev": 752, + "prev": 753, "terminal_flag": false, - "phi": -127.235805286902, + "phi": -75.3199159153421, "chainID": "A", "sidechain_GLN": null, - "ome": 175.253041847768, + "ome": 179.784401095259, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 83.3079850988078, "chi4": null, "chi5": null, - "a1": 119.964831036017, - "L4": 1.5051058716107, - "L5": 1.22523141881448, - "L2": 1.4397884317324, - "L3": 1.48329009109447, - "a7": 123.363356352091, - "L1": 1.32423223549879, + "a1": 119.647966389791, + "L4": 1.5239886728037, + "L5": 1.23595003885286, + "L2": 1.46557106660864, + "L3": 1.51886585355899, + "a7": 122.096931174574, + "L1": 1.32832141169605, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.357163586107, - "bs": 15.0, - "a2": 110.409769050583, - "a5": 120.040774538509, + "ss": "-", + "a3": 108.839604033322, + "bs": 65.0, + "a2": 111.608054788145, + "a5": 120.673138741446, "sidechain_LEU": null, - "chainIndex": 233, + "chainIndex": 22, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.38828788356 + "a4": 107.25467487795 } }, { "pk": 755, "model": "pgd_core.residue", "fields": { - "aa": "q", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 45, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.929111351188, - "psi": 159.767744936948, - "oldID": "5", - "bg": 126.5, + "a6": 116.452734907987, + "psi": -41.1367063679284, + "oldID": "24", + "bg": 66.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1009136828361, + "zeta": 37.2270451621424, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 757, + "next": 756, "sidechain_SER": null, - "bm": 124.0, + "bm": 66.0, "xpr": false, - "prev": 753, + "prev": 754, "terminal_flag": false, - "phi": -71.1084555450689, + "phi": -57.9164924540415, "chainID": "A", - "sidechain_GLN": 32, - "ome": -179.129644074159, - "chi2": 135.756270834697, - "chi3": 56.0668588188286, - "chi1": -175.945429060997, - "chi4": null, + "sidechain_GLN": null, + "ome": 179.521978560617, + "chi2": -43.1466843373227, + "chi3": 40.1293235379243, + "chi1": 28.4431277376176, + "chi4": -22.9909353220499, "chi5": null, - "a1": 119.816486281297, - "L4": 1.52838785458157, - "L5": 1.23108465475988, - "L2": 1.46127005340502, - "L3": 1.52968407168594, - "a7": 122.532900499836, - "L1": 1.33024216583368, + "a1": 121.096194047311, + "L4": 1.53639273954315, + "L5": 1.23217182796807, + "L2": 1.46581928174954, + "L3": 1.52497261571239, + "a7": 122.860458824378, + "L1": 1.34267140052413, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.452228554429, - "bs": 126.0, - "a2": 110.684296882185, - "a5": 120.535411138978, + "omep": 4.68603916848907, + "ss": "H", + "a3": 112.058454477564, + "bs": 66.0, + "a2": 102.869793692489, + "a5": 120.685104438101, "sidechain_LEU": null, - "chainIndex": 4, + "chainIndex": 23, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.448349712689 + "a4": 112.826394653653 } }, { "pk": 756, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 38, + "aa": "e", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.066747235809, - "psi": 142.722034777516, - "oldID": "235", - "bg": 14.84, + "a6": 116.274379330521, + "psi": -39.9747609061776, + "oldID": "25", + "bg": 77.82, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.8198809629864, + "protein": "1TWF", + "zeta": 35.11259627419, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 758, + "next": 757, "sidechain_SER": null, - "bm": 16.0, + "bm": 70.0, "xpr": false, - "prev": 754, + "prev": 755, "terminal_flag": false, - "phi": -78.0210116435766, + "phi": -60.918648864881, "chainID": "A", "sidechain_GLN": null, - "ome": 171.013039338745, - "chi2": -18.2047285658289, - "chi3": 9.37152069919419, - "chi1": 19.3838181240677, - "chi4": 3.22234239011939, + "ome": -179.497188325756, + "chi2": 73.1116949309162, + "chi3": 51.4783399895273, + "chi1": -62.1249514139813, + "chi4": null, "chi5": null, - "a1": 120.268050098894, - "L4": 1.52437629420531, - "L5": 1.24198796750232, - "L2": 1.45863636971139, - "L3": 1.51938003876188, - "a7": 122.643699090402, - "L1": 1.32133075811558, + "a1": 121.732631642659, + "L4": 1.52779695738688, + "L5": 1.22978665458676, + "L2": 1.4566760118664, + "L3": 1.53357820301846, + "a7": 122.578337578675, + "L1": 1.33201477493969, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -3.55790766152259, - "ss": "-", - "a3": 107.762969406099, - "bs": 14.0, - "a2": 103.815595188631, - "a5": 120.276498732165, + "sidechain_GLU": 65, + "omep": null, + "ss": "H", + "a3": 109.852794298808, + "bs": 77.0, + "a2": 110.552212827067, + "a5": 121.147177526683, "sidechain_LEU": null, - "chainIndex": 234, + "chainIndex": 24, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.788232482475 + "a4": 109.058599203725 } }, { "pk": 757, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.63332416692, - "psi": 152.042235754279, - "oldID": "6", - "bg": 113.26, + "a6": 117.659677240889, + "psi": -44.7184633228031, + "oldID": "26", + "bg": 68.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2587960300568, + "zeta": 33.9948230851145, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 759, + "next": 758, "sidechain_SER": null, - "bm": 111.0, + "bm": 67.0, "xpr": false, - "prev": 755, + "prev": 756, "terminal_flag": false, - "phi": -97.0389498912742, + "phi": -70.4623444316794, "chainID": "A", "sidechain_GLN": null, - "ome": 179.214439233339, - "chi2": 63.9851305059471, - "chi3": null, - "chi1": -176.015872713717, + "ome": -179.905729549328, + "chi2": 167.24402932594, + "chi3": 47.5472191720442, + "chi1": 173.303581656994, "chi4": null, "chi5": null, - "a1": 120.792735291684, - "L4": 1.52679353082913, - "L5": 1.23036598667001, - "L2": 1.45924359763258, - "L3": 1.53521589421786, - "a7": 123.412283568524, - "L1": 1.32863064659299, + "a1": 120.791035005744, + "L4": 1.51846589085353, + "L5": 1.22502731636681, + "L2": 1.45100415336138, + "L3": 1.52801757885373, + "a7": 122.183964591793, + "L1": 1.32730376705756, "sidechain_ARG": null, - "sidechain_TYR": 24, - "sidechain_GLU": null, + "sidechain_TYR": null, + "sidechain_GLU": 66, "omep": null, - "ss": "-", - "a3": 112.898092225434, - "bs": 113.0, - "a2": 110.419898680679, - "a5": 120.952081704017, + "ss": "H", + "a3": 112.992709218506, + "bs": 68.0, + "a2": 110.460457899526, + "a5": 120.155957746862, "sidechain_LEU": null, - "chainIndex": 5, + "chainIndex": 25, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.492836179445 + "a4": 109.7940223141 } }, { "pk": 758, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.842846752056, - "psi": 151.047293886741, - "oldID": "236", - "bg": 21.53, + "a6": 115.576982794482, + "psi": -22.9628887285328, + "oldID": "27", + "bg": 67.42, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8551406225959, + "protein": "1TWF", + "zeta": 34.5410325922872, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 61, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 760, + "next": 759, "sidechain_SER": null, - "bm": 19.0, + "bm": 68.0, "xpr": false, - "prev": 756, + "prev": 757, "terminal_flag": false, - "phi": -147.418890315017, + "phi": -57.1499887050312, "chainID": "A", "sidechain_GLN": null, - "ome": -176.106002673553, - "chi2": 175.582652565525, + "ome": 179.072899401369, + "chi2": null, "chi3": null, - "chi1": 91.0388114585066, + "chi1": -176.766604562954, "chi4": null, "chi5": null, - "a1": 119.629076628078, - "L4": 1.5116842477291, - "L5": 1.23379916574227, - "L2": 1.45181565187138, - "L3": 1.53523733714256, - "a7": 124.260420268573, - "L1": 1.32269689027354, + "a1": 119.812365814441, + "L4": 1.52567548163071, + "L5": 1.23823298913562, + "L2": 1.45547863795886, + "L3": 1.52586869217315, + "a7": 123.596524791218, + "L1": 1.32479989553718, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.716338852546, - "bs": 22.0, - "a2": 112.616584659776, - "a5": 119.848737687957, - "sidechain_LEU": 63, - "chainIndex": 235, + "ss": "H", + "a3": 110.807640615773, + "bs": 68.0, + "a2": 111.291867804157, + "a5": 120.826347380336, + "sidechain_LEU": null, + "chainIndex": 26, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.227803652981 + "a4": 108.787118734238 } }, { "pk": 759, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.867499442118, - "psi": 121.927991142373, - "oldID": "7", - "bg": 98.51, + "a6": 116.399561493381, + "psi": -44.5061390363799, + "oldID": "28", + "bg": 77.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9828836510557, + "zeta": 34.9113527915712, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 761, - "sidechain_SER": 34, - "bm": 98.0, + "next": 760, + "sidechain_SER": null, + "bm": 72.0, "xpr": false, - "prev": 757, + "prev": 758, "terminal_flag": false, - "phi": -142.734249429222, + "phi": -87.2349256686408, "chainID": "A", "sidechain_GLN": null, - "ome": -179.209708049389, - "chi2": null, - "chi3": null, - "chi1": 175.83411963384, - "chi4": null, - "chi5": null, - "a1": 123.349368241278, - "L4": 1.52494951370904, - "L5": 1.22970677419067, - "L2": 1.46074757977658, - "L3": 1.52807208036277, - "a7": 122.600081502729, - "L1": 1.33244459985949, - "sidechain_ARG": null, + "ome": -179.244178966869, + "chi2": -143.303380002748, + "chi3": -148.409021316588, + "chi1": -59.4895890714025, + "chi4": 72.3788427686095, + "chi5": 0.497912688920818, + "a1": 122.38167612525, + "L4": 1.52296971600372, + "L5": 1.22939972885163, + "L2": 1.4548036236887, + "L3": 1.53361192999442, + "a7": 122.911564364589, + "L1": 1.33110414507256, + "sidechain_ARG": 36, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.929780960908, - "bs": 98.0, - "a2": 110.556066330149, - "a5": 120.52764031874, + "ss": "H", + "a3": 109.4906092441, + "bs": 77.0, + "a2": 110.791120191198, + "a5": 120.680159864982, "sidechain_LEU": null, - "chainIndex": 6, + "chainIndex": 27, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.145019037146 + "a4": 109.257092580269 } }, { "pk": 760, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.608214908065, - "psi": 141.762967423951, - "oldID": "237", - "bg": 24.57, + "a6": 117.186707152075, + "psi": -10.5620224981114, + "oldID": "29", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9447303574484, + "protein": "1TWF", + "zeta": 34.1516084402964, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 762, + "next": 761, "sidechain_SER": null, - "bm": 20.0, + "bm": 78.0, "xpr": false, - "prev": 758, + "prev": 759, "terminal_flag": false, - "phi": -62.9023156504473, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.86625123719, - "chi2": 172.876732035394, - "chi3": 52.2026613511779, - "chi1": 176.673490076833, - "chi4": 111.258195344028, - "chi5": -0.850152256727835, - "a1": 122.678783756385, - "L4": 1.51853117705166, - "L5": 1.23710328905511, - "L2": 1.46022595305293, - "L3": 1.53410463868501, - "a7": 122.990028021327, - "L1": 1.33506822092462, - "sidechain_ARG": 38, + "phi": -64.0897336375317, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.09953636928, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 121.605382447107, + "L4": 1.52779425756809, + "L5": 1.23381595308754, + "L2": 1.4579976169923, + "L3": 1.52729452074821, + "a7": 122.570627899207, + "L1": 1.32816803161165, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.888257910854, - "bs": 26.0, - "a2": 110.423295506341, - "a5": 120.37080132462, + "ss": "H", + "a3": 114.600138691054, + "bs": 78.0, + "a2": 109.765094055182, + "a5": 120.242061660802, "sidechain_LEU": null, - "chainIndex": 236, + "chainIndex": 28, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.605741809665 + "a4": 109.644193137879 } }, { "pk": 761, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.575820819866, - "psi": -17.3065563825849, - "oldID": "8", - "bg": 91.32, + "a6": 117.005727404664, + "psi": 2.97179924836216, + "oldID": "30", + "bg": 81.39, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 38, "protein": "1TWF", - "zeta": 34.1283639283602, + "zeta": 34.581753764218, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 763, - "sidechain_SER": 35, - "bm": 88.0, + "next": 762, + "sidechain_SER": null, + "bm": 82.0, "xpr": false, - "prev": 759, + "prev": 760, "terminal_flag": false, - "phi": -69.6424869487439, + "phi": -122.85724472178, "chainID": "A", "sidechain_GLN": null, - "ome": -179.869587834304, - "chi2": null, + "ome": -179.610974486789, + "chi2": 109.233664188093, "chi3": null, - "chi1": 70.513226764941, + "chi1": 60.6802999706382, "chi4": null, "chi5": null, - "a1": 120.919842028082, - "L4": 1.52781536708436, - "L5": 1.23250567402191, - "L2": 1.46102666123097, - "L3": 1.53907589048827, - "a7": 122.997921124467, - "L1": 1.3297084864285, + "a1": 120.611762770785, + "L4": 1.52278186657192, + "L5": 1.22758750504878, + "L2": 1.46053908961217, + "L3": 1.5493117179997, + "a7": 122.491042564914, + "L1": 1.33028508253919, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.997747052156, - "bs": 90.0, - "a2": 110.470269239069, - "a5": 120.426175717, + "ss": "T", + "a3": 113.467741206118, + "bs": 81.0, + "a2": 111.128088139456, + "a5": 120.501283719085, "sidechain_LEU": null, - "chainIndex": 7, + "chainIndex": 29, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.612608865343 + "a4": 108.313204678663 } }, { @@ -109257,546 +97153,546 @@ "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.915267854893, - "psi": 131.636508019841, - "oldID": "238", - "bg": 30.23, + "a6": 116.190613384871, + "psi": -175.527071976816, + "oldID": "31", + "bg": 89.62, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.2381057145226, + "protein": "1TWF", + "zeta": 34.7005634348957, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 764, - "sidechain_SER": 36, - "bm": 20.0, + "next": 763, + "sidechain_SER": 31, + "bm": 88.0, "xpr": false, - "prev": 760, + "prev": 761, "terminal_flag": false, - "phi": -51.4430604659394, + "phi": -79.160992773302, "chainID": "A", "sidechain_GLN": null, - "ome": 175.741915253746, + "ome": 179.373202113001, "chi2": null, "chi3": null, - "chi1": -40.1551246429617, + "chi1": 63.1816989674744, "chi4": null, "chi5": null, - "a1": 121.111509361992, - "L4": 1.51701147234947, - "L5": 1.22278713615037, - "L2": 1.4682399974933, - "L3": 1.52954044256472, - "a7": 123.97426926128, - "L1": 1.33699764938314, + "a1": 120.731363098675, + "L4": 1.52018131515954, + "L5": 1.23066938017375, + "L2": 1.4579439306409, + "L3": 1.52957355127229, + "a7": 122.737466492802, + "L1": 1.32627193180553, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.200675763357, - "bs": 27.0, - "a2": 111.877628282566, - "a5": 120.09570371398, + "ss": "-", + "a3": 110.968865959711, + "bs": 89.0, + "a2": 110.398090017993, + "a5": 121.071680173443, "sidechain_LEU": null, - "chainIndex": 237, + "chainIndex": 30, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.610813737273 + "a4": 109.481895726197 } }, { "pk": 763, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.167857987226, - "psi": 125.98390453752, - "oldID": "9", - "bg": 0.0, + "a6": 115.691302624103, + "psi": -48.6280006659559, + "oldID": "32", + "bg": 92.43, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5321403183117, + "zeta": 34.5068256861955, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 62, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 765, + "next": 764, "sidechain_SER": null, - "bm": 77.0, + "bm": 94.0, "xpr": false, - "prev": 761, + "prev": 762, "terminal_flag": false, - "phi": -60.5826180377305, + "phi": -135.50233672715, "chainID": "A", "sidechain_GLN": null, - "ome": -179.95366854311, + "ome": 179.862105915694, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -68.5925690468093, "chi4": null, "chi5": null, - "a1": 121.959651677962, - "L4": 1.52714786325256, - "L5": 1.23142968311524, - "L2": 1.46142914312459, - "L3": 1.52453620581972, - "a7": 121.927571648618, - "L1": 1.33108944669952, + "a1": 120.789249948706, + "L4": 1.51596164600628, + "L5": 1.23291279987988, + "L2": 1.45239391520741, + "L3": 1.53671868066306, + "a7": 123.555280565772, + "L1": 1.32441261606452, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.471214467358, - "bs": 78.0, - "a2": 109.835683382573, - "a5": 120.904569819217, + "ss": "-", + "a3": 109.672643869461, + "bs": 92.0, + "a2": 111.087645139188, + "a5": 120.747916770495, "sidechain_LEU": null, - "chainIndex": 8, + "chainIndex": 31, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.016901729687 + "a4": 109.59642674654 } }, { "pk": 764, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.196779467431, - "psi": 8.11931862618778, - "oldID": "239", + "a6": 116.346653709194, + "psi": -153.722289838425, + "oldID": "33", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.650783251144, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 766, + "next": 765, "sidechain_SER": null, - "bm": 17.0, + "bm": 100.0, "xpr": false, - "prev": 762, + "prev": 763, "terminal_flag": false, - "phi": 75.2049577923808, + "phi": -100.828629706625, "chainID": "A", "sidechain_GLN": null, - "ome": -178.933575006756, + "ome": 179.980853663072, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 122.818868957823, - "L4": 1.51626080085517, - "L5": 1.22712763617487, - "L2": 1.45389757469419, - "L3": null, - "a7": 122.20553458608, - "L1": 1.32485422933756, + "a1": 122.36600897446, + "L4": 1.52709865270943, + "L5": 1.23104494158242, + "L2": 1.45359435477128, + "L3": 1.51900211796774, + "a7": 123.119793433362, + "L1": 1.32823010278145, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.643152807176, - "bs": 0.0, - "a2": null, - "a5": 119.59497393357, + "ss": "-", + "a3": 110.55942960803, + "bs": 99.0, + "a2": 109.720201231164, + "a5": 120.533368985611, "sidechain_LEU": null, - "chainIndex": 238, + "chainIndex": 32, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.220191437374 } }, { "pk": 765, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 39, + "aa": "k", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.433534675651, - "psi": 125.765040971212, - "oldID": "10", - "bg": 70.94, + "a6": 116.342872845615, + "psi": -16.7371473048219, + "oldID": "34", + "bg": 103.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.6253939853388, + "zeta": 34.1977977589728, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 39, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 767, + "next": 766, "sidechain_SER": null, - "bm": 70.0, + "bm": 105.0, "xpr": false, - "prev": 763, + "prev": 764, "terminal_flag": false, - "phi": -56.8560140340619, + "phi": -148.427040032901, "chainID": "A", "sidechain_GLN": null, - "ome": 179.614539760553, - "chi2": -41.9016131343862, - "chi3": 38.6227007497605, - "chi1": 28.5783039369652, - "chi4": -21.3340257135576, + "ome": 178.923338297812, + "chi2": 134.318808945178, + "chi3": -179.962087025908, + "chi1": -179.919056296973, + "chi4": 175.742311135845, "chi5": null, - "a1": 121.132090241642, - "L4": 1.53449770088879, - "L5": 1.23365680941564, - "L2": 1.46670694028261, - "L3": 1.53221087515339, - "a7": 123.377523436015, - "L1": 1.34014382475191, + "a1": 121.939395188941, + "L4": 1.52899531773106, + "L5": 1.23151927454403, + "L2": 1.45894354722691, + "L3": 1.53413496698497, + "a7": 122.868801331705, + "L1": 1.33018562977775, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 4.94600227642571, + "omep": null, "ss": "-", - "a3": 114.779292941523, - "bs": 71.0, - "a2": 103.154266319871, - "a5": 121.187538151667, + "a3": 110.641853124441, + "bs": 102.0, + "a2": 110.132057879109, + "a5": 120.787293685728, "sidechain_LEU": null, - "chainIndex": 9, + "chainIndex": 33, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.819054578237 + "a4": 110.567240910719 } }, { "pk": 766, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.598966960818, - "psi": 5.08996282122955, - "oldID": "240", - "bg": 17.32, + "a6": 116.050318743815, + "psi": 91.1544968531572, + "oldID": "35", + "bg": 111.62, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1353370983088, + "sidechain_ILE": 39, + "protein": "1TWF", + "zeta": 34.5095539189629, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 768, - "sidechain_SER": 37, - "bm": 16.0, + "next": 767, + "sidechain_SER": null, + "bm": 112.0, "xpr": false, - "prev": 764, + "prev": 765, "terminal_flag": false, - "phi": -95.4814457355153, + "phi": 42.8020256095331, "chainID": "A", "sidechain_GLN": null, - "ome": -173.480787493515, - "chi2": null, + "ome": -179.883558439602, + "chi2": 71.4657493789356, "chi3": null, - "chi1": 69.8350976550342, + "chi1": -61.1957190039389, "chi4": null, "chi5": null, - "a1": 120.261315770651, - "L4": 1.52871123344353, - "L5": 1.22964596177117, - "L2": 1.46861996528971, - "L3": 1.5239780443818, - "a7": 123.103520254752, - "L1": 1.33238461156807, + "a1": 122.050812479519, + "L4": 1.53348616308987, + "L5": 1.2327544476026, + "L2": 1.462569505602, + "L3": 1.55444061666607, + "a7": 122.912453033885, + "L1": 1.3299825334167, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 111.545309538039, - "bs": 16.0, - "a2": 111.126937167242, - "a5": 120.29740606841, + "a3": 113.247594282018, + "bs": 111.0, + "a2": 110.763446768829, + "a5": 121.034120706845, "sidechain_LEU": null, - "chainIndex": 239, + "chainIndex": 34, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.185688501432 + "a4": 108.841520557474 } }, { "pk": 767, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.732244810211, - "psi": 131.045278287584, - "oldID": "11", - "bg": 65.87, + "a6": 115.393943956505, + "psi": -47.4954489097175, + "oldID": "36", + "bg": 119.49, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3093129241795, + "zeta": 35.7399833137608, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 769, + "next": 768, "sidechain_SER": null, - "bm": 64.0, + "bm": 120.0, "xpr": false, - "prev": 765, + "prev": 766, "terminal_flag": false, - "phi": -75.5578853086154, + "phi": -107.650557877744, "chainID": "A", "sidechain_GLN": null, - "ome": -179.657851550425, - "chi2": 63.3844448795195, - "chi3": null, - "chi1": 167.604584047889, - "chi4": null, - "chi5": null, - "a1": 123.097320286513, - "L4": 1.52134270060644, - "L5": 1.22487598745701, - "L2": 1.45742754700374, - "L3": 1.52775324921311, - "a7": 122.756067480231, - "L1": 1.33174040836617, - "sidechain_ARG": null, + "ome": 179.845057228921, + "chi2": 168.328588776344, + "chi3": -165.665472445882, + "chi1": -35.9611570984629, + "chi4": 174.755836723486, + "chi5": 0.0526752321146111, + "a1": 122.281775947343, + "L4": 1.52228933973614, + "L5": 1.22822045070295, + "L2": 1.45989784574283, + "L3": 1.52859086157946, + "a7": 123.341429685588, + "L1": 1.32959527426956, + "sidechain_ARG": 37, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 110.400473657586, - "bs": 66.0, - "a2": 110.12607784262, - "a5": 120.51000283545, - "sidechain_LEU": 64, - "chainIndex": 10, + "ss": "-", + "a3": 108.930503563925, + "bs": 120.0, + "a2": 109.929125069764, + "a5": 121.262280457453, + "sidechain_LEU": null, + "chainIndex": 35, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.013460422039 + "a4": 108.943617901522 } }, { "pk": 768, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 45, - "a6": 117.686538712769, - "psi": -39.1562559695724, - "oldID": "241", - "bg": 16.69, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 117.194307372438, + "psi": 109.878817276804, + "oldID": "37", + "bg": 131.53, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3137208471759, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 35.1933295662053, + "sidechain_PHE": 34, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 770, + "next": 769, "sidechain_SER": null, - "bm": 15.0, + "bm": 127.0, "xpr": false, - "prev": 766, + "prev": 767, "terminal_flag": false, - "phi": -51.7944660502178, + "phi": -84.5360094635436, "chainID": "A", "sidechain_GLN": null, - "ome": -179.746082675338, - "chi2": 71.5974117506124, + "ome": 179.999373504645, + "chi2": -27.7352900146364, "chi3": null, - "chi1": -65.0271044570914, + "chi1": -62.9843903187672, "chi4": null, "chi5": null, - "a1": 121.494105414093, - "L4": 1.51204868413729, - "L5": 1.21069158099307, - "L2": 1.46018026428717, - "L3": 1.52175642434666, - "a7": 123.106857293402, - "L1": 1.32570766316218, + "a1": 122.451777695509, + "L4": 1.5233275889065, + "L5": 1.22992043289031, + "L2": 1.45456132080706, + "L3": 1.53005280295642, + "a7": 121.998615729087, + "L1": 1.32843211886797, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.694242354121, - "bs": 17.0, - "a2": 110.864763087049, - "a5": 119.05275359372, + "ss": "-", + "a3": 110.275452982964, + "bs": 132.0, + "a2": 109.786436732041, + "a5": 120.805700003834, "sidechain_LEU": null, - "chainIndex": 240, + "chainIndex": 36, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.294263091549 + "a4": 109.598404201759 } }, { "pk": 769, "model": "pgd_core.residue", "fields": { - "aa": "r", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 46, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.752205317595, - "psi": 172.389038650832, - "oldID": "12", - "bg": 69.21, + "a6": 116.071612970094, + "psi": 44.5421037742646, + "oldID": "38", + "bg": 132.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.672452319634, + "zeta": 37.7364972247043, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 771, + "next": 770, "sidechain_SER": null, - "bm": 60.0, + "bm": 133.0, "xpr": false, - "prev": 767, + "prev": 768, "terminal_flag": false, - "phi": -147.349723986682, + "phi": -78.0350438160454, "chainID": "A", "sidechain_GLN": null, - "ome": 179.239043309897, - "chi2": -169.512459016711, - "chi3": 174.314323136852, - "chi1": -73.6747267259282, - "chi4": 179.402314138598, - "chi5": -0.0711427102427118, - "a1": 120.982019031037, - "L4": 1.52175605022112, - "L5": 1.23185698249008, - "L2": 1.45389939119171, - "L3": 1.53151079503473, - "a7": 122.935645005507, - "L1": 1.32726128037512, - "sidechain_ARG": 39, + "ome": -179.330220635942, + "chi2": -44.8679259133272, + "chi3": 35.619947427192, + "chi1": 36.3013700161109, + "chi4": -12.9731367156763, + "chi5": null, + "a1": 122.48716269869, + "L4": 1.52563641643741, + "L5": 1.22970960773778, + "L2": 1.46551897143023, + "L3": 1.52147222638411, + "a7": 123.114681440035, + "L1": 1.34092372728215, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.680616394606, - "bs": 77.0, - "a2": 110.302529105017, - "a5": 121.30973934459, + "omep": -5.18663792760855, + "ss": "S", + "a3": 112.409971136751, + "bs": 132.0, + "a2": 102.647299505227, + "a5": 120.813477631033, "sidechain_LEU": null, - "chainIndex": 11, + "chainIndex": 37, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.13265474516 + "a4": 112.265860177503 } }, { "pk": 770, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.373703543266, - "psi": -36.8395130712788, - "oldID": "242", - "bg": 20.35, + "a6": 117.015881405678, + "psi": -174.555674222677, + "oldID": "39", + "bg": 141.33, "sidechain_CYS": null, - "sidechain_ILE": 40, - "protein": "1H0H", - "zeta": 31.022376794883, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 35.4660725184989, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 772, + "next": 771, "sidechain_SER": null, - "bm": 15.0, + "bm": 141.0, "xpr": false, - "prev": 768, + "prev": 769, "terminal_flag": false, - "phi": -56.0091029491087, + "phi": -141.970005773303, "chainID": "A", "sidechain_GLN": null, - "ome": 178.467824272903, - "chi2": 167.639328179681, - "chi3": null, - "chi1": -81.1872570722516, + "ome": 179.734862658402, + "chi2": 146.822990914573, + "chi3": -52.5587346550951, + "chi1": -48.3648096895613, "chi4": null, "chi5": null, - "a1": 120.103122013766, - "L4": 1.51771989743737, - "L5": 1.235386247477, - "L2": 1.45301261629931, - "L3": 1.55049250362219, - "a7": 122.484110302767, - "L1": 1.33735242501529, + "a1": 122.183208713824, + "L4": 1.52884935252755, + "L5": 1.22854684740429, + "L2": 1.45828212653163, + "L3": 1.52863255191036, + "a7": 122.495217815749, + "L1": 1.32880741954444, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 67, "omep": null, - "ss": "H", - "a3": 113.328271627313, - "bs": 20.0, - "a2": 112.875649449128, - "a5": 120.137940202994, + "ss": "-", + "a3": 109.561795748708, + "bs": 141.0, + "a2": 109.205449715893, + "a5": 120.487939834655, "sidechain_LEU": null, - "chainIndex": 241, + "chainIndex": 38, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.351810604461 + "a4": 109.897638962749 } }, { @@ -109808,1215 +97704,1215 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.550898843002, - "psi": 146.779375363454, - "oldID": "13", - "bg": 52.41, + "a6": 116.416211781813, + "psi": 154.419222682396, + "oldID": "40", + "bg": 149.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3583433090191, + "zeta": 35.2385506561143, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 36, + "sidechain_THR": 35, "sidechain_TRP": null, - "next": 773, + "next": 772, "sidechain_SER": null, - "bm": 51.0, + "bm": 149.0, "xpr": false, - "prev": 769, + "prev": 770, "terminal_flag": false, - "phi": -109.298476257429, + "phi": -154.637290552119, "chainID": "A", "sidechain_GLN": null, - "ome": 179.904967446882, + "ome": 179.085284795387, "chi2": null, "chi3": null, - "chi1": 54.375634644424, + "chi1": -43.0920076468858, "chi4": null, "chi5": null, - "a1": 121.601512139044, - "L4": 1.52158096358033, - "L5": 1.22744894729467, - "L2": 1.45411017295389, - "L3": 1.53881505260448, - "a7": 122.826428070183, - "L1": 1.3267057538478, + "a1": 120.819102679643, + "L4": 1.52350733109271, + "L5": 1.23027999307565, + "L2": 1.46119688771484, + "L3": 1.5429167250537, + "a7": 122.91369608961, + "L1": 1.32844077334486, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.347863861063, - "bs": 51.0, - "a2": 110.976698739831, - "a5": 120.599543351496, + "a3": 111.24882573409, + "bs": 149.0, + "a2": 111.47952527676, + "a5": 120.670090987309, "sidechain_LEU": null, - "chainIndex": 12, + "chainIndex": 39, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.004989359138 + "a4": 107.640196094039 } }, { "pk": 772, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.652557038614, - "psi": -46.5145546395633, - "oldID": "243", - "bg": 0.0, + "a6": 116.148024022329, + "psi": -166.001145850958, + "oldID": "41", + "bg": 157.29, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9044259110426, + "protein": "1TWF", + "zeta": 34.8696513530861, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 19, "sidechain_THR": null, "sidechain_TRP": null, - "next": 774, + "next": 773, "sidechain_SER": null, - "bm": 13.0, + "bm": 156.0, "xpr": false, - "prev": 770, + "prev": 771, "terminal_flag": false, - "phi": -63.4943527758992, + "phi": 59.0856215020543, "chainID": "A", "sidechain_GLN": null, - "ome": -178.460710697282, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -179.801955003689, + "chi2": 162.92496717231, + "chi3": -88.7868603374638, + "chi1": -59.6974163775818, "chi4": null, "chi5": null, - "a1": 121.008624726716, - "L4": 1.52393234243327, - "L5": 1.21402057892654, - "L2": 1.45508057641428, - "L3": 1.52115597824157, - "a7": 123.520112047896, - "L1": 1.3232950370848, + "a1": 121.200318151662, + "L4": 1.53140466655681, + "L5": 1.23104644911109, + "L2": 1.45914940287909, + "L3": 1.53145027373372, + "a7": 122.979519474005, + "L1": 1.33006478214806, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.505828031415, - "bs": 13.0, - "a2": 110.793608688792, - "a5": 120.826207059732, + "ss": "S", + "a3": 112.569578720435, + "bs": 157.0, + "a2": 109.158570183646, + "a5": 120.872430583877, "sidechain_LEU": null, - "chainIndex": 242, + "chainIndex": 40, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.093814380233 + "a4": 109.964799311043 } }, { "pk": 773, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.11485687442, - "psi": 120.296772093021, - "oldID": "14", - "bg": 43.48, + "sidechain_ASP": 50, + "a6": 116.238409500751, + "psi": 43.7185983707903, + "oldID": "42", + "bg": 161.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3449603927488, + "zeta": 33.7110582521606, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 62, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 775, + "next": 774, "sidechain_SER": null, - "bm": 46.0, + "bm": 160.0, "xpr": false, - "prev": 771, + "prev": 772, "terminal_flag": false, - "phi": -71.1578085336374, + "phi": 55.2511354973358, "chainID": "A", "sidechain_GLN": null, - "ome": 179.778788636973, - "chi2": null, + "ome": 178.24709116186, + "chi2": -1.08048567594652, "chi3": null, - "chi1": 170.732709925916, + "chi1": -77.6875277539286, "chi4": null, "chi5": null, - "a1": 120.95011808117, - "L4": 1.51756867353511, - "L5": 1.22548769248027, - "L2": 1.45311517728257, - "L3": 1.5398639628387, - "a7": 123.31357850344, - "L1": 1.32704810872334, + "a1": 122.326794036035, + "L4": 1.52335236098779, + "L5": 1.2308723468308, + "L2": 1.45905818571699, + "L3": 1.53131207286121, + "a7": 123.046565234798, + "L1": 1.33032705648327, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.133536488988, - "bs": 43.0, - "a2": 111.291933704718, - "a5": 120.569300038445, + "a3": 114.009419881356, + "bs": 161.0, + "a2": 110.427208154208, + "a5": 120.714378743171, "sidechain_LEU": null, - "chainIndex": 13, + "chainIndex": 41, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.811802193541 + "a4": 109.819484627207 } }, { "pk": 774, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.601979946048, - "psi": -44.7600423841285, - "oldID": "244", - "bg": 15.79, + "a6": 115.466701578354, + "psi": 82.4218462633189, + "oldID": "43", + "bg": 163.13, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1373700159956, - "sidechain_PHE": 25, + "protein": "1TWF", + "zeta": 35.3318617888685, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 776, + "next": 775, "sidechain_SER": null, - "bm": 14.0, + "bm": 162.0, "xpr": false, - "prev": 772, + "prev": 773, "terminal_flag": false, - "phi": -61.082513719588, + "phi": -72.7595191719981, "chainID": "A", "sidechain_GLN": null, - "ome": -178.302051126437, - "chi2": -83.4660561010696, - "chi3": null, - "chi1": -175.030014957218, + "ome": -177.908714908452, + "chi2": -167.423702345244, + "chi3": -61.5866390923592, + "chi1": -49.8057390468328, "chi4": null, "chi5": null, - "a1": 122.25934489502, - "L4": 1.52856576832176, - "L5": 1.24535883463035, - "L2": 1.46016902570846, - "L3": 1.52538483735762, - "a7": 123.099334704391, - "L1": 1.32484072627509, + "a1": 121.27828524749, + "L4": 1.51721852909453, + "L5": 1.23042579409414, + "L2": 1.45714164954605, + "L3": 1.52805440074963, + "a7": 123.712532901081, + "L1": 1.32918245721915, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 68, "omep": null, - "ss": "H", - "a3": 109.831611393042, - "bs": 17.0, - "a2": 109.436167367664, - "a5": 121.247968798701, + "ss": "T", + "a3": 104.742801548348, + "bs": 163.0, + "a2": 110.375448904524, + "a5": 120.820379970619, "sidechain_LEU": null, - "chainIndex": 243, + "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.026643534104 + "a4": 110.175218001481 } }, { "pk": 775, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.805658048935, - "psi": -42.8525107916659, - "oldID": "15", - "bg": 57.06, + "a6": 115.450747632793, + "psi": 50.1441654844168, + "oldID": "44", + "bg": 161.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9610986261846, + "zeta": 34.5843981209778, "sidechain_PHE": null, - "sidechain_LYS": 41, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 36, "sidechain_TRP": null, - "next": 777, + "next": 776, "sidechain_SER": null, - "bm": 50.0, + "bm": 162.0, "xpr": false, - "prev": 773, + "prev": 774, "terminal_flag": false, - "phi": -95.8656566004776, + "phi": 72.8300077612263, "chainID": "A", "sidechain_GLN": null, - "ome": -179.379191203996, - "chi2": -67.1902816815269, - "chi3": -174.239440140209, - "chi1": -61.4240030171786, - "chi4": -177.836275494719, + "ome": -179.870398495666, + "chi2": null, + "chi3": null, + "chi1": -48.26231571682, + "chi4": null, "chi5": null, - "a1": 122.209231618963, - "L4": 1.52937242607938, - "L5": 1.22549009177501, - "L2": 1.45896935078697, - "L3": 1.53644833221071, - "a7": 122.746068951253, - "L1": 1.3311264369204, + "a1": 122.617472523848, + "L4": 1.52714532180043, + "L5": 1.23129525698538, + "L2": 1.45700147635302, + "L3": 1.55404580693669, + "a7": 123.364335118244, + "L1": 1.32915325705528, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.170897589418, - "bs": 57.0, - "a2": 110.531279765027, - "a5": 120.444883559812, + "ss": "T", + "a3": 105.663511614794, + "bs": 162.0, + "a2": 111.919200917201, + "a5": 121.175823201736, "sidechain_LEU": null, - "chainIndex": 14, + "chainIndex": 43, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.935198963117 + "a4": 109.880038295518 } }, { "pk": 776, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.768103532938, - "psi": -39.0315769982436, - "oldID": "245", - "bg": 15.19, + "a6": 116.308958015269, + "psi": -3.21251396934455, + "oldID": "45", + "bg": 162.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.589078674088, + "protein": "1TWF", + "zeta": 34.8054342771266, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 778, + "next": 777, "sidechain_SER": null, - "bm": 12.0, + "bm": 161.0, "xpr": false, - "prev": 774, + "prev": 775, "terminal_flag": false, - "phi": -72.1603453805308, + "phi": 74.6163394490284, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.319871706349, - "chi2": 159.418272939273, - "chi3": null, - "chi1": -65.3137993452929, + "sidechain_GLN": 34, + "ome": -179.538856142218, + "chi2": 148.736085621275, + "chi3": 53.5754827514397, + "chi1": -57.1694209531904, "chi4": null, "chi5": null, - "a1": 121.179913874646, - "L4": 1.53331615100482, - "L5": 1.23278708232255, - "L2": 1.45936084185917, - "L3": 1.52629214615434, - "a7": 121.841902062975, - "L1": 1.32588770403878, + "a1": 122.585489630539, + "L4": 1.52430967941268, + "L5": 1.22964741284747, + "L2": 1.4601862274754, + "L3": 1.53135096265141, + "a7": 123.163449119251, + "L1": 1.33341365589378, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.835445726487, - "bs": 15.0, - "a2": 110.061537032902, - "a5": 120.368396789628, - "sidechain_LEU": 65, - "chainIndex": 244, + "ss": "S", + "a3": 111.223576002616, + "bs": 162.0, + "a2": 110.339341675919, + "a5": 120.527073130704, + "sidechain_LEU": null, + "chainIndex": 44, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.622706828969 + "a4": 109.298349210902 } }, { "pk": 777, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.48651788751, - "psi": 156.518801338028, - "oldID": "16", - "bg": 54.29, + "a6": 116.344660711364, + "psi": 111.055690508787, + "oldID": "46", + "bg": 160.14, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.6102874013782, + "zeta": 34.9308084370051, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 37, "sidechain_TRP": null, - "next": 779, + "next": 778, "sidechain_SER": null, - "bm": 48.0, + "bm": 159.0, "xpr": false, - "prev": 775, + "prev": 776, "terminal_flag": false, - "phi": -129.559753755265, + "phi": -85.9539414245147, "chainID": "A", "sidechain_GLN": null, - "ome": 177.551886570977, - "chi2": -158.512533940986, - "chi3": -44.0534056684704, - "chi1": -72.3827472884816, + "ome": -179.950588840127, + "chi2": null, + "chi3": null, + "chi1": -52.1530665292498, "chi4": null, "chi5": null, - "a1": 122.212932676789, - "L4": 1.52817657560984, - "L5": 1.23249463209346, - "L2": 1.46831749749411, - "L3": 1.53062250236829, - "a7": 122.612363940972, - "L1": 1.32975689669669, + "a1": 122.087827856633, + "L4": 1.52479599796006, + "L5": 1.23192993153355, + "L2": 1.46139447966652, + "L3": 1.54622316705507, + "a7": 122.710126021031, + "L1": 1.33072223221284, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 65, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.530653933974, - "bs": 53.0, - "a2": 111.210218716902, - "a5": 120.900989803108, + "ss": "-", + "a3": 111.601447338208, + "bs": 159.0, + "a2": 111.209125721587, + "a5": 120.94508312491, "sidechain_LEU": null, - "chainIndex": 15, + "chainIndex": 45, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.798824069822 + "a4": 108.284631636137 } }, { "pk": 778, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "r", "sidechain_PRO": null, - "sidechain_ASN": 29, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.420340404619, - "psi": -32.8849163387532, - "oldID": "246", - "bg": 11.79, + "a6": 115.762039475007, + "psi": 76.6423229128004, + "oldID": "47", + "bg": 157.58, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6542532230147, + "protein": "1TWF", + "zeta": 34.2323582729298, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 780, + "next": 779, "sidechain_SER": null, - "bm": 13.0, + "bm": 155.0, "xpr": false, - "prev": 776, + "prev": 777, "terminal_flag": false, - "phi": -70.6439794317262, + "phi": -71.2477536612386, "chainID": "A", "sidechain_GLN": null, - "ome": 174.842737874662, - "chi2": 8.15750694256044, - "chi3": null, - "chi1": -79.806172993194, - "chi4": null, - "chi5": null, - "a1": 119.250363759662, - "L4": 1.50995561041586, - "L5": 1.23486054787977, - "L2": 1.46735092780252, - "L3": 1.52958058717529, - "a7": 123.182902306365, - "L1": 1.32739930996309, - "sidechain_ARG": null, + "ome": 179.619249127999, + "chi2": 178.166029660545, + "chi3": 170.656822232116, + "chi1": -74.8241164895889, + "chi4": 177.30413692935, + "chi5": -0.121273842477135, + "a1": 121.04652979569, + "L4": 1.52297137487411, + "L5": 1.23101873642416, + "L2": 1.45766045113406, + "L3": 1.52770919074671, + "a7": 123.202717001924, + "L1": 1.3292462308824, + "sidechain_ARG": 38, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.733372046881, - "bs": 12.0, - "a2": 111.328730553963, - "a5": 120.392166481975, + "ss": "-", + "a3": 111.687646362829, + "bs": 159.0, + "a2": 110.084607548524, + "a5": 121.034844690511, "sidechain_LEU": null, - "chainIndex": 245, + "chainIndex": 46, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.429058480341 + "a4": 110.20512537429 } }, { "pk": 779, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.774866987794, - "psi": 115.246013923662, - "oldID": "17", - "bg": 40.98, + "a6": 116.289191191039, + "psi": -99.0358696577365, + "oldID": "48", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.4655045575649, + "zeta": 34.6575131414559, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 63, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 781, + "next": 780, "sidechain_SER": null, - "bm": 39.0, + "bm": 149.0, "xpr": false, - "prev": 777, + "prev": 778, "terminal_flag": false, - "phi": -130.447598824016, + "phi": -114.716117832416, "chainID": "A", "sidechain_GLN": null, - "ome": -179.897191408394, + "ome": 179.643955820588, "chi2": null, "chi3": null, - "chi1": 164.695825868137, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.567513175175, - "L4": 1.52084417805275, - "L5": 1.22991202184875, - "L2": 1.45340118362567, - "L3": 1.55084529382146, - "a7": 122.667733482897, - "L1": 1.32788114715176, + "a1": 121.903259066434, + "L4": 1.52594079545396, + "L5": 1.2313918189996, + "L2": 1.45769718486639, + "L3": 1.52679240713724, + "a7": 123.264203285352, + "L1": 1.32989471855361, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.9879927529, - "bs": 38.0, - "a2": 112.397231811668, - "a5": 120.514534393615, + "ss": "S", + "a3": 108.800141958875, + "bs": 149.0, + "a2": 109.992957090651, + "a5": 120.444916959219, "sidechain_LEU": null, - "chainIndex": 16, + "chainIndex": 47, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.776121404388 + "a4": 110.513263956021 } }, { "pk": 780, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.112257613258, - "psi": -37.7091917811805, - "oldID": "247", - "bg": 0.0, + "a6": 116.443754061587, + "psi": 106.595272332686, + "oldID": "49", + "bg": 143.24, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.9918463219734, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 40, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 782, + "next": 781, "sidechain_SER": null, - "bm": 13.0, + "bm": 142.0, "xpr": false, - "prev": 778, + "prev": 779, "terminal_flag": false, - "phi": -61.4161621386391, + "phi": -175.342372748345, "chainID": "A", "sidechain_GLN": null, - "ome": 175.212361595134, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": -179.838342475013, + "chi2": 166.701943993142, + "chi3": -179.770055369921, + "chi1": -106.854771068425, + "chi4": 174.239438186186, "chi5": null, - "a1": 120.944074185065, - "L4": 1.51883911326196, - "L5": 1.23126095872393, - "L2": 1.45093282546101, - "L3": null, - "a7": 122.378738576962, - "L1": 1.33541913935741, + "a1": 122.959782105311, + "L4": 1.52089754655348, + "L5": 1.23138107091399, + "L2": 1.46552696954463, + "L3": 1.5321147377042, + "a7": 122.973400680946, + "L1": 1.33255448866035, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.815152176969, - "bs": 0.0, - "a2": null, - "a5": 120.506691335776, + "ss": "-", + "a3": 109.553154606007, + "bs": 143.0, + "a2": 110.799479550057, + "a5": 120.582843911305, "sidechain_LEU": null, - "chainIndex": 246, + "chainIndex": 48, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.032623946436 } }, { "pk": 781, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.036441761457, - "psi": 114.535979178727, - "oldID": "18", - "bg": 36.78, + "a6": 116.132031698711, + "psi": 148.620354163895, + "oldID": "50", + "bg": 135.19, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 40, "protein": "1TWF", - "zeta": 34.1615437160274, + "zeta": 34.4739452151978, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 783, + "next": 782, "sidechain_SER": null, - "bm": 38.0, + "bm": 135.0, "xpr": false, - "prev": 779, + "prev": 780, "terminal_flag": false, - "phi": -101.379519015537, + "phi": -65.4032708105356, "chainID": "A", - "sidechain_GLN": 33, - "ome": 179.345321191845, - "chi2": 66.8792653567839, - "chi3": 62.1022441678141, - "chi1": 173.277877484999, + "sidechain_GLN": null, + "ome": -179.967346474819, + "chi2": -179.560928861269, + "chi3": null, + "chi1": -61.4391060514067, "chi4": null, "chi5": null, - "a1": 120.802279764208, - "L4": 1.51178140319926, - "L5": 1.22559673140838, - "L2": 1.46472535007523, - "L3": 1.53372462864816, - "a7": 122.913047983559, - "L1": 1.33112815085402, + "a1": 121.382684008429, + "L4": 1.52539212430221, + "L5": 1.22972816081196, + "L2": 1.45913154456118, + "L3": 1.54332241682225, + "a7": 123.178159753849, + "L1": 1.32869641244112, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.093514579411, - "bs": 36.0, - "a2": 111.17811186451, - "a5": 121.046761172294, + "ss": "-", + "a3": 111.058140451858, + "bs": 135.0, + "a2": 111.278747702434, + "a5": 120.68949354426, "sidechain_LEU": null, - "chainIndex": 17, + "chainIndex": 49, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.475312425736 + "a4": 109.006712577282 } }, { "pk": 782, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.261547980888, - "psi": -41.0118810520751, - "oldID": "248", - "bg": 15.11, + "a6": 116.012400831859, + "psi": 19.2403305889717, + "oldID": "51", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1115535627491, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 19, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 784, + "next": 783, "sidechain_SER": null, - "bm": 13.0, + "bm": 130.0, "xpr": false, - "prev": 780, + "prev": 781, "terminal_flag": false, - "phi": -63.9875290015672, + "phi": -74.0982841932907, "chainID": "A", "sidechain_GLN": null, - "ome": 179.277796809351, - "chi2": 178.188088912326, - "chi3": -72.1630475506575, - "chi1": -175.796552340327, + "ome": -179.849750872441, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.093769965848, - "L4": 1.55400398866757, - "L5": 1.23321094733271, - "L2": 1.46677536841888, - "L3": 1.5421558164404, - "a7": 120.737051992694, - "L1": 1.32342057647569, + "a1": 121.056856542552, + "L4": 1.5165377900135, + "L5": 1.23199752555127, + "L2": 1.45225507848212, + "L3": null, + "a7": 122.948358627841, + "L1": 1.33105693475317, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.639403689787, - "bs": 16.0, - "a2": 110.755602821964, - "a5": 121.974594838342, + "ss": "S", + "a3": 112.400918413955, + "bs": 0.0, + "a2": null, + "a5": 121.039167336288, "sidechain_LEU": null, - "chainIndex": 247, + "chainIndex": 50, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.390469774817 + "a4": null } }, { "pk": 783, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.453618934393, - "psi": 161.613649967409, - "oldID": "19", - "bg": 44.89, + "a6": 116.961276839284, + "psi": -57.3253810591759, + "oldID": "52", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.0316411944957, - "sidechain_PHE": 26, + "zeta": null, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 785, + "next": 784, "sidechain_SER": null, - "bm": 42.0, + "bm": 127.0, "xpr": false, - "prev": 781, + "prev": 782, "terminal_flag": false, - "phi": -87.8455203270665, + "phi": -95.2842492244015, "chainID": "A", "sidechain_GLN": null, - "ome": -179.61162996991, - "chi2": -88.8505066018161, + "ome": -179.866576398096, + "chi2": null, "chi3": null, - "chi1": -70.1098186162683, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.738849658064, - "L4": 1.5206943091738, - "L5": 1.23355167568139, - "L2": 1.44705165960317, - "L3": 1.52983615114984, - "a7": 123.30778185636, - "L1": 1.32446488289639, + "a1": 120.983402818221, + "L4": 1.51713489220262, + "L5": 1.22753877974688, + "L2": 1.45251962988752, + "L3": null, + "a7": 122.708841567422, + "L1": 1.32939590659598, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.190256380864, - "bs": 43.0, - "a2": 110.753258619372, - "a5": 121.227898845659, + "ss": "S", + "a3": 113.45941130471, + "bs": 0.0, + "a2": null, + "a5": 120.329856326601, "sidechain_LEU": null, - "chainIndex": 18, + "chainIndex": 51, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.392769783182 + "a4": null } }, { "pk": 784, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.023250476503, - "psi": -45.825222834851, - "oldID": "249", - "bg": 11.95, + "a6": 115.691543618797, + "psi": 165.441988207146, + "oldID": "53", + "bg": 122.56, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5503337342502, + "protein": "1TWF", + "zeta": 35.0041347581496, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 37, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 786, + "next": 785, "sidechain_SER": null, - "bm": 13.0, + "bm": 124.0, "xpr": false, - "prev": 782, + "prev": 783, "terminal_flag": false, - "phi": -59.9596834639994, + "phi": -132.763346483309, "chainID": "A", "sidechain_GLN": null, - "ome": 177.30469607022, - "chi2": null, + "ome": 178.553855829999, + "chi2": 178.397125886211, "chi3": null, - "chi1": -48.2419276995314, + "chi1": -133.92193542893, "chi4": null, "chi5": null, - "a1": 119.405863696569, - "L4": 1.52169763813701, - "L5": 1.24168112274007, - "L2": 1.45935208571572, - "L3": 1.54659051360908, - "a7": 123.027318925944, - "L1": 1.32139824415049, + "a1": 121.324854617853, + "L4": 1.53003656076012, + "L5": 1.23226638086619, + "L2": 1.45911036311835, + "L3": 1.53550946313348, + "a7": 123.031524225684, + "L1": 1.33032145834361, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.961276648916, - "bs": 13.0, - "a2": 111.13561121691, - "a5": 120.937019945067, - "sidechain_LEU": null, - "chainIndex": 248, + "ss": "S", + "a3": 111.88814307146, + "bs": 122.0, + "a2": 109.684895992054, + "a5": 121.273731797992, + "sidechain_LEU": 61, + "chainIndex": 52, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.132293875921 + "a4": 109.506067272182 } }, { "pk": 785, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 25, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.801220516401, - "psi": -170.880106536332, - "oldID": "20", - "bg": 0.0, + "a6": 119.084996893871, + "psi": -15.4639502612955, + "oldID": "54", + "bg": 123.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 33.5114728352454, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 787, + "next": 786, "sidechain_SER": null, - "bm": 47.0, + "bm": 125.0, "xpr": false, - "prev": 783, + "prev": 784, "terminal_flag": false, - "phi": 176.732967202208, + "phi": 64.7475463248391, "chainID": "A", "sidechain_GLN": null, - "ome": -179.72199527575, - "chi2": null, + "ome": 179.34393202932, + "chi2": 58.1500760415272, "chi3": null, - "chi1": null, + "chi1": -69.2227913289849, "chi4": null, "chi5": null, - "a1": 120.470516947079, - "L4": 1.5104833596777, - "L5": 1.23241650625461, - "L2": 1.4489338905953, - "L3": null, - "a7": 123.23455877031, - "L1": 1.32454658988204, + "a1": 122.979414178514, + "L4": 1.52759490422372, + "L5": 1.23248152301255, + "L2": 1.46062099207925, + "L3": 1.52558876654206, + "a7": 121.535744833062, + "L1": 1.32819449726461, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.581248212347, - "bs": 0.0, - "a2": null, - "a5": 120.962484761257, + "ss": "S", + "a3": 117.887729155044, + "bs": 123.0, + "a2": 109.96512918397, + "a5": 119.379249614425, "sidechain_LEU": null, - "chainIndex": 19, + "chainIndex": 53, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.016089969972 } }, { "pk": 786, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.679315296358, - "psi": -48.7548087353167, - "oldID": "250", - "bg": 14.92, + "chain": "1TWFA", + "sidechain_ASP": 51, + "a6": 118.632262156809, + "psi": -3.63363243866259, + "oldID": "55", + "bg": 127.85, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0976895341599, + "protein": "1TWF", + "zeta": 33.4052682830243, "sidechain_PHE": null, - "sidechain_LYS": 42, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 788, + "next": 787, "sidechain_SER": null, - "bm": 13.0, + "bm": 127.0, "xpr": false, - "prev": 784, + "prev": 785, "terminal_flag": false, - "phi": -55.5524433591968, + "phi": -161.851560029704, "chainID": "A", "sidechain_GLN": null, - "ome": -177.063123788408, - "chi2": 174.419914507662, - "chi3": -159.21409352093, - "chi1": 173.765170501721, - "chi4": -78.9377329516591, + "ome": -179.976135483456, + "chi2": 59.6513573663734, + "chi3": null, + "chi1": -155.327658610028, + "chi4": null, "chi5": null, - "a1": 122.14400022169, - "L4": 1.51314034157733, - "L5": 1.22822417334488, - "L2": 1.45287104663433, - "L3": 1.54796736050493, - "a7": 123.130989290743, - "L1": 1.32989670554062, + "a1": 117.652903217379, + "L4": 1.52614789441622, + "L5": 1.23075532330445, + "L2": 1.45726616186279, + "L3": 1.52950854240461, + "a7": 122.000589984326, + "L1": 1.3308934852199, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.967081639005, - "bs": 16.0, - "a2": 111.24102503343, - "a5": 121.174877699043, + "ss": "-", + "a3": 119.974230438614, + "bs": 127.0, + "a2": 109.148474508434, + "a5": 119.361009566911, "sidechain_LEU": null, - "chainIndex": 249, + "chainIndex": 54, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.922553087123 + "a4": 109.187005395859 } }, { "pk": 787, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 47, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.465510430401, - "psi": 146.696313423292, - "oldID": "21", - "bg": 55.11, + "a6": 116.243053793775, + "psi": -42.3594648078465, + "oldID": "56", + "bg": 128.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7382785537424, + "zeta": 36.9534878983084, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 789, + "next": 788, "sidechain_SER": null, - "bm": 53.0, + "bm": 129.0, "xpr": false, - "prev": 785, + "prev": 786, "terminal_flag": false, - "phi": -110.16956536148, + "phi": -34.0465037234206, "chainID": "A", "sidechain_GLN": null, - "ome": 179.616196281079, - "chi2": 169.120615699586, - "chi3": null, - "chi1": -52.7014524336027, - "chi4": null, + "ome": 179.874398660636, + "chi2": -37.1947496061171, + "chi3": 43.2931131514672, + "chi1": 16.0330343606125, + "chi4": -34.9415300880545, "chi5": null, - "a1": 121.476079575989, - "L4": 1.51960898305066, - "L5": 1.23166047047739, - "L2": 1.45138624025291, - "L3": 1.52624374623238, - "a7": 123.497306944275, - "L1": 1.32630827324813, + "a1": 119.814377173894, + "L4": 1.52352302175869, + "L5": 1.22527665211189, + "L2": 1.47000565483456, + "L3": 1.53525140012349, + "a7": 123.003361599727, + "L1": 1.34670182951961, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 111.271956430653, - "bs": 55.0, - "a2": 109.177620384222, - "a5": 121.035878039479, - "sidechain_LEU": 66, - "chainIndex": 20, + "omep": 14.0072368186453, + "ss": "S", + "a3": 115.484511356956, + "bs": 128.0, + "a2": 103.312116047954, + "a5": 120.753483357854, + "sidechain_LEU": null, + "chainIndex": 55, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.575236732728 + "a4": 112.118972223981 } }, { "pk": 788, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.317798842075, - "psi": -45.0171476626941, - "oldID": "251", - "bg": 17.16, + "a6": 115.629130194186, + "psi": -19.4806471900518, + "oldID": "57", + "bg": 134.55, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8843490333289, + "protein": "1TWF", + "zeta": 35.019846441613, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 790, + "next": 789, "sidechain_SER": null, - "bm": 14.0, + "bm": 131.0, "xpr": false, - "prev": 786, + "prev": 787, "terminal_flag": false, - "phi": -61.1068983066117, + "phi": -159.092569474613, "chainID": "A", "sidechain_GLN": null, - "ome": 177.508607998102, - "chi2": 78.8677331957186, - "chi3": null, - "chi1": -165.739977189749, - "chi4": null, - "chi5": null, - "a1": 121.375844457036, - "L4": 1.52830718001161, - "L5": 1.2381953609004, - "L2": 1.45668429413163, - "L3": 1.52859773413732, - "a7": 122.284312127265, - "L1": 1.32351531999921, - "sidechain_ARG": null, - "sidechain_TYR": 25, + "ome": -179.673174067308, + "chi2": -167.857280754424, + "chi3": 167.74201677427, + "chi1": -71.2611249958439, + "chi4": -173.363385654978, + "chi5": 0.0238111458273942, + "a1": 121.903800050552, + "L4": 1.52414871250467, + "L5": 1.22874970320684, + "L2": 1.45416860865905, + "L3": 1.53298328878075, + "a7": 123.531220790781, + "L1": 1.32653324398371, + "sidechain_ARG": 39, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.069715687415, - "bs": 17.0, - "a2": 108.291290661356, - "a5": 121.385635150151, + "ss": "S", + "a3": 109.780832280623, + "bs": 136.0, + "a2": 110.2916207607, + "a5": 120.8396451005, "sidechain_LEU": null, - "chainIndex": 250, + "chainIndex": 56, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.256966443408 + "a4": 109.512939056928 } }, { "pk": 789, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.714248986292, - "psi": 110.690771699603, - "oldID": "22", - "bg": 64.09, - "sidechain_CYS": null, + "a6": 115.968049631863, + "psi": 178.933165352494, + "oldID": "58", + "bg": 131.84, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.3250039374217, - "sidechain_PHE": 27, + "zeta": 35.5817071527419, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 791, + "next": 790, "sidechain_SER": null, - "bm": 60.0, + "bm": 133.0, "xpr": false, - "prev": 787, + "prev": 788, "terminal_flag": false, - "phi": -81.7308016284185, + "phi": -62.6721748081227, "chainID": "A", "sidechain_GLN": null, - "ome": 179.199681717833, - "chi2": -39.8599493291758, + "ome": 179.837827877867, + "chi2": 172.982818165191, "chi3": null, - "chi1": -117.553877968023, + "chi1": -41.5024226864609, "chi4": null, "chi5": null, - "a1": 122.698114703148, - "L4": 1.52829595298252, - "L5": 1.23294201919043, - "L2": 1.45843165934151, - "L3": 1.52623980057669, - "a7": 122.089418286248, - "L1": 1.32681543964371, + "a1": 123.657039894139, + "L4": 1.52406792160564, + "L5": 1.23096290828852, + "L2": 1.4607212396236, + "L3": 1.53330147065343, + "a7": 123.258337547198, + "L1": 1.32979614513092, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.671325260484, - "bs": 65.0, - "a2": 109.097684308764, - "a5": 120.195797410063, - "sidechain_LEU": null, - "chainIndex": 21, + "ss": "S", + "a3": 110.942575683265, + "bs": 131.0, + "a2": 109.783171023693, + "a5": 120.763210501619, + "sidechain_LEU": 62, + "chainIndex": 57, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.666619560955 + "a4": 108.847972573099 } }, { "pk": 790, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.161978054976, - "psi": -48.6226493916153, - "oldID": "252", - "bg": 13.43, + "a6": 116.982834739779, + "psi": 147.862821393454, + "oldID": "59", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 41, - "protein": "1H0H", - "zeta": 33.9608203176071, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 793, + "next": 791, "sidechain_SER": null, - "bm": 14.0, + "bm": 134.0, "xpr": false, - "prev": 788, + "prev": 789, "terminal_flag": false, - "phi": -58.3454167788457, + "phi": -51.554726581011, "chainID": "A", "sidechain_GLN": null, - "ome": -178.257546823839, - "chi2": 168.394179895671, + "ome": -179.718461367643, + "chi2": null, "chi3": null, - "chi1": -69.9695315037607, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.048867684826, - "L4": 1.53879907730557, - "L5": 1.24592265098457, - "L2": 1.45908011227962, - "L3": 1.5233754332062, - "a7": 122.173207824772, - "L1": 1.32469641123553, + "a1": 120.697356198132, + "L4": 1.51650514407185, + "L5": 1.23062901859435, + "L2": 1.45335955894401, + "L3": null, + "a7": 122.64766194014, + "L1": 1.33080563854756, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.620316730968, - "bs": 14.0, - "a2": 110.110887193008, - "a5": 121.655231840511, + "ss": "-", + "a3": 112.374960202621, + "bs": 0.0, + "a2": null, + "a5": 120.368906123835, "sidechain_LEU": null, - "chainIndex": 251, + "chainIndex": 58, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.110794334566 + "a4": null } }, { @@ -111028,14 +98924,14 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.218955255848, - "psi": 151.575290308547, - "oldID": "23", - "bg": 65.08, + "a6": 115.003305638931, + "psi": -179.33105001097, + "oldID": "60", + "bg": 136.03, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.6104727656803, + "zeta": 34.4896689040387, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -111043,346 +98939,346 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 792, - "sidechain_SER": 38, - "bm": 66.0, + "sidechain_SER": 32, + "bm": 135.0, "xpr": false, - "prev": 789, + "prev": 790, "terminal_flag": false, - "phi": -75.3199159153421, + "phi": -117.826812487814, "chainID": "A", "sidechain_GLN": null, - "ome": 179.784401095259, + "ome": 179.551059307067, "chi2": null, "chi3": null, - "chi1": 83.3079850988078, + "chi1": 66.6856748257563, "chi4": null, "chi5": null, - "a1": 119.647966389791, - "L4": 1.5239886728037, - "L5": 1.23595003885286, - "L2": 1.46557106660864, - "L3": 1.51886585355899, - "a7": 122.096931174574, - "L1": 1.32832141169605, + "a1": 120.645848889229, + "L4": 1.51891975635043, + "L5": 1.23161898807554, + "L2": 1.45806033801359, + "L3": 1.53423780788036, + "a7": 123.459709780905, + "L1": 1.32909882643706, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 108.839604033322, - "bs": 65.0, - "a2": 111.608054788145, - "a5": 120.673138741446, + "a3": 112.993854731112, + "bs": 135.0, + "a2": 110.506844862085, + "a5": 121.536644094481, "sidechain_LEU": null, - "chainIndex": 22, + "chainIndex": 59, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.25467487795 + "a4": 109.096990823746 } }, { "pk": 792, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 40, + "aa": "i", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.452734907987, - "psi": -41.1367063679284, - "oldID": "24", - "bg": 66.0, + "a6": 117.060734763521, + "psi": -148.036577645727, + "oldID": "61", + "bg": 135.99, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 41, "protein": "1TWF", - "zeta": 37.2270451621424, + "zeta": 35.0801868819356, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 794, + "next": 793, "sidechain_SER": null, - "bm": 66.0, + "bm": 137.0, "xpr": false, "prev": 791, "terminal_flag": false, - "phi": -57.9164924540415, + "phi": -133.373109838462, "chainID": "A", "sidechain_GLN": null, - "ome": 179.521978560617, - "chi2": -43.1466843373227, - "chi3": 40.1293235379243, - "chi1": 28.4431277376176, - "chi4": -22.9909353220499, + "ome": 179.656428236436, + "chi2": 174.530216721881, + "chi3": null, + "chi1": -37.6136391911283, + "chi4": null, "chi5": null, - "a1": 121.096194047311, - "L4": 1.53639273954315, - "L5": 1.23217182796807, - "L2": 1.46581928174954, - "L3": 1.52497261571239, - "a7": 122.860458824378, - "L1": 1.34267140052413, + "a1": 122.265999570301, + "L4": 1.53050848305694, + "L5": 1.23325715085548, + "L2": 1.45234654478544, + "L3": 1.54265595476781, + "a7": 122.922855904784, + "L1": 1.32688683769879, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 4.68603916848907, - "ss": "H", - "a3": 112.058454477564, - "bs": 66.0, - "a2": 102.869793692489, - "a5": 120.685104438101, + "omep": null, + "ss": "-", + "a3": 106.775768364661, + "bs": 136.0, + "a2": 110.677087675705, + "a5": 120.015265505701, "sidechain_LEU": null, - "chainIndex": 23, + "chainIndex": 60, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.826394653653 + "a4": 109.934330037067 } }, { "pk": 793, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.077291687771, - "psi": -45.389719426835, - "oldID": "253", - "bg": 15.31, + "chain": "1TWFA", + "sidechain_ASP": 52, + "a6": 116.650536564432, + "psi": 28.2449511972882, + "oldID": "62", + "bg": 140.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2101377082113, + "protein": "1TWF", + "zeta": 34.3046870041597, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 795, + "next": 794, "sidechain_SER": null, - "bm": 14.0, + "bm": 139.0, "xpr": false, - "prev": 790, + "prev": 792, "terminal_flag": false, - "phi": -68.6551124556695, + "phi": 59.4323476110787, "chainID": "A", "sidechain_GLN": null, - "ome": -175.353753295289, - "chi2": 166.255855619893, + "ome": -179.702378519529, + "chi2": -61.7131719103565, "chi3": null, - "chi1": -65.598786816696, + "chi1": -67.2920464215658, "chi4": null, "chi5": null, - "a1": 120.473897133615, - "L4": 1.51065560658146, - "L5": 1.22537353129545, - "L2": 1.45240266997713, - "L3": 1.53068311876013, - "a7": 122.636030919016, - "L1": 1.32693643575577, + "a1": 122.577719795427, + "L4": 1.52931714668818, + "L5": 1.23134401009916, + "L2": 1.46745148718807, + "L3": 1.53637172943391, + "a7": 122.968914919293, + "L1": 1.33228325480088, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.318671914021, - "bs": 15.0, - "a2": 110.420045265249, - "a5": 120.286045116233, - "sidechain_LEU": 67, - "chainIndex": 252, + "ss": "T", + "a3": 113.448606909828, + "bs": 139.0, + "a2": 110.671126789341, + "a5": 120.380090804234, + "sidechain_LEU": null, + "chainIndex": 61, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.439759554741 + "a4": 108.94458562395 } }, { "pk": 794, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.274379330521, - "psi": -39.9747609061776, - "oldID": "25", - "bg": 77.82, + "a6": 116.985686105312, + "psi": 26.6149521069099, + "oldID": "63", + "bg": 141.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.11259627419, + "zeta": 34.9981004763042, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 796, + "next": 795, "sidechain_SER": null, - "bm": 70.0, + "bm": 140.0, "xpr": false, - "prev": 792, + "prev": 793, "terminal_flag": false, - "phi": -60.918648864881, + "phi": 56.044279505601, "chainID": "A", "sidechain_GLN": null, - "ome": -179.497188325756, - "chi2": 73.1116949309162, - "chi3": 51.4783399895273, - "chi1": -62.1249514139813, - "chi4": null, - "chi5": null, - "a1": 121.732631642659, - "L4": 1.52779695738688, - "L5": 1.22978665458676, - "L2": 1.4566760118664, - "L3": 1.53357820301846, - "a7": 122.578337578675, - "L1": 1.33201477493969, - "sidechain_ARG": null, + "ome": 179.9333330464, + "chi2": -177.70494620995, + "chi3": -172.734482560907, + "chi1": -56.3589218862188, + "chi4": 179.946405786586, + "chi5": 0.130450486445165, + "a1": 121.890967159405, + "L4": 1.52309796510812, + "L5": 1.23003910354001, + "L2": 1.45881665635761, + "L3": 1.52963721444537, + "a7": 122.630621645252, + "L1": 1.32979248518357, + "sidechain_ARG": 40, "sidechain_TYR": null, - "sidechain_GLU": 66, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.852794298808, - "bs": 77.0, - "a2": 110.552212827067, - "a5": 121.147177526683, + "ss": "T", + "a3": 110.879151732127, + "bs": 142.0, + "a2": 110.761609999254, + "a5": 120.381098299033, "sidechain_LEU": null, - "chainIndex": 24, + "chainIndex": 62, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.058599203725 + "a4": 108.687327734737 } }, { "pk": 795, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 26, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.615755248248, - "psi": -34.199034157169, - "oldID": "254", - "bg": 22.14, + "a6": 115.348704389352, + "psi": 114.701104181299, + "oldID": "64", + "bg": 142.29, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.3953638655282, + "protein": "1TWF", + "zeta": 33.9560279103913, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 797, + "next": 796, "sidechain_SER": null, - "bm": 16.0, + "bm": 141.0, "xpr": false, - "prev": 793, + "prev": 794, "terminal_flag": false, - "phi": -71.4787146343406, + "phi": -98.2921490401988, "chainID": "A", "sidechain_GLN": null, - "ome": 179.635269974618, - "chi2": -173.137898859564, - "chi3": -14.3246373468159, - "chi1": -63.5844747521417, + "ome": -179.774791683998, + "chi2": -54.4441871463694, + "chi3": null, + "chi1": -67.4874084781357, "chi4": null, "chi5": null, - "a1": 119.462720834995, - "L4": 1.52391000813408, - "L5": 1.23714088169354, - "L2": 1.46442661427421, - "L3": 1.52671329163466, - "a7": 122.804825311686, - "L1": 1.32505220251441, + "a1": 120.999074178012, + "L4": 1.52686163694741, + "L5": 1.23172965966651, + "L2": 1.46032794030764, + "L3": 1.53350175182999, + "a7": 123.322251654719, + "L1": 1.32925569803458, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 67, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.516792132569, - "bs": 22.0, - "a2": 110.463575207069, - "a5": 120.577004879662, + "ss": "-", + "a3": 112.064568647021, + "bs": 142.0, + "a2": 110.614840608256, + "a5": 121.32868408811, "sidechain_LEU": null, - "chainIndex": 253, + "chainIndex": 63, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.494721798046 + "a4": 109.960131279769 } }, { "pk": 796, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.659677240889, - "psi": -44.7184633228031, - "oldID": "26", - "bg": 68.0, + "a6": 116.273180289534, + "psi": -13.88908426732, + "oldID": "65", + "bg": 143.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9948230851145, + "zeta": 34.8308080974214, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 798, + "next": 797, "sidechain_SER": null, - "bm": 67.0, + "bm": 144.0, "xpr": false, - "prev": 794, + "prev": 795, "terminal_flag": false, - "phi": -70.4623444316794, + "phi": -62.7944254777701, "chainID": "A", "sidechain_GLN": null, - "ome": -179.905729549328, - "chi2": 167.24402932594, - "chi3": 47.5472191720442, - "chi1": 173.303581656994, + "ome": 179.765260987426, + "chi2": 167.099331207431, + "chi3": null, + "chi1": -52.3072995385212, "chi4": null, "chi5": null, - "a1": 120.791035005744, - "L4": 1.51846589085353, - "L5": 1.22502731636681, - "L2": 1.45100415336138, - "L3": 1.52801757885373, - "a7": 122.183964591793, - "L1": 1.32730376705756, + "a1": 122.931312638103, + "L4": 1.53156462855039, + "L5": 1.23411172006903, + "L2": 1.45793887427094, + "L3": 1.53588168717845, + "a7": 123.045206157435, + "L1": 1.33015430462894, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 68, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.992709218506, - "bs": 68.0, - "a2": 110.460457899526, - "a5": 120.155957746862, - "sidechain_LEU": null, - "chainIndex": 25, + "ss": "-", + "a3": 111.280769266674, + "bs": 143.0, + "a2": 109.472433512042, + "a5": 120.681316751582, + "sidechain_LEU": 63, + "chainIndex": 64, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.7940223141 + "a4": 110.149240498988 } }, { @@ -111392,1419 +99288,1419 @@ "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.587200320112, - "psi": 3.30476813090558, - "oldID": "255", - "bg": 21.97, + "a6": 116.085134665297, + "psi": 128.635362038028, + "oldID": "66", + "bg": 146.15, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9603497194309, + "protein": "1TWF", + "zeta": 34.3920545361493, "sidechain_PHE": null, - "sidechain_LYS": 43, + "sidechain_LYS": 41, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 799, + "next": 798, "sidechain_SER": null, - "bm": 18.0, + "bm": 146.0, "xpr": false, - "prev": 795, + "prev": 796, "terminal_flag": false, - "phi": -90.5777609605646, + "phi": -66.0280139128305, "chainID": "A", "sidechain_GLN": null, - "ome": -179.388145554756, - "chi2": -58.0563972918035, - "chi3": -163.183665326621, - "chi1": -51.4557599313371, - "chi4": 167.404382714731, + "ome": -179.435898022915, + "chi2": -160.140572716597, + "chi3": 170.838182580695, + "chi1": -92.3448150427637, + "chi4": -174.722518622717, "chi5": null, - "a1": 119.755930691343, - "L4": 1.51708912389113, - "L5": 1.22962666833279, - "L2": 1.45608779217731, - "L3": 1.52299364812364, - "a7": 123.561842243602, - "L1": 1.31808753381783, + "a1": 121.917923002601, + "L4": 1.52362874997889, + "L5": 1.23210769318886, + "L2": 1.46192893223042, + "L3": 1.53410818907728, + "a7": 123.010396425698, + "L1": 1.3323576732915, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.582066483724, - "bs": 22.0, - "a2": 111.242275389335, - "a5": 119.847464024658, + "ss": "-", + "a3": 111.644696470576, + "bs": 146.0, + "a2": 110.86934094555, + "a5": 120.903277052281, "sidechain_LEU": null, - "chainIndex": 254, + "chainIndex": 65, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.307887577216 + "a4": 109.242751314708 } }, { "pk": 798, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.576982794482, - "psi": -22.9628887285328, - "oldID": "27", - "bg": 67.42, - "sidechain_CYS": null, + "a6": 115.927692679793, + "psi": 69.2027416829157, + "oldID": "67", + "bg": 147.81, + "sidechain_CYS": 19, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5410325922872, + "zeta": 35.1977634975862, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 64, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 800, + "next": 799, "sidechain_SER": null, - "bm": 68.0, + "bm": 148.0, "xpr": false, - "prev": 796, + "prev": 797, "terminal_flag": false, - "phi": -57.1499887050312, + "phi": -175.597342805911, "chainID": "A", "sidechain_GLN": null, - "ome": 179.072899401369, + "ome": -179.809826612732, "chi2": null, "chi3": null, - "chi1": -176.766604562954, + "chi1": -174.082716402142, "chi4": null, "chi5": null, - "a1": 119.812365814441, - "L4": 1.52567548163071, - "L5": 1.23823298913562, - "L2": 1.45547863795886, - "L3": 1.52586869217315, - "a7": 123.596524791218, - "L1": 1.32479989553718, + "a1": 121.323062414043, + "L4": 1.52383683443114, + "L5": 1.23061034934506, + "L2": 1.45239825076982, + "L3": 1.52947785718709, + "a7": 123.208654225654, + "L1": 1.3277075114738, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.807640615773, - "bs": 68.0, - "a2": 111.291867804157, - "a5": 120.826347380336, + "ss": "S", + "a3": 109.51516620676, + "bs": 148.0, + "a2": 109.476252340562, + "a5": 120.863063822506, "sidechain_LEU": null, - "chainIndex": 26, + "chainIndex": 66, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.787118734238 + "a4": 110.118372305801 } }, { "pk": 799, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.812870505669, - "psi": 50.2208968201783, - "oldID": "256", - "bg": 22.6, + "a6": 116.120626786581, + "psi": 46.6492199706577, + "oldID": "68", + "bg": 151.97, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.1383982883927, + "protein": "1TWF", + "zeta": 34.2557186301297, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 802, + "next": 800, "sidechain_SER": null, - "bm": 17.0, + "bm": 151.0, "xpr": false, - "prev": 797, + "prev": 798, "terminal_flag": false, - "phi": 53.8570176080795, + "phi": 63.1867626066834, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.196754197161, - "chi2": -169.042628514827, - "chi3": -56.4843719987367, - "chi1": -51.626033656201, + "sidechain_GLN": 35, + "ome": 179.757607384894, + "chi2": -169.348211138279, + "chi3": 60.8558585972045, + "chi1": -73.686741112636, "chi4": null, "chi5": null, - "a1": 121.854654937204, - "L4": 1.53963428748516, - "L5": 1.2368007926318, - "L2": 1.45709096843211, - "L3": 1.53241013524831, - "a7": 122.567848779811, - "L1": 1.33357680421643, + "a1": 122.314083422325, + "L4": 1.5242503221048, + "L5": 1.23282210693643, + "L2": 1.46056653204243, + "L3": 1.52991530900327, + "a7": 123.226279692068, + "L1": 1.32885812451124, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 69, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.871596018309, - "bs": 24.0, - "a2": 110.125895786513, - "a5": 121.615989721392, + "ss": "S", + "a3": 112.956008593202, + "bs": 152.0, + "a2": 110.624321603103, + "a5": 120.653013366118, "sidechain_LEU": null, - "chainIndex": 255, + "chainIndex": 67, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.947201749684 + "a4": 109.217747993644 } }, { "pk": 800, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.399561493381, - "psi": -44.5061390363799, - "oldID": "28", - "bg": 77.91, + "a6": 116.546576111647, + "psi": 62.0901455623902, + "oldID": "69", + "bg": 152.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9113527915712, + "zeta": 34.6143910650355, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 38, "sidechain_TRP": null, "next": 801, "sidechain_SER": null, - "bm": 72.0, + "bm": 152.0, "xpr": false, - "prev": 798, + "prev": 799, "terminal_flag": false, - "phi": -87.2349256686408, + "phi": 47.6079327641755, "chainID": "A", "sidechain_GLN": null, - "ome": -179.244178966869, - "chi2": -143.303380002748, - "chi3": -148.409021316588, - "chi1": -59.4895890714025, - "chi4": 72.3788427686095, - "chi5": 0.497912688920818, - "a1": 122.38167612525, - "L4": 1.52296971600372, - "L5": 1.22939972885163, - "L2": 1.4548036236887, - "L3": 1.53361192999442, - "a7": 122.911564364589, - "L1": 1.33110414507256, - "sidechain_ARG": 40, + "ome": 179.24657255122, + "chi2": null, + "chi3": null, + "chi1": -52.2059411260556, + "chi4": null, + "chi5": null, + "a1": 122.370675747281, + "L4": 1.53298577879353, + "L5": 1.23573404265607, + "L2": 1.46252195428679, + "L3": 1.55401997089979, + "a7": 122.918701859761, + "L1": 1.33064043283283, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.4906092441, - "bs": 77.0, - "a2": 110.791120191198, - "a5": 120.680159864982, + "ss": "S", + "a3": 112.29741238112, + "bs": 152.0, + "a2": 110.917608827041, + "a5": 120.532920459248, "sidechain_LEU": null, - "chainIndex": 27, + "chainIndex": 68, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.257092580269 + "a4": 108.846593050935 } }, { "pk": 801, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.186707152075, - "psi": -10.5620224981114, - "oldID": "29", - "bg": 0.0, - "sidechain_CYS": null, + "a6": 116.16542109395, + "psi": -13.392505372572, + "oldID": "70", + "bg": 150.41, + "sidechain_CYS": 20, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1516084402964, + "zeta": 34.1472120942404, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 803, + "next": 802, "sidechain_SER": null, - "bm": 78.0, + "bm": 150.0, "xpr": false, "prev": 800, "terminal_flag": false, - "phi": -64.0897336375317, + "phi": -138.870879982458, "chainID": "A", "sidechain_GLN": null, - "ome": -179.09953636928, + "ome": 179.542841279844, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 73.6756592789937, "chi4": null, "chi5": null, - "a1": 121.605382447107, - "L4": 1.52779425756809, - "L5": 1.23381595308754, - "L2": 1.4579976169923, - "L3": 1.52729452074821, - "a7": 122.570627899207, - "L1": 1.32816803161165, + "a1": 121.949999911785, + "L4": 1.53269375367317, + "L5": 1.23403337732253, + "L2": 1.46392281587377, + "L3": 1.53521010040177, + "a7": 123.067986079059, + "L1": 1.33341469111065, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.600138691054, - "bs": 78.0, - "a2": 109.765094055182, - "a5": 120.242061660802, + "ss": "-", + "a3": 110.7139835691, + "bs": 150.0, + "a2": 110.752761326465, + "a5": 120.765864358338, "sidechain_LEU": null, - "chainIndex": 28, + "chainIndex": 69, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.644193137879 + "a4": 109.948941827319 } }, { "pk": 802, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.831137303143, - "psi": 1.61001155620447, - "oldID": "257", - "bg": 15.95, + "a6": 115.698282685451, + "psi": -129.513107226029, + "oldID": "71", + "bg": 149.82, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7325519982885, + "protein": "1TWF", + "zeta": 34.4986442107382, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 804, + "next": 803, "sidechain_SER": null, - "bm": 15.0, + "bm": 148.0, "xpr": false, - "prev": 799, + "prev": 801, "terminal_flag": false, - "phi": -96.7007834942901, + "phi": 62.3615555866805, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.825369027535, - "chi2": 172.11006906528, - "chi3": null, - "chi1": -63.4245592386496, + "sidechain_GLN": 36, + "ome": -179.975549193516, + "chi2": 63.8313026066822, + "chi3": 74.42278353058, + "chi1": -67.0335078801211, "chi4": null, "chi5": null, - "a1": 121.241525419687, - "L4": 1.5194464795959, - "L5": 1.21241879250995, - "L2": 1.44572476371698, - "L3": 1.52052878564642, - "a7": 123.006223044127, - "L1": 1.3290002382634, + "a1": 122.457933296651, + "L4": 1.52413916169761, + "L5": 1.23042010305641, + "L2": 1.45914618166669, + "L3": 1.53265132685975, + "a7": 123.564197118799, + "L1": 1.33141453845862, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.486842778472, - "bs": 15.0, - "a2": 110.516759911911, - "a5": 121.09868232555, - "sidechain_LEU": 68, - "chainIndex": 256, + "a3": 112.835275702261, + "bs": 150.0, + "a2": 110.059847002452, + "a5": 120.736525808779, + "sidechain_LEU": null, + "chainIndex": 70, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.872128810617 + "a4": 109.536222375546 } }, { "pk": 803, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.005727404664, - "psi": 2.97179924836216, - "oldID": "30", - "bg": 81.39, + "a6": 115.524524982092, + "psi": 161.084398086214, + "oldID": "72", + "bg": 148.65, "sidechain_CYS": null, - "sidechain_ILE": 42, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.581753764218, + "zeta": 33.8419668404832, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 805, + "next": 804, "sidechain_SER": null, - "bm": 82.0, + "bm": 145.0, "xpr": false, - "prev": 801, + "prev": 802, "terminal_flag": false, - "phi": -122.85724472178, + "phi": 58.043166148158, "chainID": "A", "sidechain_GLN": null, - "ome": -179.610974486789, - "chi2": 109.233664188093, - "chi3": null, - "chi1": 60.6802999706382, + "ome": -179.072289348963, + "chi2": 162.564291404222, + "chi3": -56.7787393351778, + "chi1": -63.0466868171925, "chi4": null, "chi5": null, - "a1": 120.611762770785, - "L4": 1.52278186657192, - "L5": 1.22758750504878, - "L2": 1.46053908961217, - "L3": 1.5493117179997, - "a7": 122.491042564914, - "L1": 1.33028508253919, + "a1": 122.901378267834, + "L4": 1.52349876888137, + "L5": 1.23546392218773, + "L2": 1.45877598509713, + "L3": 1.53192775301187, + "a7": 123.270822560739, + "L1": 1.33080814894222, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 69, "omep": null, - "ss": "T", - "a3": 113.467741206118, - "bs": 81.0, - "a2": 111.128088139456, - "a5": 120.501283719085, + "ss": "-", + "a3": 113.290986112219, + "bs": 149.0, + "a2": 109.724834140017, + "a5": 121.203969633153, "sidechain_LEU": null, - "chainIndex": 29, + "chainIndex": 71, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.313204678663 + "a4": 110.610429437278 } }, { "pk": 804, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.375989356168, - "psi": 161.044782291332, - "oldID": "258", - "bg": 16.84, + "a6": 115.250421702651, + "psi": 174.39862588093, + "oldID": "73", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1892579699354, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 806, + "next": 805, "sidechain_SER": null, - "bm": 14.0, + "bm": 139.0, "xpr": false, - "prev": 802, + "prev": 803, "terminal_flag": false, - "phi": -77.6389066298221, + "phi": -91.8297495463604, "chainID": "A", "sidechain_GLN": null, - "ome": -178.977427114965, - "chi2": 85.3254365596787, + "ome": -179.661383878279, + "chi2": null, "chi3": null, - "chi1": 57.2114729242259, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.278462882172, - "L4": 1.5398111311902, - "L5": 1.22512683178416, - "L2": 1.44756440571707, - "L3": 1.53573682502404, - "a7": 122.668159411557, - "L1": 1.32343902460172, + "a1": 120.614340290957, + "L4": 1.51183923815366, + "L5": 1.22979771216465, + "L2": 1.449434421372, + "L3": null, + "a7": 123.224813603399, + "L1": 1.32930007178982, "sidechain_ARG": null, - "sidechain_TYR": 26, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.577625430871, - "bs": 17.0, - "a2": 109.178122603912, - "a5": 120.903410778825, + "ss": "-", + "a3": 115.010917418068, + "bs": 0.0, + "a2": null, + "a5": 121.524676458217, "sidechain_LEU": null, - "chainIndex": 257, + "chainIndex": 72, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.89889315032 + "a4": null } }, { "pk": 805, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.190613384871, - "psi": -175.527071976816, - "oldID": "31", - "bg": 89.62, + "a6": 116.977381482061, + "psi": 10.4424794697057, + "oldID": "74", + "bg": 135.9, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7005634348957, + "zeta": 35.0088193653404, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 20, "sidechain_THR": null, "sidechain_TRP": null, - "next": 807, - "sidechain_SER": 39, - "bm": 88.0, + "next": 806, + "sidechain_SER": null, + "bm": 134.0, "xpr": false, - "prev": 803, + "prev": 804, "terminal_flag": false, - "phi": -79.160992773302, + "phi": -67.4563171708536, "chainID": "A", "sidechain_GLN": null, - "ome": 179.373202113001, - "chi2": null, - "chi3": null, - "chi1": 63.1816989674744, + "ome": -179.935589431394, + "chi2": 170.030058111614, + "chi3": -83.50345773434, + "chi1": -55.891268688334, "chi4": null, "chi5": null, - "a1": 120.731363098675, - "L4": 1.52018131515954, - "L5": 1.23066938017375, - "L2": 1.4579439306409, - "L3": 1.52957355127229, - "a7": 122.737466492802, - "L1": 1.32627193180553, + "a1": 122.011614845984, + "L4": 1.52429623075229, + "L5": 1.2291925491225, + "L2": 1.45390240887813, + "L3": 1.53049532780323, + "a7": 122.727925838069, + "L1": 1.32662798695266, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.968865959711, - "bs": 89.0, - "a2": 110.398090017993, - "a5": 121.071680173443, + "ss": "T", + "a3": 111.394400637058, + "bs": 136.0, + "a2": 110.000445813368, + "a5": 120.294209283547, "sidechain_LEU": null, - "chainIndex": 30, + "chainIndex": 73, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.481895726197 + "a4": 109.332568820251 } }, { "pk": 806, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 27, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.740926621457, - "psi": 95.9193389038567, - "oldID": "259", - "bg": 16.16, + "a6": 116.37989200982, + "psi": -16.2424771474897, + "oldID": "75", + "bg": 130.67, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5312171062382, - "sidechain_PHE": 28, + "protein": "1TWF", + "zeta": 34.3032444136522, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 809, + "next": 807, "sidechain_SER": null, - "bm": 14.0, + "bm": 128.0, "xpr": false, - "prev": 804, + "prev": 805, "terminal_flag": false, - "phi": -98.8006319432421, + "phi": -132.578879248544, "chainID": "A", "sidechain_GLN": null, - "ome": -170.745578188716, - "chi2": 4.15450144378947, + "ome": 179.244154766731, + "chi2": -60.7889746761222, "chi3": null, - "chi1": 175.874159393771, + "chi1": -61.0343980136722, "chi4": null, "chi5": null, - "a1": 122.9241116606, - "L4": 1.51621313801169, - "L5": 1.23259790072411, - "L2": 1.45701089407887, - "L3": 1.51897965954085, - "a7": 124.021889275259, - "L1": 1.31563736847845, + "a1": 121.198867181238, + "L4": 1.52461720655641, + "L5": 1.23219871092746, + "L2": 1.46217976535182, + "L3": 1.53116074983054, + "a7": 122.938610575419, + "L1": 1.33081588358082, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.334231146451, - "bs": 18.0, - "a2": 107.897911376787, - "a5": 121.230191003253, + "ss": "T", + "a3": 112.541149210618, + "bs": 130.0, + "a2": 110.27764473237, + "a5": 120.68051029011, "sidechain_LEU": null, - "chainIndex": 258, + "chainIndex": 74, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.402926152481 + "a4": 109.641061267817 } }, { "pk": 807, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.691302624103, - "psi": -48.6280006659559, - "oldID": "32", - "bg": 92.43, + "a6": 116.552621134024, + "psi": 23.711907364964, + "oldID": "76", + "bg": 121.21, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5068256861955, + "zeta": 34.5354095305129, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 65, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 808, "sidechain_SER": null, - "bm": 94.0, + "bm": 120.0, "xpr": false, - "prev": 805, + "prev": 806, "terminal_flag": false, - "phi": -135.50233672715, + "phi": -113.3254025119, "chainID": "A", "sidechain_GLN": null, - "ome": 179.862105915694, - "chi2": null, - "chi3": null, - "chi1": -68.5925690468093, + "ome": 179.9896284012, + "chi2": 75.1401398010809, + "chi3": 50.6333914902542, + "chi1": -45.6513471672741, "chi4": null, "chi5": null, - "a1": 120.789249948706, - "L4": 1.51596164600628, - "L5": 1.23291279987988, - "L2": 1.45239391520741, - "L3": 1.53671868066306, - "a7": 123.555280565772, - "L1": 1.32441261606452, + "a1": 121.450104606633, + "L4": 1.5312980885517, + "L5": 1.22998453374338, + "L2": 1.4575383430384, + "L3": 1.53437768957288, + "a7": 122.835844319737, + "L1": 1.33029046596048, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 70, "omep": null, - "ss": "-", - "a3": 109.672643869461, - "bs": 92.0, - "a2": 111.087645139188, - "a5": 120.747916770495, + "ss": "S", + "a3": 110.209332089583, + "bs": 121.0, + "a2": 110.920436141231, + "a5": 120.611509280758, "sidechain_LEU": null, - "chainIndex": 31, + "chainIndex": 75, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.59642674654 + "a4": 109.410722191292 } }, { "pk": 808, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.346653709194, - "psi": -153.722289838425, - "oldID": "33", - "bg": 0.0, - "sidechain_CYS": null, + "a6": 116.758254010256, + "psi": 124.780630305224, + "oldID": "77", + "bg": 110.54, + "sidechain_CYS": 21, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.650783251144, + "zeta": 34.6191849837347, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 810, + "next": 809, "sidechain_SER": null, - "bm": 100.0, + "bm": 111.0, "xpr": false, "prev": 807, "terminal_flag": false, - "phi": -100.828629706625, + "phi": -115.561711118103, "chainID": "A", "sidechain_GLN": null, - "ome": 179.980853663072, + "ome": 179.558914509514, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 164.70910367239, "chi4": null, "chi5": null, - "a1": 122.36600897446, - "L4": 1.52709865270943, - "L5": 1.23104494158242, - "L2": 1.45359435477128, - "L3": 1.51900211796774, - "a7": 123.119793433362, - "L1": 1.32823010278145, + "a1": 122.184176490216, + "L4": 1.52667219301494, + "L5": 1.23399746092194, + "L2": 1.46278610338866, + "L3": 1.53099426170813, + "a7": 122.024316348117, + "L1": 1.33269445852283, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.55942960803, - "bs": 99.0, - "a2": 109.720201231164, - "a5": 120.533368985611, + "a3": 114.579672925935, + "bs": 111.0, + "a2": 110.49217279444, + "a5": 121.217366174531, "sidechain_LEU": null, - "chainIndex": 32, + "chainIndex": 76, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.220191437374 + "a4": 108.314190008306 } }, { "pk": 809, "model": "pgd_core.residue", "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "aa": "p", + "sidechain_PRO": 48, + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.453917477879, - "psi": -52.8899250432651, - "oldID": "260", - "bg": 19.18, + "a6": 116.597539245512, + "psi": 92.9881729744577, + "oldID": "78", + "bg": 106.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.9906214361732, + "protein": "1TWF", + "zeta": 37.7713661750364, "sidechain_PHE": null, - "sidechain_LYS": 44, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 811, + "next": 810, "sidechain_SER": null, - "bm": 16.0, + "bm": 105.0, "xpr": false, - "prev": 806, + "prev": 808, "terminal_flag": false, - "phi": -54.3643078489653, + "phi": -85.211306556754, "chainID": "A", "sidechain_GLN": null, - "ome": -179.396220368424, - "chi2": 168.667751286085, - "chi3": -162.851068723778, - "chi1": 175.460311798765, - "chi4": -138.834532287254, + "ome": -179.235634310431, + "chi2": -42.1532628436663, + "chi3": 33.3256279717795, + "chi1": 34.1250355336821, + "chi4": -11.9378166528406, "chi5": null, - "a1": 122.076679896258, - "L4": 1.52215946084103, - "L5": 1.22201058252497, - "L2": 1.4537124823144, - "L3": 1.53524308497334, - "a7": 122.40895595967, - "L1": 1.32765452182722, + "a1": 122.738577066049, + "L4": 1.53267857219145, + "L5": 1.23050326732401, + "L2": 1.46566227460479, + "L3": 1.52560177157924, + "a7": 123.049072904545, + "L1": 1.34028623729396, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.65569518119, - "bs": 20.0, - "a2": 110.878490966163, - "a5": 120.13293289097, + "omep": -13.7451176189396, + "ss": "-", + "a3": 110.114300942238, + "bs": 106.0, + "a2": 102.797236527653, + "a5": 120.351684444615, "sidechain_LEU": null, - "chainIndex": 259, + "chainIndex": 77, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.998302275751 + "a4": 112.527564819296 } }, { "pk": 810, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.342872845615, - "psi": -16.7371473048219, - "oldID": "34", - "bg": 103.28, + "a6": 116.871592106744, + "psi": 131.149063908379, + "oldID": "79", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1977977589728, + "zeta": null, "sidechain_PHE": null, - "sidechain_LYS": 45, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 812, + "next": 811, "sidechain_SER": null, - "bm": 105.0, + "bm": 99.0, "xpr": false, - "prev": 808, + "prev": 809, "terminal_flag": false, - "phi": -148.427040032901, + "phi": -29.9069469237393, "chainID": "A", "sidechain_GLN": null, - "ome": 178.923338297812, - "chi2": 134.318808945178, - "chi3": -179.962087025908, - "chi1": -179.919056296973, - "chi4": 175.742311135845, + "ome": 179.838754345301, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 121.939395188941, - "L4": 1.52899531773106, - "L5": 1.23151927454403, - "L2": 1.45894354722691, - "L3": 1.53413496698497, - "a7": 122.868801331705, - "L1": 1.33018562977775, + "a1": 121.40171489372, + "L4": 1.52066114590963, + "L5": 1.23079696766008, + "L2": 1.45694429771666, + "L3": null, + "a7": 122.60705599384, + "L1": 1.33258638838703, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.641853124441, - "bs": 102.0, - "a2": 110.132057879109, - "a5": 120.787293685728, + "a3": 116.072577427652, + "bs": 0.0, + "a2": null, + "a5": 120.521347132746, "sidechain_LEU": null, - "chainIndex": 33, + "chainIndex": 78, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.567240910719 + "a4": null } }, { "pk": 811, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 46, - "a6": 116.767405125918, - "psi": -43.8329032794128, - "oldID": "261", - "bg": 23.68, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.745347888399, + "psi": 134.570743752963, + "oldID": "80", + "bg": 95.45, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7079782014821, + "protein": "1TWF", + "zeta": 34.5687680347515, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 813, + "next": 812, "sidechain_SER": null, - "bm": 16.0, + "bm": 94.0, "xpr": false, - "prev": 809, + "prev": 810, "terminal_flag": false, - "phi": -55.960222920248, + "phi": -88.5955925378624, "chainID": "A", "sidechain_GLN": null, - "ome": -179.446791148822, - "chi2": -10.9960088176315, + "ome": -178.783253220433, + "chi2": null, "chi3": null, - "chi1": -73.8010840853479, + "chi1": -52.02669188933, "chi4": null, "chi5": null, - "a1": 120.38686859137, - "L4": 1.53047408896498, - "L5": 1.21175110787519, - "L2": 1.45927504364935, - "L3": 1.5255221771863, - "a7": 122.328650822065, - "L1": 1.3319945734399, + "a1": 121.234251759481, + "L4": 1.53108671730034, + "L5": 1.23040150417873, + "L2": 1.46326012481537, + "L3": 1.52783000623848, + "a7": 122.867481196922, + "L1": 1.33004148361894, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.357484673612, - "bs": 23.0, - "a2": 110.779068560995, - "a5": 120.891631132745, + "ss": "-", + "a3": 109.945539500757, + "bs": 95.0, + "a2": 110.06678263896, + "a5": 120.386757748744, "sidechain_LEU": null, - "chainIndex": 260, - "sidechain_HIS": null, + "chainIndex": 79, + "sidechain_HIS": 33, "h_bond_energy": 0.0, - "a4": 110.269107831239 + "a4": 110.188314557807 } }, { "pk": 812, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.050318743815, - "psi": 91.1544968531572, - "oldID": "35", - "bg": 111.62, + "a6": 114.359709960013, + "psi": 141.109610339167, + "oldID": "81", + "bg": 89.78, "sidechain_CYS": null, - "sidechain_ILE": 43, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5095539189629, - "sidechain_PHE": null, + "zeta": 33.2369031745239, + "sidechain_PHE": 35, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 814, + "next": 813, "sidechain_SER": null, - "bm": 112.0, + "bm": 89.0, "xpr": false, - "prev": 810, + "prev": 811, "terminal_flag": false, - "phi": 42.8020256095331, + "phi": -71.6255407715374, "chainID": "A", "sidechain_GLN": null, - "ome": -179.883558439602, - "chi2": 71.4657493789356, + "ome": -179.464307150783, + "chi2": 79.6286696245334, "chi3": null, - "chi1": -61.1957190039389, + "chi1": -96.6045817355162, "chi4": null, "chi5": null, - "a1": 122.050812479519, - "L4": 1.53348616308987, - "L5": 1.2327544476026, - "L2": 1.462569505602, - "L3": 1.55444061666607, - "a7": 122.912453033885, - "L1": 1.3299825334167, + "a1": 121.63808313596, + "L4": 1.52594951343373, + "L5": 1.2352255539747, + "L2": 1.46126721575052, + "L3": 1.53411195179952, + "a7": 123.82151705559, + "L1": 1.33233180794101, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 113.247594282018, - "bs": 111.0, - "a2": 110.763446768829, - "a5": 121.034120706845, + "a3": 116.865266745861, + "bs": 89.0, + "a2": 110.748483116706, + "a5": 121.808970217407, "sidechain_LEU": null, - "chainIndex": 34, + "chainIndex": 80, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.841520557474 + "a4": 109.039058718538 } }, { "pk": 813, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.017279716388, - "psi": -44.1133207085108, - "oldID": "262", - "bg": 14.78, + "a6": 115.386675172322, + "psi": -156.421573566508, + "oldID": "82", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3253403995995, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 815, + "next": 814, "sidechain_SER": null, - "bm": 14.0, + "bm": 88.0, "xpr": false, - "prev": 811, + "prev": 812, "terminal_flag": false, - "phi": -64.2436649558461, + "phi": -77.5752600708392, "chainID": "A", "sidechain_GLN": null, - "ome": -179.866446658575, - "chi2": -74.4700123747782, + "ome": -178.148711296159, + "chi2": null, "chi3": null, - "chi1": -179.994422466662, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.668538879778, - "L4": 1.54075485138792, - "L5": 1.23403231197623, - "L2": 1.45421457103829, - "L3": 1.52494048928172, - "a7": 121.743063078217, - "L1": 1.32263049729544, + "a1": 122.16165829828, + "L4": 1.51796591282973, + "L5": 1.22929485677415, + "L2": 1.44883887642733, + "L3": null, + "a7": 122.951948038978, + "L1": 1.33067205041534, "sidechain_ARG": null, - "sidechain_TYR": 27, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.120176611001, - "bs": 14.0, - "a2": 107.788999782593, - "a5": 122.226763678056, + "ss": "-", + "a3": 115.844209231269, + "bs": 0.0, + "a2": null, + "a5": 121.652931648071, "sidechain_LEU": null, - "chainIndex": 261, + "chainIndex": 81, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.547934103465 + "a4": null } }, { "pk": 814, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.393943956505, - "psi": -47.4954489097175, - "oldID": "36", - "bg": 119.49, + "a6": 117.256603628924, + "psi": 140.755413757853, + "oldID": "83", + "bg": 87.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.7399833137608, + "zeta": 35.9462851869125, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 816, + "next": 815, "sidechain_SER": null, - "bm": 120.0, + "bm": 85.0, "xpr": false, - "prev": 812, + "prev": 813, "terminal_flag": false, - "phi": -107.650557877744, + "phi": -166.077220529195, "chainID": "A", "sidechain_GLN": null, - "ome": 179.845057228921, - "chi2": 168.328588776344, - "chi3": -165.665472445882, - "chi1": -35.9611570984629, - "chi4": 174.755836723486, - "chi5": 0.0526752321146111, - "a1": 122.281775947343, - "L4": 1.52228933973614, - "L5": 1.22822045070295, - "L2": 1.45989784574283, - "L3": 1.52859086157946, - "a7": 123.341429685588, - "L1": 1.32959527426956, - "sidechain_ARG": 41, + "ome": -179.913363250764, + "chi2": null, + "chi3": null, + "chi1": 171.632590946722, + "chi4": null, + "chi5": null, + "a1": 122.504816622022, + "L4": 1.52235796755317, + "L5": 1.22985001888479, + "L2": 1.45509304294104, + "L3": 1.53056363645297, + "a7": 122.653525811839, + "L1": 1.32676154115054, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 108.930503563925, - "bs": 120.0, - "a2": 109.929125069764, - "a5": 121.262280457453, + "a3": 107.808772120776, + "bs": 87.0, + "a2": 108.135357273937, + "a5": 120.089323145025, "sidechain_LEU": null, - "chainIndex": 35, - "sidechain_HIS": null, + "chainIndex": 82, + "sidechain_HIS": 34, "h_bond_energy": 0.0, - "a4": 108.943617901522 + "a4": 110.765484868462 } }, { "pk": 815, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.255768569803, - "psi": -44.7539618959306, - "oldID": "263", - "bg": 17.07, + "a6": 116.79505610437, + "psi": 109.278483213762, + "oldID": "84", + "bg": 78.18, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8623305384096, + "sidechain_ILE": 42, + "protein": "1TWF", + "zeta": 34.4666988585024, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 66, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 817, + "next": 816, "sidechain_SER": null, - "bm": 15.0, + "bm": 78.0, "xpr": false, - "prev": 813, + "prev": 814, "terminal_flag": false, - "phi": -59.9585105697338, + "phi": -161.269929325092, "chainID": "A", "sidechain_GLN": null, - "ome": 179.303267062219, - "chi2": null, + "ome": -178.763304031811, + "chi2": 175.793257340844, "chi3": null, - "chi1": 167.862274436971, + "chi1": 171.939042635564, "chi4": null, "chi5": null, - "a1": 119.598130194966, - "L4": 1.53548554315411, - "L5": 1.22780293863584, - "L2": 1.46818343837212, - "L3": 1.51341229118971, - "a7": 122.607804013481, - "L1": 1.3225222961978, + "a1": 121.000869889371, + "L4": 1.51907724419534, + "L5": 1.22514420712322, + "L2": 1.46164688206529, + "L3": 1.54316099443235, + "a7": 122.730825564245, + "L1": 1.3280516083399, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.854537008953, - "bs": 16.0, - "a2": 109.547085409406, - "a5": 121.055733702131, + "ss": "E", + "a3": 109.933804995847, + "bs": 78.0, + "a2": 110.691147771385, + "a5": 120.471423393906, "sidechain_LEU": null, - "chainIndex": 262, + "chainIndex": 83, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.295275630692 + "a4": 109.978133168554 } }, { "pk": 816, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.194307372438, - "psi": 109.878817276804, - "oldID": "37", - "bg": 131.53, + "sidechain_ASP": 53, + "a6": 115.920579485633, + "psi": 142.578592090705, + "oldID": "85", + "bg": 77.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1933295662053, - "sidechain_PHE": 29, + "zeta": 34.2962513705216, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 818, + "next": 817, "sidechain_SER": null, - "bm": 127.0, + "bm": 74.0, "xpr": false, - "prev": 814, + "prev": 815, "terminal_flag": false, - "phi": -84.5360094635436, + "phi": -76.5484663083056, "chainID": "A", "sidechain_GLN": null, - "ome": 179.999373504645, - "chi2": -27.7352900146364, + "ome": 179.621731471306, + "chi2": -50.8335434350446, "chi3": null, - "chi1": -62.9843903187672, + "chi1": -59.9317913891978, "chi4": null, "chi5": null, - "a1": 122.451777695509, - "L4": 1.5233275889065, - "L5": 1.22992043289031, - "L2": 1.45456132080706, - "L3": 1.53005280295642, - "a7": 121.998615729087, - "L1": 1.32843211886797, + "a1": 121.125791378475, + "L4": 1.52403348013935, + "L5": 1.23182947627323, + "L2": 1.45793223005108, + "L3": 1.53056434944323, + "a7": 123.047625294031, + "L1": 1.32936908381829, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.275452982964, - "bs": 132.0, - "a2": 109.786436732041, - "a5": 120.805700003834, + "ss": "E", + "a3": 112.947325727246, + "bs": 77.0, + "a2": 110.47900580604, + "a5": 121.031673810263, "sidechain_LEU": null, - "chainIndex": 36, + "chainIndex": 84, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.598404201759 + "a4": 109.336848681122 } }, { "pk": 817, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.165626518062, - "psi": -46.9301984647896, - "oldID": "264", - "bg": 16.61, + "a6": 115.998385390324, + "psi": 135.32944426329, + "oldID": "86", + "bg": 69.31, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6181616637686, + "protein": "1TWF", + "zeta": 34.5493059184339, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 67, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 819, + "next": 818, "sidechain_SER": null, - "bm": 14.0, + "bm": 70.0, "xpr": false, - "prev": 815, + "prev": 816, "terminal_flag": false, - "phi": -63.7733093701098, + "phi": -100.52901803225, "chainID": "A", "sidechain_GLN": null, - "ome": -175.278878997905, - "chi2": null, + "ome": -179.164675577257, + "chi2": -173.302857687726, "chi3": null, - "chi1": 168.153128210192, + "chi1": -57.8462786475322, "chi4": null, "chi5": null, - "a1": 122.013964250282, - "L4": 1.54046189181452, - "L5": 1.2365498413791, - "L2": 1.45628656543568, - "L3": 1.54088466023981, - "a7": 122.464702060827, - "L1": 1.32639334850378, + "a1": 121.953587223819, + "L4": 1.52203983526505, + "L5": 1.23315798386106, + "L2": 1.45905661741337, + "L3": 1.53182767011397, + "a7": 122.985413392097, + "L1": 1.32942555357294, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.013081836765, - "bs": 16.0, - "a2": 109.608657202537, - "a5": 121.345531380497, - "sidechain_LEU": null, - "chainIndex": 263, + "ss": "E", + "a3": 110.320465768137, + "bs": 69.0, + "a2": 110.64039746785, + "a5": 121.015512805677, + "sidechain_LEU": 64, + "chainIndex": 85, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.827190014469 + "a4": 109.656287976482 } }, { "pk": 818, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 41, + "aa": "a", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.071612970094, - "psi": 44.5421037742646, - "oldID": "38", - "bg": 132.34, + "a6": 115.7760413027, + "psi": -32.3834183688741, + "oldID": "87", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.7364972247043, + "zeta": 34.582501280642, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 820, + "next": 819, "sidechain_SER": null, - "bm": 133.0, + "bm": 66.0, "xpr": false, - "prev": 816, + "prev": 817, "terminal_flag": false, - "phi": -78.0350438160454, + "phi": -63.0123615259084, "chainID": "A", "sidechain_GLN": null, - "ome": -179.330220635942, - "chi2": -44.8679259133272, - "chi3": 35.619947427192, - "chi1": 36.3013700161109, - "chi4": -12.9731367156763, + "ome": -179.296606928677, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 122.48716269869, - "L4": 1.52563641643741, - "L5": 1.22970960773778, - "L2": 1.46551897143023, - "L3": 1.52147222638411, - "a7": 123.114681440035, - "L1": 1.34092372728215, + "a1": 121.516865147523, + "L4": 1.51784871912969, + "L5": 1.22923387002974, + "L2": 1.45422851134543, + "L3": 1.50625469151635, + "a7": 123.262713383611, + "L1": 1.32693702509394, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -5.18663792760855, - "ss": "S", - "a3": 112.409971136751, - "bs": 132.0, - "a2": 102.647299505227, - "a5": 120.813477631033, + "omep": null, + "ss": "E", + "a3": 111.382738425721, + "bs": 68.0, + "a2": 109.685049892338, + "a5": 120.960491780149, "sidechain_LEU": null, - "chainIndex": 37, + "chainIndex": 86, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.265860177503 + "a4": 110.004496496164 } }, { "pk": 819, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "k", "sidechain_PRO": null, - "sidechain_ASN": 30, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.907682010105, - "psi": -37.3187271692982, - "oldID": "265", - "bg": 17.47, + "a6": 117.169352470082, + "psi": 154.684488136977, + "oldID": "88", + "bg": 71.07, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.5464285035189, + "protein": "1TWF", + "zeta": 35.9159901732139, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 42, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 822, + "next": 820, "sidechain_SER": null, - "bm": 14.0, + "bm": 64.0, "xpr": false, - "prev": 817, + "prev": 818, "terminal_flag": false, - "phi": -71.9079186840493, + "phi": -139.499148150202, "chainID": "A", "sidechain_GLN": null, - "ome": -164.811795205463, - "chi2": -16.4496608086976, - "chi3": null, - "chi1": -64.813333464446, - "chi4": null, + "ome": 179.647032866134, + "chi2": -78.0134407670719, + "chi3": -174.907466715341, + "chi1": -63.1785941514312, + "chi4": 172.022496837051, "chi5": null, - "a1": 121.995854504616, - "L4": 1.51103962490461, - "L5": 1.2153490754131, - "L2": 1.45261987614315, - "L3": 1.54103426589435, - "a7": 123.346721303913, - "L1": 1.32807790703084, + "a1": 121.877465021979, + "L4": 1.51539123184527, + "L5": 1.231367480627, + "L2": 1.45569871423153, + "L3": 1.53308643834811, + "a7": 122.455294082897, + "L1": 1.32653446388357, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 116.30834295044, - "bs": 17.0, - "a2": 109.980460629157, - "a5": 119.744485928184, + "ss": "E", + "a3": 108.570353063556, + "bs": 72.0, + "a2": 110.179788756983, + "a5": 120.3746964793, "sidechain_LEU": null, - "chainIndex": 264, + "chainIndex": 87, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.011972441741 + "a4": 108.645414317132 } }, { "pk": 820, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 49, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.015881405678, - "psi": -174.555674222677, - "oldID": "39", - "bg": 141.33, + "a6": 116.28144400892, + "psi": 151.916337300521, + "oldID": "89", + "bg": 63.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.4660725184989, + "zeta": 37.8146090864081, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -112813,1687 +100709,1687 @@ "sidechain_TRP": null, "next": 821, "sidechain_SER": null, - "bm": 141.0, + "bm": 61.0, "xpr": false, - "prev": 818, + "prev": 819, "terminal_flag": false, - "phi": -141.970005773303, + "phi": -67.0978385078839, "chainID": "A", "sidechain_GLN": null, - "ome": 179.734862658402, - "chi2": 146.822990914573, - "chi3": -52.5587346550951, - "chi1": -48.3648096895613, - "chi4": null, + "ome": -178.772393641768, + "chi2": -45.192059140978, + "chi3": 39.3145917005238, + "chi1": 32.9867002832322, + "chi4": -18.9808901270256, "chi5": null, - "a1": 122.183208713824, - "L4": 1.52884935252755, - "L5": 1.22854684740429, - "L2": 1.45828212653163, - "L3": 1.52863255191036, - "a7": 122.495217815749, - "L1": 1.32880741954444, + "a1": 121.230068375677, + "L4": 1.52295386953075, + "L5": 1.22794712791575, + "L2": 1.46176694090592, + "L3": 1.52155699259605, + "a7": 122.88903753089, + "L1": 1.34470705037135, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 70, - "omep": null, - "ss": "-", - "a3": 109.561795748708, - "bs": 141.0, - "a2": 109.205449715893, - "a5": 120.487939834655, + "sidechain_GLU": null, + "omep": 1.56353052410127, + "ss": "E", + "a3": 109.334712677163, + "bs": 62.0, + "a2": 102.903861113896, + "a5": 120.826649348453, "sidechain_LEU": null, - "chainIndex": 38, + "chainIndex": 88, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.897638962749 + "a4": 112.533583912028 } }, { "pk": 821, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.416211781813, - "psi": 154.419222682396, - "oldID": "40", - "bg": 149.12, + "a6": 116.567444628108, + "psi": 128.911306267659, + "oldID": "90", + "bg": 61.4, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2385506561143, + "zeta": 35.7974825676684, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 63, "sidechain_MET": null, - "sidechain_THR": 38, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 823, + "next": 822, "sidechain_SER": null, - "bm": 149.0, + "bm": 61.0, "xpr": false, "prev": 820, "terminal_flag": false, - "phi": -154.637290552119, + "phi": -140.577526261736, "chainID": "A", "sidechain_GLN": null, - "ome": 179.085284795387, + "ome": 178.201438765078, "chi2": null, "chi3": null, - "chi1": -43.0920076468858, + "chi1": 170.972673535476, "chi4": null, "chi5": null, - "a1": 120.819102679643, - "L4": 1.52350733109271, - "L5": 1.23027999307565, - "L2": 1.46119688771484, - "L3": 1.5429167250537, - "a7": 122.91369608961, - "L1": 1.32844077334486, + "a1": 121.15703923034, + "L4": 1.5263711306265, + "L5": 1.23158553357805, + "L2": 1.45214359893985, + "L3": 1.53314533516954, + "a7": 122.866119745229, + "L1": 1.32365685949625, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.24882573409, - "bs": 149.0, - "a2": 111.47952527676, - "a5": 120.670090987309, + "ss": "E", + "a3": 112.482263323014, + "bs": 60.0, + "a2": 109.899645395853, + "a5": 120.564924266082, "sidechain_LEU": null, - "chainIndex": 39, + "chainIndex": 89, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.640196094039 + "a4": 108.037759234528 } }, { "pk": 822, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.022981864018, - "psi": -4.35160400643879, - "oldID": "266", - "bg": 14.39, + "a6": 116.545843845927, + "psi": 138.980546037128, + "oldID": "91", + "bg": 58.56, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0016630620418, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 35.5502698312881, + "sidechain_PHE": 36, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 824, + "next": 823, "sidechain_SER": null, - "bm": 14.0, + "bm": 58.0, "xpr": false, - "prev": 819, + "prev": 821, "terminal_flag": false, - "phi": -123.202360146293, + "phi": -56.9552484652346, "chainID": "A", "sidechain_GLN": null, - "ome": 176.115450391474, - "chi2": -49.6432115864876, + "ome": 177.56127864714, + "chi2": -38.6570605860931, "chi3": null, - "chi1": -53.9501275661451, + "chi1": -77.546041598941, "chi4": null, "chi5": null, - "a1": 120.17764473695, - "L4": 1.51480540900678, - "L5": 1.23958104925988, - "L2": 1.46257152556572, - "L3": 1.54491622151106, - "a7": 123.235098149556, - "L1": 1.32358899779598, + "a1": 121.042174180084, + "L4": 1.52457265014106, + "L5": 1.23489089849791, + "L2": 1.45628881627142, + "L3": 1.53801900860891, + "a7": 122.62138287438, + "L1": 1.32790601023255, "sidechain_ARG": null, - "sidechain_TYR": 28, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 116.447784182998, - "bs": 15.0, - "a2": 108.442017113031, - "a5": 119.740267107542, + "ss": "E", + "a3": 108.377985406562, + "bs": 59.0, + "a2": 111.400195882945, + "a5": 120.82463397735, "sidechain_LEU": null, - "chainIndex": 265, + "chainIndex": 90, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.717500391706 + "a4": 108.000665120264 } }, { "pk": 823, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.148024022329, - "psi": -166.001145850958, - "oldID": "41", - "bg": 157.29, + "a6": 116.78693209763, + "psi": 127.078218949114, + "oldID": "92", + "bg": 57.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8696513530861, + "zeta": 34.8720969896396, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 20, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 826, + "next": 824, "sidechain_SER": null, - "bm": 156.0, + "bm": 57.0, "xpr": false, - "prev": 821, + "prev": 822, "terminal_flag": false, - "phi": 59.0856215020543, + "phi": -85.9842003109336, "chainID": "A", "sidechain_GLN": null, - "ome": -179.801955003689, - "chi2": 162.92496717231, - "chi3": -88.7868603374638, - "chi1": -59.6974163775818, + "ome": -178.323281967528, + "chi2": null, + "chi3": null, + "chi1": 174.043758501258, "chi4": null, "chi5": null, - "a1": 121.200318151662, - "L4": 1.53140466655681, - "L5": 1.23104644911109, - "L2": 1.45914940287909, - "L3": 1.53145027373372, - "a7": 122.979519474005, - "L1": 1.33006478214806, + "a1": 120.638744807349, + "L4": 1.52162521648534, + "L5": 1.22620072319502, + "L2": 1.45288196660272, + "L3": 1.52588058750537, + "a7": 122.456154637258, + "L1": 1.32730224219478, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.569578720435, - "bs": 157.0, - "a2": 109.158570183646, - "a5": 120.872430583877, + "ss": "-", + "a3": 104.872396118869, + "bs": 57.0, + "a2": 110.310744338308, + "a5": 120.75437731991, "sidechain_LEU": null, - "chainIndex": 40, - "sidechain_HIS": null, + "chainIndex": 91, + "sidechain_HIS": 35, "h_bond_energy": 0.0, - "a4": 109.964799311043 + "a4": 110.930859165485 } }, { "pk": 824, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.018789064953, - "psi": 167.472866443635, - "oldID": "267", - "bg": 13.83, + "a6": 115.599697035158, + "psi": -54.1430510061491, + "oldID": "93", + "bg": 55.47, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1736506241145, + "protein": "1TWF", + "zeta": 34.7051177838162, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 64, "sidechain_MET": null, - "sidechain_THR": 39, + "sidechain_THR": null, "sidechain_TRP": null, "next": 825, "sidechain_SER": null, - "bm": 13.0, + "bm": 56.0, "xpr": false, - "prev": 822, + "prev": 823, "terminal_flag": false, - "phi": -119.397226120428, + "phi": -42.5952396977672, "chainID": "A", "sidechain_GLN": null, - "ome": 177.116412153574, + "ome": -179.042108726271, "chi2": null, "chi3": null, - "chi1": 76.3119308111958, + "chi1": -117.398190412515, "chi4": null, "chi5": null, - "a1": 120.440180887976, - "L4": 1.5062326209034, - "L5": 1.23808275034453, - "L2": 1.47057183908515, - "L3": 1.5425762996423, - "a7": 123.114224718729, - "L1": 1.32750774656891, + "a1": 120.711538644653, + "L4": 1.5139427482644, + "L5": 1.23176499185247, + "L2": 1.46284889457824, + "L3": 1.52422322127842, + "a7": 123.894406627949, + "L1": 1.32431025103444, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 111.504220999872, - "bs": 13.0, - "a2": 112.767183456051, - "a5": 121.860426462569, + "ss": "G", + "a3": 116.194389036899, + "bs": 56.0, + "a2": 111.907213892111, + "a5": 120.500344885607, "sidechain_LEU": null, - "chainIndex": 266, + "chainIndex": 92, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.372487822133 + "a4": 106.204420652798 } }, { "pk": 825, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "g", "sidechain_PRO": null, - "sidechain_ASN": 31, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.257169701608, - "psi": 24.2845331768555, - "oldID": "268", - "bg": 14.1, + "a6": 118.853880141645, + "psi": -10.8799294781108, + "oldID": "94", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.1818616036109, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 827, + "next": 826, "sidechain_SER": null, - "bm": 13.0, + "bm": 55.0, "xpr": false, "prev": 824, "terminal_flag": false, - "phi": -84.9348980613196, + "phi": -62.6080941852436, "chainID": "A", "sidechain_GLN": null, - "ome": 178.440944489025, - "chi2": -15.404904045332, + "ome": -178.96047225027, + "chi2": null, "chi3": null, - "chi1": 77.2572286467126, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.364604118866, - "L4": 1.51643341042812, - "L5": 1.22270374451295, - "L2": 1.45609430964947, - "L3": 1.52912154770944, - "a7": 123.069758325609, - "L1": 1.3283399607533, + "a1": 121.031292949105, + "L4": 1.51815186502355, + "L5": 1.23158965463192, + "L2": 1.44718445399223, + "L3": null, + "a7": 122.073554049639, + "L1": 1.32986935770188, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "G", - "a3": 115.561282318647, - "bs": 13.0, - "a2": 111.855258424916, - "a5": 120.619351182486, + "a3": 117.549363158067, + "bs": 0.0, + "a2": null, + "a5": 119.070994521141, "sidechain_LEU": null, - "chainIndex": 267, + "chainIndex": 93, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.00677902545 + "a4": null } }, { "pk": 826, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 47, - "a6": 116.238409500751, - "psi": 43.7185983707903, - "oldID": "42", - "bg": 161.27, + "sidechain_ASP": null, + "a6": 117.960427979337, + "psi": 1.77271639654053, + "oldID": "95", + "bg": 50.04, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.7110582521606, - "sidechain_PHE": null, + "zeta": 32.8048031936587, + "sidechain_PHE": 37, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 828, + "next": 827, "sidechain_SER": null, - "bm": 160.0, + "bm": 55.0, "xpr": false, - "prev": 823, + "prev": 825, "terminal_flag": false, - "phi": 55.2511354973358, + "phi": -117.071848402963, "chainID": "A", "sidechain_GLN": null, - "ome": 178.24709116186, - "chi2": -1.08048567594652, + "ome": 179.303292098549, + "chi2": -78.549427042238, "chi3": null, - "chi1": -77.6875277539286, + "chi1": -61.8994605144497, "chi4": null, "chi5": null, - "a1": 122.326794036035, - "L4": 1.52335236098779, - "L5": 1.2308723468308, - "L2": 1.45905818571699, - "L3": 1.53131207286121, - "a7": 123.046565234798, - "L1": 1.33032705648327, + "a1": 119.427734382862, + "L4": 1.53144957217829, + "L5": 1.23536903066616, + "L2": 1.46104291979033, + "L3": 1.54074394072423, + "a7": 122.288360843475, + "L1": 1.3330301340015, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 114.009419881356, - "bs": 161.0, - "a2": 110.427208154208, - "a5": 120.714378743171, + "ss": "G", + "a3": 117.452679344556, + "bs": 49.0, + "a2": 110.736004263028, + "a5": 119.740234498372, "sidechain_LEU": null, - "chainIndex": 41, + "chainIndex": 94, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.819484627207 + "a4": 109.378657236835 } }, { "pk": 827, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.693255177632, - "psi": -32.8627494407236, - "oldID": "269", - "bg": 0.0, + "a6": 116.709162717739, + "psi": -37.0411700600405, + "oldID": "96", + "bg": 53.51, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9556994518477, + "sidechain_ILE": 43, + "protein": "1TWF", + "zeta": 34.014190920117, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 829, + "next": 828, "sidechain_SER": null, - "bm": 13.0, + "bm": 55.0, "xpr": false, - "prev": 825, + "prev": 826, "terminal_flag": false, - "phi": -57.1926666876515, + "phi": -50.0848179587114, "chainID": "A", "sidechain_GLN": null, - "ome": 179.493268223472, - "chi2": null, + "ome": 178.844040554605, + "chi2": 174.843123160928, "chi3": null, - "chi1": null, + "chi1": -60.3816120349844, "chi4": null, "chi5": null, - "a1": 121.936525074779, - "L4": 1.54395108200488, - "L5": 1.24187969044762, - "L2": 1.46530279427708, - "L3": 1.52919303559731, - "a7": 122.305830516254, - "L1": 1.32641404407896, + "a1": 120.636982735609, + "L4": 1.53581437279934, + "L5": 1.22980417755621, + "L2": 1.46582146331022, + "L3": 1.5411110602629, + "a7": 122.285850142565, + "L1": 1.33271878774621, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.232613126919, - "bs": 11.0, - "a2": 109.812714431211, - "a5": 121.000727802737, + "ss": "H", + "a3": 111.228148562332, + "bs": 53.0, + "a2": 111.079952730791, + "a5": 121.004417885043, "sidechain_LEU": null, - "chainIndex": 268, + "chainIndex": 95, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.215757901219 + "a4": 109.682158545436 } }, { "pk": 828, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.466701578354, - "psi": 82.4218462633189, - "oldID": "43", - "bg": 163.13, + "a6": 117.100245872727, + "psi": -48.0580158275787, + "oldID": "97", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3318617888685, + "zeta": 34.1948687180042, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 830, + "next": 829, "sidechain_SER": null, - "bm": 162.0, + "bm": 55.0, "xpr": false, - "prev": 826, + "prev": 827, "terminal_flag": false, - "phi": -72.7595191719981, + "phi": -66.3331361945514, "chainID": "A", "sidechain_GLN": null, - "ome": -177.908714908452, - "chi2": -167.423702345244, - "chi3": -61.5866390923592, - "chi1": -49.8057390468328, + "ome": 179.034257761198, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.27828524749, - "L4": 1.51721852909453, - "L5": 1.23042579409414, - "L2": 1.45714164954605, - "L3": 1.52805440074963, - "a7": 123.712532901081, - "L1": 1.32918245721915, + "a1": 120.954092904811, + "L4": 1.52990893907508, + "L5": 1.22613667877954, + "L2": 1.45451615151575, + "L3": 1.52742362462371, + "a7": 122.97352606992, + "L1": 1.32676413971165, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 71, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 104.742801548348, - "bs": 163.0, - "a2": 110.375448904524, - "a5": 120.820379970619, + "ss": "H", + "a3": 110.094163025513, + "bs": 56.0, + "a2": 110.114134751273, + "a5": 119.926087645181, "sidechain_LEU": null, - "chainIndex": 42, + "chainIndex": 96, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.175218001481 + "a4": 110.701741518594 } }, { "pk": 829, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.840858474674, - "psi": -13.8400835816524, - "oldID": "270", - "bg": 14.82, + "a6": 114.869483696715, + "psi": -48.4583501264243, + "oldID": "98", + "bg": 61.62, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0169903794303, + "protein": "1TWF", + "zeta": 35.4038540415024, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 43, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 832, - "sidechain_SER": 40, - "bm": 13.0, + "next": 830, + "sidechain_SER": null, + "bm": 54.0, "xpr": false, - "prev": 827, + "prev": 828, "terminal_flag": false, - "phi": -81.4733710560371, + "phi": -61.0441105311413, "chainID": "A", "sidechain_GLN": null, - "ome": -179.403654902052, - "chi2": null, - "chi3": null, - "chi1": 61.2921594336442, - "chi4": null, + "ome": -179.913074296268, + "chi2": -70.0500356258547, + "chi3": -172.032502715176, + "chi1": -94.5041220414201, + "chi4": -178.962161162594, "chi5": null, - "a1": 121.705293506478, - "L4": 1.53939795586747, - "L5": 1.23233445504322, - "L2": 1.46767792644078, - "L3": 1.53197882997854, - "a7": 121.948117495011, - "L1": 1.33706058432919, + "a1": 122.577043654956, + "L4": 1.53074508261348, + "L5": 1.23540037781616, + "L2": 1.47486380278249, + "L3": 1.5348037494728, + "a7": 123.705771318695, + "L1": 1.33631299876483, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 114.888264259342, - "bs": 13.0, - "a2": 110.035102453725, - "a5": 120.188688597736, + "ss": "H", + "a3": 110.745700846776, + "bs": 62.0, + "a2": 110.8387522801, + "a5": 121.420125808467, "sidechain_LEU": null, - "chainIndex": 269, + "chainIndex": 97, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.066606610085 + "a4": 107.966847638013 } }, { "pk": 830, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.450747632793, - "psi": 50.1441654844168, - "oldID": "44", - "bg": 161.7, + "a6": 116.293483908133, + "psi": -34.9372516359946, + "oldID": "99", + "bg": 54.19, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 44, "protein": "1TWF", - "zeta": 34.5843981209778, + "zeta": 34.6940660626098, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 40, + "sidechain_THR": null, "sidechain_TRP": null, "next": 831, "sidechain_SER": null, - "bm": 162.0, + "bm": 56.0, "xpr": false, - "prev": 828, + "prev": 829, "terminal_flag": false, - "phi": 72.8300077612263, + "phi": -56.8158323670248, "chainID": "A", "sidechain_GLN": null, - "ome": -179.870398495666, - "chi2": null, + "ome": 179.442905824395, + "chi2": 162.514077962393, "chi3": null, - "chi1": -48.26231571682, + "chi1": -58.4220111428331, "chi4": null, "chi5": null, - "a1": 122.617472523848, - "L4": 1.52714532180043, - "L5": 1.23129525698538, - "L2": 1.45700147635302, - "L3": 1.55404580693669, - "a7": 123.364335118244, - "L1": 1.32915325705528, + "a1": 123.74905738739, + "L4": 1.53386470193592, + "L5": 1.23504024088871, + "L2": 1.46179426709717, + "L3": 1.56152626572199, + "a7": 122.352479716247, + "L1": 1.33198950578571, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 105.663511614794, - "bs": 162.0, - "a2": 111.919200917201, - "a5": 121.175823201736, + "ss": "H", + "a3": 110.367208642438, + "bs": 53.0, + "a2": 110.722052245186, + "a5": 121.352961220298, "sidechain_LEU": null, - "chainIndex": 43, + "chainIndex": 98, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.880038295518 + "a4": 109.617925916914 } }, { "pk": 831, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.308958015269, - "psi": -3.21251396934455, - "oldID": "45", - "bg": 162.32, + "a6": 116.376197119283, + "psi": -57.2144866267679, + "oldID": "100", + "bg": 61.01, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8054342771266, + "zeta": 34.3720216467778, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 44, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 835, + "next": 832, "sidechain_SER": null, - "bm": 161.0, + "bm": 60.0, "xpr": false, "prev": 830, "terminal_flag": false, - "phi": 74.6163394490284, + "phi": -67.2733485571685, "chainID": "A", - "sidechain_GLN": 34, - "ome": -179.538856142218, - "chi2": 148.736085621275, - "chi3": 53.5754827514397, - "chi1": -57.1694209531904, - "chi4": null, + "sidechain_GLN": null, + "ome": 179.556396264947, + "chi2": 170.028076032681, + "chi3": 169.926071849265, + "chi1": 179.255282131047, + "chi4": -178.016773556889, "chi5": null, - "a1": 122.585489630539, - "L4": 1.52430967941268, - "L5": 1.22964741284747, - "L2": 1.4601862274754, - "L3": 1.53135096265141, - "a7": 123.163449119251, - "L1": 1.33341365589378, + "a1": 120.725652061483, + "L4": 1.52982033306863, + "L5": 1.23672501930698, + "L2": 1.45203926679298, + "L3": 1.5285138632478, + "a7": 122.848683337622, + "L1": 1.3264777013776, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.223576002616, - "bs": 162.0, - "a2": 110.339341675919, - "a5": 120.527073130704, + "ss": "H", + "a3": 109.936800342864, + "bs": 63.0, + "a2": 109.904984544545, + "a5": 120.768209104252, "sidechain_LEU": null, - "chainIndex": 44, + "chainIndex": 99, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.298349210902 + "a4": 110.73332289351 } }, { "pk": 832, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.690525851378, - "psi": 138.786473564316, - "oldID": "271", - "bg": 13.68, + "a6": 117.192183165638, + "psi": -48.6709761794195, + "oldID": "101", + "bg": 66.96, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.2468015179317, - "sidechain_PHE": 30, - "sidechain_LYS": null, + "protein": "1TWF", + "zeta": 34.281542379897, + "sidechain_PHE": null, + "sidechain_LYS": 45, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 833, "sidechain_SER": null, - "bm": 14.0, + "bm": 61.0, "xpr": false, - "prev": 829, + "prev": 831, "terminal_flag": false, - "phi": -57.8824555051714, + "phi": -56.3400840955342, "chainID": "A", "sidechain_GLN": null, - "ome": 176.478671742334, - "chi2": 30.5703669155131, - "chi3": null, - "chi1": -75.5712874865594, - "chi4": null, + "ome": 179.332625393209, + "chi2": -179.915761673133, + "chi3": 172.115224017365, + "chi1": -74.7235145963908, + "chi4": -179.96139997987, "chi5": null, - "a1": 120.706036096078, - "L4": 1.50784269947273, - "L5": 1.23013055507991, - "L2": 1.4635029863411, - "L3": 1.53074423620978, - "a7": 123.404786898917, - "L1": 1.32337067001947, + "a1": 121.494613205687, + "L4": 1.53044949438178, + "L5": 1.23649224177008, + "L2": 1.45745085745857, + "L3": 1.52892255688134, + "a7": 123.154199379425, + "L1": 1.32899493940215, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 112.059884516476, - "bs": 14.0, - "a2": 110.259437503826, - "a5": 119.901534141563, + "ss": "H", + "a3": 113.058009544331, + "bs": 68.0, + "a2": 110.14278137242, + "a5": 119.651810694573, "sidechain_LEU": null, - "chainIndex": 270, + "chainIndex": 100, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.157335285979 + "a4": 109.611905875155 } }, { "pk": 833, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.188384900252, - "psi": 123.413736764088, - "oldID": "272", - "bg": 14.82, + "a6": 116.444550200126, + "psi": -45.7553664355474, + "oldID": "102", + "bg": 56.52, "sidechain_CYS": null, - "sidechain_ILE": 44, - "protein": "1H0H", - "zeta": 35.347157093363, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 33.9914040491935, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 65, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 834, "sidechain_SER": null, - "bm": 14.0, + "bm": 57.0, "xpr": false, "prev": 832, "terminal_flag": false, - "phi": -91.738195246102, + "phi": -52.5031783746177, "chainID": "A", "sidechain_GLN": null, - "ome": 177.159197312796, - "chi2": -50.6665785358813, + "ome": 178.6653397136, + "chi2": null, "chi3": null, - "chi1": -54.3091408458707, + "chi1": 165.43163359295, "chi4": null, "chi5": null, - "a1": 121.872746869352, - "L4": 1.50694285144747, - "L5": 1.23078736536443, - "L2": 1.43628830685551, - "L3": 1.53539786442591, - "a7": 123.52349881872, - "L1": 1.33619156600031, + "a1": 122.079174434562, + "L4": 1.52616276380501, + "L5": 1.22654886373041, + "L2": 1.47564992606258, + "L3": 1.58053112218053, + "a7": 122.949302125694, + "L1": 1.34073871495931, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 105.981310659104, - "bs": 14.0, - "a2": 112.093074707676, - "a5": 121.278047970517, + "ss": "H", + "a3": 108.781231483054, + "bs": 57.0, + "a2": 112.739356332288, + "a5": 120.60491105498, "sidechain_LEU": null, - "chainIndex": 271, + "chainIndex": 101, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.435914725552 + "a4": 109.252104834958 } }, { "pk": 834, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.577168726997, - "psi": 141.995299427877, - "oldID": "273", - "bg": 17.18, - "sidechain_CYS": null, + "a6": 117.225346674995, + "psi": -36.3431169281592, + "oldID": "103", + "bg": 52.06, + "sidechain_CYS": 22, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5675194993483, + "protein": "1TWF", + "zeta": 34.5310111993177, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 68, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 836, + "next": 835, "sidechain_SER": null, - "bm": 15.0, + "bm": 56.0, "xpr": false, "prev": 833, "terminal_flag": false, - "phi": -87.4277945357717, + "phi": -58.5794656733236, "chainID": "A", "sidechain_GLN": null, - "ome": -177.958467968466, + "ome": -179.633041087164, "chi2": null, "chi3": null, - "chi1": 166.861920359025, + "chi1": -82.461680615901, "chi4": null, "chi5": null, - "a1": 121.832047416748, - "L4": 1.54392650167939, - "L5": 1.25153110997248, - "L2": 1.43856898552662, - "L3": 1.53282996384469, - "a7": 122.060631258967, - "L1": 1.31748278501453, + "a1": 121.124445000826, + "L4": 1.52969358291531, + "L5": 1.22916403670887, + "L2": 1.45735601020768, + "L3": 1.53202738916278, + "a7": 122.288286966715, + "L1": 1.33144489010458, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 108.567769779236, - "bs": 16.0, - "a2": 109.321982368873, - "a5": 121.347464896512, + "ss": "H", + "a3": 110.077700895149, + "bs": 53.0, + "a2": 110.686543252353, + "a5": 120.484381562899, "sidechain_LEU": null, - "chainIndex": 272, + "chainIndex": 102, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.980744174754 + "a4": 109.67640768137 } }, { "pk": 835, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.344660711364, - "psi": 111.055690508787, - "oldID": "46", - "bg": 160.14, + "a6": 117.150281136339, + "psi": -7.47720156779345, + "oldID": "104", + "bg": 65.73, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9308084370051, + "zeta": 34.3466977508282, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 41, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 837, + "next": 836, "sidechain_SER": null, - "bm": 159.0, + "bm": 59.0, "xpr": false, - "prev": 831, + "prev": 834, "terminal_flag": false, - "phi": -85.9539414245147, + "phi": -79.5766768713715, "chainID": "A", "sidechain_GLN": null, - "ome": -179.950588840127, - "chi2": null, - "chi3": null, - "chi1": -52.1530665292498, + "ome": -179.905582580991, + "chi2": 176.569141773114, + "chi3": -40.1700194950635, + "chi1": -50.3534162840647, "chi4": null, "chi5": null, - "a1": 122.087827856633, - "L4": 1.52479599796006, - "L5": 1.23192993153355, - "L2": 1.46139447966652, - "L3": 1.54622316705507, - "a7": 122.710126021031, - "L1": 1.33072223221284, + "a1": 120.288585185572, + "L4": 1.5331073658617, + "L5": 1.23113944910949, + "L2": 1.46367527842782, + "L3": 1.52903430795984, + "a7": 122.703881949197, + "L1": 1.33001400804672, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 71, "omep": null, - "ss": "-", - "a3": 111.601447338208, - "bs": 159.0, - "a2": 111.209125721587, - "a5": 120.94508312491, + "ss": "H", + "a3": 113.283855165062, + "bs": 66.0, + "a2": 110.748772683921, + "a5": 120.145804582852, "sidechain_LEU": null, - "chainIndex": 45, + "chainIndex": 103, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.284631636137 + "a4": 108.783366597183 } }, { "pk": 836, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.152519912413, - "psi": 166.296687073578, - "oldID": "274", - "bg": 0.0, - "sidechain_CYS": null, + "a6": 115.425666223367, + "psi": -38.14443285881, + "oldID": "105", + "bg": 56.51, + "sidechain_CYS": 23, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 35.4821716477599, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 838, + "next": 837, "sidechain_SER": null, - "bm": 16.0, + "bm": 60.0, "xpr": false, - "prev": 834, + "prev": 835, "terminal_flag": false, - "phi": -60.988132250519, + "phi": -96.1435381028431, "chainID": "A", "sidechain_GLN": null, - "ome": -178.223817717466, + "ome": -179.789088811572, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -63.2600042213978, "chi4": null, "chi5": null, - "a1": 121.278255300502, - "L4": 1.52164356526917, - "L5": 1.23706171432773, - "L2": 1.45815269477066, - "L3": null, - "a7": 122.962111343763, - "L1": 1.33124089962256, + "a1": 121.647756105141, + "L4": 1.52069129446719, + "L5": 1.22523927121918, + "L2": 1.46429230988202, + "L3": 1.53118958942959, + "a7": 122.895751766985, + "L1": 1.33173055203645, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 114.775506835367, - "bs": 0.0, - "a2": null, - "a5": 120.883966614976, + "ss": "H", + "a3": 109.494956559244, + "bs": 58.0, + "a2": 110.667353108745, + "a5": 121.676731246313, "sidechain_LEU": null, - "chainIndex": 273, + "chainIndex": 104, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.449157139141 } }, { "pk": 837, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.762039475007, - "psi": 76.6423229128004, - "oldID": "47", - "bg": 157.58, + "a6": 115.951938080221, + "psi": 147.377438514077, + "oldID": "106", + "bg": 62.09, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2323582729298, + "zeta": 35.3174790649515, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 66, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 839, + "next": 838, "sidechain_SER": null, - "bm": 155.0, + "bm": 64.0, "xpr": false, - "prev": 835, + "prev": 836, "terminal_flag": false, - "phi": -71.2477536612386, + "phi": -104.079612682298, "chainID": "A", "sidechain_GLN": null, - "ome": 179.619249127999, - "chi2": 178.166029660545, - "chi3": 170.656822232116, - "chi1": -74.8241164895889, - "chi4": 177.30413692935, - "chi5": -0.121273842477135, - "a1": 121.04652979569, - "L4": 1.52297137487411, - "L5": 1.23101873642416, - "L2": 1.45766045113406, - "L3": 1.52770919074671, - "a7": 123.202717001924, - "L1": 1.3292462308824, - "sidechain_ARG": 42, + "ome": 179.035304718663, + "chi2": null, + "chi3": null, + "chi1": 76.2815209118304, + "chi4": null, + "chi5": null, + "a1": 121.345013055039, + "L4": 1.52416816148426, + "L5": 1.23195286913417, + "L2": 1.44896651338454, + "L3": 1.53180927964279, + "a7": 123.157492964049, + "L1": 1.32382902608267, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.687646362829, - "bs": 159.0, - "a2": 110.084607548524, - "a5": 121.034844690511, + "ss": "B", + "a3": 109.808805151922, + "bs": 63.0, + "a2": 110.227293393133, + "a5": 120.890190077304, "sidechain_LEU": null, - "chainIndex": 46, + "chainIndex": 105, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.20512537429 + "a4": 109.152240512234 } }, { "pk": 838, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.850688908188, - "psi": -17.4897374806076, - "oldID": "275", - "bg": 22.96, - "sidechain_CYS": null, + "a6": 117.122962883422, + "psi": 132.034384201004, + "oldID": "107", + "bg": 66.78, + "sidechain_CYS": 24, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.3395104717926, + "protein": "1TWF", + "zeta": 35.1492901164538, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 840, + "next": 839, "sidechain_SER": null, - "bm": 19.0, + "bm": 65.0, "xpr": false, - "prev": 836, + "prev": 837, "terminal_flag": false, - "phi": -69.220185858047, + "phi": -62.0381368675204, "chainID": "A", "sidechain_GLN": null, - "ome": 177.7669705074, - "chi2": -175.421785180741, - "chi3": -61.3128365194188, - "chi1": -80.773349933187, + "ome": -178.980809042352, + "chi2": null, + "chi3": null, + "chi1": 170.981359229765, "chi4": null, "chi5": null, - "a1": 121.14860531164, - "L4": 1.52936649407186, - "L5": 1.22470738075446, - "L2": 1.46016326505942, - "L3": 1.54516916582858, - "a7": 123.179367012855, - "L1": 1.33203356708357, + "a1": 122.210452367548, + "L4": 1.53292711722115, + "L5": 1.22754431923196, + "L2": 1.45600283817635, + "L3": 1.52727981633975, + "a7": 122.796558808763, + "L1": 1.32725404069517, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 72, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.044097897115, - "bs": 23.0, - "a2": 112.474006026514, - "a5": 119.954842136715, + "ss": "-", + "a3": 109.788137668271, + "bs": 66.0, + "a2": 109.69938064307, + "a5": 120.079838039919, "sidechain_LEU": null, - "chainIndex": 274, + "chainIndex": 106, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.619831909147 + "a4": 109.782245292833 } }, { "pk": 839, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.289191191039, - "psi": -99.0358696577365, - "oldID": "48", - "bg": 0.0, + "a6": 116.541886470006, + "psi": 27.0460806435537, + "oldID": "108", + "bg": 68.65, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6575131414559, + "zeta": 34.0848085874309, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 21, "sidechain_THR": null, "sidechain_TRP": null, - "next": 841, + "next": 840, "sidechain_SER": null, - "bm": 149.0, + "bm": 68.0, "xpr": false, - "prev": 837, + "prev": 838, "terminal_flag": false, - "phi": -114.716117832416, + "phi": -78.0619274153885, "chainID": "A", "sidechain_GLN": null, - "ome": 179.643955820588, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 179.033303865798, + "chi2": -52.0436898000134, + "chi3": -79.9805953043133, + "chi1": -67.7767316152857, "chi4": null, "chi5": null, - "a1": 121.903259066434, - "L4": 1.52594079545396, - "L5": 1.2313918189996, - "L2": 1.45769718486639, - "L3": 1.52679240713724, - "a7": 123.264203285352, - "L1": 1.32989471855361, + "a1": 121.838826324951, + "L4": 1.51431183546291, + "L5": 1.23002763964666, + "L2": 1.46033189350359, + "L3": 1.52456324068185, + "a7": 122.923263313103, + "L1": 1.33168398827637, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.800141958875, - "bs": 149.0, - "a2": 109.992957090651, - "a5": 120.444916959219, + "ss": "T", + "a3": 115.127477618145, + "bs": 67.0, + "a2": 109.953914752186, + "a5": 120.534317032446, "sidechain_LEU": null, - "chainIndex": 47, + "chainIndex": 107, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.513263956021 + "a4": 109.38419815017 } }, { "pk": 840, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.435941502049, - "psi": -20.3081122477398, - "oldID": "276", - "bg": 0.0, + "a6": 117.389595435136, + "psi": -56.1555618717472, + "oldID": "109", + "bg": 81.1, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 33.831784601243, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 842, + "next": 841, "sidechain_SER": null, - "bm": 18.0, + "bm": 71.0, "xpr": false, - "prev": 838, + "prev": 839, "terminal_flag": false, - "phi": -68.7321188117396, + "phi": -133.61164328588, "chainID": "A", "sidechain_GLN": null, - "ome": 179.495600300884, + "ome": 179.608568845091, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -168.906993376534, "chi4": null, "chi5": null, - "a1": 122.26065469717, - "L4": 1.52371894605962, - "L5": 1.23569945144375, - "L2": 1.45099528248671, - "L3": null, - "a7": 121.981378865571, - "L1": 1.33246283998876, + "a1": 120.840856887949, + "L4": 1.53102256393586, + "L5": 1.22627736614422, + "L2": 1.45215610306623, + "L3": 1.52703720888845, + "a7": 122.767253027093, + "L1": 1.32701084157121, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 114.498891840834, - "bs": 0.0, - "a2": null, - "a5": 120.582655757154, + "a3": 112.638415032754, + "bs": 81.0, + "a2": 110.209949593002, + "a5": 119.842278065485, "sidechain_LEU": null, - "chainIndex": 275, - "sidechain_HIS": null, + "chainIndex": 108, + "sidechain_HIS": 36, "h_bond_energy": 0.0, - "a4": null + "a4": 110.305258806066 } }, { "pk": 841, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.443754061587, - "psi": 106.595272332686, - "oldID": "49", - "bg": 143.24, - "sidechain_CYS": null, + "a6": 116.309188599942, + "psi": -15.5136765619938, + "oldID": "110", + "bg": 54.52, + "sidechain_CYS": 25, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9918463219734, + "zeta": 33.7935333480149, "sidechain_PHE": null, - "sidechain_LYS": 46, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 843, + "next": 842, "sidechain_SER": null, - "bm": 142.0, + "bm": 67.0, "xpr": false, - "prev": 839, + "prev": 840, "terminal_flag": false, - "phi": -175.342372748345, + "phi": -103.592168633369, "chainID": "A", "sidechain_GLN": null, - "ome": -179.838342475013, - "chi2": 166.701943993142, - "chi3": -179.770055369921, - "chi1": -106.854771068425, - "chi4": 174.239438186186, + "ome": 178.546881693924, + "chi2": null, + "chi3": null, + "chi1": 52.1227003720511, + "chi4": null, "chi5": null, - "a1": 122.959782105311, - "L4": 1.52089754655348, - "L5": 1.23138107091399, - "L2": 1.46552696954463, - "L3": 1.5321147377042, - "a7": 122.973400680946, - "L1": 1.33255448866035, + "a1": 121.938866144748, + "L4": 1.53034976957236, + "L5": 1.22884630170801, + "L2": 1.46758205527521, + "L3": 1.53026177219157, + "a7": 122.908077302553, + "L1": 1.33399776668052, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.553154606007, - "bs": 143.0, - "a2": 110.799479550057, - "a5": 120.582843911305, + "ss": "T", + "a3": 112.993464201429, + "bs": 59.0, + "a2": 110.333074520669, + "a5": 120.782421901805, "sidechain_LEU": null, - "chainIndex": 48, + "chainIndex": 109, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.032623946436 + "a4": 110.059432782271 } }, { "pk": 842, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.237007496099, - "psi": 142.60438024782, - "oldID": "277", - "bg": 16.25, + "a6": 116.415250454329, + "psi": 32.3799083288429, + "oldID": "111", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.1790823395602, - "sidechain_PHE": 31, + "protein": "1TWF", + "zeta": null, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 844, + "next": 843, "sidechain_SER": null, - "bm": 16.0, + "bm": 67.0, "xpr": false, - "prev": 840, + "prev": 841, "terminal_flag": false, - "phi": -69.6272547218902, + "phi": 79.3916087862451, "chainID": "A", "sidechain_GLN": null, - "ome": 176.290518753776, - "chi2": 78.4731928236013, + "ome": -179.539745112718, + "chi2": null, "chi3": null, - "chi1": 175.301253567457, + "chi1": null, "chi4": null, "chi5": null, - "a1": 118.425283109592, - "L4": 1.52725554360697, - "L5": 1.22822041348404, - "L2": 1.45055395991264, - "L3": 1.52189773317586, - "a7": 123.695816166477, - "L1": 1.33257732269914, + "a1": 121.174654660649, + "L4": 1.51580823634696, + "L5": 1.23389857093635, + "L2": 1.45230430452664, + "L3": null, + "a7": 122.777095070895, + "L1": 1.32932072521091, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 111.838004395237, - "bs": 16.0, - "a2": 112.964824768714, - "a5": 121.062282781948, + "a3": 116.157570378022, + "bs": 0.0, + "a2": null, + "a5": 120.799015587116, "sidechain_LEU": null, - "chainIndex": 276, + "chainIndex": 110, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.024557046735 + "a4": null } }, { "pk": 843, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.132031698711, - "psi": 148.620354163895, - "oldID": "50", - "bg": 135.19, + "a6": 117.633233806699, + "psi": 144.194993099709, + "oldID": "112", + "bg": 64.66, "sidechain_CYS": null, - "sidechain_ILE": 45, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4739452151978, + "zeta": 34.9789627215496, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 46, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 845, + "next": 844, "sidechain_SER": null, - "bm": 135.0, + "bm": 65.0, "xpr": false, - "prev": 841, + "prev": 842, "terminal_flag": false, - "phi": -65.4032708105356, + "phi": -105.731647511367, "chainID": "A", "sidechain_GLN": null, - "ome": -179.967346474819, - "chi2": -179.560928861269, - "chi3": null, - "chi1": -61.4391060514067, - "chi4": null, + "ome": 179.959150212621, + "chi2": 162.983773721712, + "chi3": -176.09246254172, + "chi1": -176.800336121085, + "chi4": -69.8871205697866, "chi5": null, - "a1": 121.382684008429, - "L4": 1.52539212430221, - "L5": 1.22972816081196, - "L2": 1.45913154456118, - "L3": 1.54332241682225, - "a7": 123.178159753849, - "L1": 1.32869641244112, + "a1": 121.638126780379, + "L4": 1.53133217072858, + "L5": 1.22433223731008, + "L2": 1.45690840316887, + "L3": 1.53550184501712, + "a7": 122.180162313733, + "L1": 1.32557440916465, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 111.058140451858, - "bs": 135.0, - "a2": 111.278747702434, - "a5": 120.68949354426, + "a3": 108.676347913342, + "bs": 65.0, + "a2": 108.679326074522, + "a5": 120.167123772127, "sidechain_LEU": null, - "chainIndex": 49, + "chainIndex": 111, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.006712577282 + "a4": 111.467985786782 } }, { "pk": 844, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.887326732387, - "psi": 165.48962694894, - "oldID": "278", - "bg": 0.0, + "a6": 116.284983612136, + "psi": 135.173555498911, + "oldID": "113", + "bg": 64.33, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6998987199208, + "protein": "1TWF", + "zeta": 34.421188052446, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 846, + "next": 845, "sidechain_SER": null, - "bm": 14.0, + "bm": 65.0, "xpr": false, - "prev": 842, + "prev": 843, "terminal_flag": false, - "phi": -166.044014352817, + "phi": -59.6030320063317, "chainID": "A", "sidechain_GLN": null, - "ome": 175.767573218785, - "chi2": null, + "ome": -179.183646481777, + "chi2": -174.757642700349, "chi3": null, - "chi1": null, + "chi1": -85.5031081703413, "chi4": null, "chi5": null, - "a1": 123.189987060852, - "L4": 1.51678668109941, - "L5": 1.22975049072741, - "L2": 1.45342290768495, - "L3": 1.52251872068723, - "a7": 122.94384667372, - "L1": 1.32900468276877, + "a1": 120.48242785099, + "L4": 1.52863333762045, + "L5": 1.22900533423272, + "L2": 1.46019993332622, + "L3": 1.52377778757165, + "a7": 122.91927316047, + "L1": 1.32866793905811, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.971656019748, - "bs": 16.0, - "a2": 111.567413029309, - "a5": 121.163578160717, - "sidechain_LEU": null, - "chainIndex": 277, + "ss": "B", + "a3": 112.155945962211, + "bs": 63.0, + "a2": 110.599065476254, + "a5": 120.792242363072, + "sidechain_LEU": 65, + "chainIndex": 112, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.376837986017 + "a4": 109.179173639064 } }, { "pk": 845, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.012400831859, - "psi": 19.2403305889717, - "oldID": "51", - "bg": 0.0, + "a6": 116.497354237808, + "psi": -15.6483560155211, + "oldID": "114", + "bg": 65.71, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 33.9757999990054, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 847, + "next": 846, "sidechain_SER": null, - "bm": 130.0, + "bm": 68.0, "xpr": false, - "prev": 843, + "prev": 844, "terminal_flag": false, - "phi": -74.0982841932907, + "phi": -65.2345188945293, "chainID": "A", "sidechain_GLN": null, - "ome": -179.849750872441, - "chi2": null, + "ome": 179.328365570981, + "chi2": 168.054102503608, "chi3": null, - "chi1": null, + "chi1": -68.9887435276794, "chi4": null, "chi5": null, - "a1": 121.056856542552, - "L4": 1.5165377900135, - "L5": 1.23199752555127, - "L2": 1.45225507848212, - "L3": null, - "a7": 122.948358627841, - "L1": 1.33105693475317, + "a1": 121.991588990765, + "L4": 1.52762301457535, + "L5": 1.231139801915, + "L2": 1.45906182207884, + "L3": 1.5286234221632, + "a7": 122.921624017926, + "L1": 1.3289972127268, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 112.400918413955, - "bs": 0.0, - "a2": null, - "a5": 121.039167336288, - "sidechain_LEU": null, - "chainIndex": 50, + "a3": 114.346397478873, + "bs": 66.0, + "a2": 109.530403156937, + "a5": 120.580759203774, + "sidechain_LEU": 66, + "chainIndex": 113, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.207642005574 } }, { "pk": 846, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.191446733323, - "psi": 131.11266459864, - "oldID": "279", - "bg": 15.64, + "a6": 117.048337335094, + "psi": 148.07177449564, + "oldID": "115", + "bg": 72.16, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9402408107899, - "sidechain_PHE": 32, + "protein": "1TWF", + "zeta": 34.7225619849833, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 848, + "next": 847, "sidechain_SER": null, - "bm": 15.0, + "bm": 75.0, "xpr": false, - "prev": 844, + "prev": 845, "terminal_flag": false, - "phi": -150.289043756222, + "phi": -141.26751891152, "chainID": "A", "sidechain_GLN": null, - "ome": -177.541559425375, - "chi2": 85.4674706452245, + "ome": -179.600645376276, + "chi2": 167.599072343607, "chi3": null, - "chi1": 169.83275344397, + "chi1": -66.4186677700964, "chi4": null, "chi5": null, - "a1": 121.337646256125, - "L4": 1.50717291857749, - "L5": 1.23483392764524, - "L2": 1.44975085608155, - "L3": 1.52951532152605, - "a7": 122.405954111244, - "L1": 1.32386356068935, + "a1": 122.290994122685, + "L4": 1.52584215026932, + "L5": 1.2314247837873, + "L2": 1.45995578829749, + "L3": 1.53124566513393, + "a7": 122.602459762445, + "L1": 1.32828151513866, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.129244890319, - "bs": 15.0, - "a2": 111.089908418473, - "a5": 120.344344494897, - "sidechain_LEU": null, - "chainIndex": 278, + "ss": "-", + "a3": 108.510951076668, + "bs": 72.0, + "a2": 110.178479573232, + "a5": 120.349191771792, + "sidechain_LEU": 67, + "chainIndex": 114, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.465591012711 + "a4": 110.350516730929 } }, { "pk": 847, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.961276839284, - "psi": -57.3253810591759, - "oldID": "52", - "bg": 0.0, + "sidechain_ASP": 54, + "a6": 116.82966879882, + "psi": -156.468436949126, + "oldID": "116", + "bg": 85.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.2243501795134, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 849, + "next": 848, "sidechain_SER": null, - "bm": 127.0, + "bm": 83.0, "xpr": false, - "prev": 845, + "prev": 846, "terminal_flag": false, - "phi": -95.2842492244015, + "phi": -143.048176417653, "chainID": "A", "sidechain_GLN": null, - "ome": -179.866576398096, - "chi2": null, + "ome": -178.709847613493, + "chi2": -4.34564293348916, "chi3": null, - "chi1": null, + "chi1": 51.3303013065134, "chi4": null, "chi5": null, - "a1": 120.983402818221, - "L4": 1.51713489220262, - "L5": 1.22753877974688, - "L2": 1.45251962988752, - "L3": null, - "a7": 122.708841567422, - "L1": 1.32939590659598, + "a1": 120.653958165491, + "L4": 1.52542036953126, + "L5": 1.22799674476152, + "L2": 1.45566449701904, + "L3": 1.5301516396808, + "a7": 122.878931837527, + "L1": 1.32804346937689, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 113.45941130471, - "bs": 0.0, - "a2": null, - "a5": 120.329856326601, + "ss": "-", + "a3": 111.787496317861, + "bs": 85.0, + "a2": 110.029720935832, + "a5": 120.291398748715, "sidechain_LEU": null, - "chainIndex": 51, + "chainIndex": 115, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.267129784584 } }, { @@ -114503,607 +102399,607 @@ "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.935103435934, - "psi": 121.624413822797, - "oldID": "280", - "bg": 16.82, + "a6": 116.940509489882, + "psi": -10.1587208828148, + "oldID": "117", + "bg": 95.23, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.684715699335, + "protein": "1TWF", + "zeta": 34.5859992715264, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 850, + "next": 849, "sidechain_SER": null, - "bm": 15.0, + "bm": 87.0, "xpr": false, - "prev": 846, + "prev": 847, "terminal_flag": false, - "phi": -148.361995578294, + "phi": -66.501815675268, "chainID": "A", "sidechain_GLN": null, - "ome": 177.523264691854, - "chi2": 81.1795978654685, - "chi3": 9.80595863764003, - "chi1": 169.659404830317, + "ome": -179.559681120043, + "chi2": 73.0480258136033, + "chi3": 67.4387771566809, + "chi1": -54.9916047813857, "chi4": null, "chi5": null, - "a1": 119.809198958287, - "L4": 1.52037842977777, - "L5": 1.23522336308312, - "L2": 1.44721513950346, - "L3": 1.53846583247969, - "a7": 123.925077884389, - "L1": 1.33218218071657, + "a1": 121.971716551793, + "L4": 1.5250883965388, + "L5": 1.2346858906009, + "L2": 1.46240691431459, + "L3": 1.52959041723083, + "a7": 122.568536873529, + "L1": 1.33211890304928, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 73, + "sidechain_GLU": 72, "omep": null, - "ss": "E", - "a3": 109.960375215223, - "bs": 17.0, - "a2": 110.81904618258, - "a5": 121.073485844461, + "ss": "T", + "a3": 113.811904893763, + "bs": 96.0, + "a2": 110.42838728182, + "a5": 120.490307403375, "sidechain_LEU": null, - "chainIndex": 279, + "chainIndex": 116, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.000597847718 + "a4": 108.670293523738 } }, { "pk": 849, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.691543618797, - "psi": 165.441988207146, - "oldID": "53", - "bg": 122.56, + "a6": 115.703483366556, + "psi": 6.54935430151745, + "oldID": "118", + "bg": 84.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0041347581496, + "zeta": 34.4718558576181, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 851, + "next": 850, "sidechain_SER": null, - "bm": 124.0, + "bm": 88.0, "xpr": false, - "prev": 847, + "prev": 848, "terminal_flag": false, - "phi": -132.763346483309, + "phi": -82.6577212951459, "chainID": "A", "sidechain_GLN": null, - "ome": 178.553855829999, - "chi2": 178.397125886211, + "ome": 179.845541318099, + "chi2": null, "chi3": null, - "chi1": -133.92193542893, + "chi1": -63.6326086942767, "chi4": null, "chi5": null, - "a1": 121.324854617853, - "L4": 1.53003656076012, - "L5": 1.23226638086619, - "L2": 1.45911036311835, - "L3": 1.53550946313348, - "a7": 123.031524225684, - "L1": 1.33032145834361, + "a1": 120.588501227406, + "L4": 1.51968315444494, + "L5": 1.23247183125213, + "L2": 1.45726960150364, + "L3": 1.52574956794469, + "a7": 123.440159433195, + "L1": 1.32734011538101, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.88814307146, - "bs": 122.0, - "a2": 109.684895992054, - "a5": 121.273731797992, - "sidechain_LEU": 69, - "chainIndex": 52, - "sidechain_HIS": null, + "ss": "T", + "a3": 111.867888361598, + "bs": 84.0, + "a2": 109.841837867261, + "a5": 120.856031373615, + "sidechain_LEU": null, + "chainIndex": 117, + "sidechain_HIS": 37, "h_bond_energy": 0.0, - "a4": 109.506067272182 + "a4": 110.056293033337 } }, { "pk": 850, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 28, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.228098783195, - "psi": 48.4316339569009, - "oldID": "281", - "bg": 16.87, + "a6": 116.598922865613, + "psi": 114.229433562745, + "oldID": "119", + "bg": 89.23, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9704149460454, + "protein": "1TWF", + "zeta": 35.059133154139, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 852, + "next": 851, "sidechain_SER": null, - "bm": 16.0, + "bm": 90.0, "xpr": false, - "prev": 848, + "prev": 849, "terminal_flag": false, - "phi": 46.3354966894522, + "phi": -123.291302426196, "chainID": "A", "sidechain_GLN": null, - "ome": 175.696959293246, - "chi2": -64.8498095539636, - "chi3": 10.1357616784082, - "chi1": -72.2496853448514, + "ome": -178.784529858694, + "chi2": -64.3646463205497, + "chi3": null, + "chi1": -178.479071506277, "chi4": null, "chi5": null, - "a1": 122.473734294567, - "L4": 1.52396168917497, - "L5": 1.22782933050673, - "L2": 1.4544335520974, - "L3": 1.53682356277313, - "a7": 122.021187682497, - "L1": 1.32735762283764, + "a1": 122.196519369834, + "L4": 1.52502659246686, + "L5": 1.23229908523354, + "L2": 1.45540055799462, + "L3": 1.52901061349644, + "a7": 123.086824301341, + "L1": 1.32849186128136, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 74, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.580016832247, - "bs": 17.0, - "a2": 110.295108498068, - "a5": 120.749579386815, + "ss": "S", + "a3": 108.123713294664, + "bs": 89.0, + "a2": 109.65178019529, + "a5": 120.31389563229, "sidechain_LEU": null, - "chainIndex": 280, + "chainIndex": 118, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.785827276113 + "a4": 110.485073821732 } }, { "pk": 851, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "e", "sidechain_PRO": null, - "sidechain_ASN": 32, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 119.084996893871, - "psi": -15.4639502612955, - "oldID": "54", - "bg": 123.85, + "a6": 117.384046760345, + "psi": -31.8135223377611, + "oldID": "120", + "bg": 99.41, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.5114728352454, + "zeta": 33.4250291196444, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 853, + "next": 852, "sidechain_SER": null, - "bm": 125.0, + "bm": 92.0, "xpr": false, - "prev": 849, + "prev": 850, "terminal_flag": false, - "phi": 64.7475463248391, + "phi": -57.2209551453378, "chainID": "A", "sidechain_GLN": null, - "ome": 179.34393202932, - "chi2": 58.1500760415272, - "chi3": null, - "chi1": -69.2227913289849, + "ome": 179.400449446664, + "chi2": 177.880753199736, + "chi3": 64.767802701236, + "chi1": -117.09768053694, "chi4": null, "chi5": null, - "a1": 122.979414178514, - "L4": 1.52759490422372, - "L5": 1.23248152301255, - "L2": 1.46062099207925, - "L3": 1.52558876654206, - "a7": 121.535744833062, - "L1": 1.32819449726461, + "a1": 121.657207507229, + "L4": 1.53014879051957, + "L5": 1.23032083451326, + "L2": 1.46304124873717, + "L3": 1.53684107450992, + "a7": 122.245787619021, + "L1": 1.33234712453311, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 73, "omep": null, - "ss": "S", - "a3": 117.887729155044, - "bs": 123.0, - "a2": 109.96512918397, - "a5": 119.379249614425, + "ss": "H", + "a3": 115.116475981523, + "bs": 100.0, + "a2": 110.43917960704, + "a5": 120.370160895585, "sidechain_LEU": null, - "chainIndex": 53, + "chainIndex": 119, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.016089969972 + "a4": 109.779698496424 } }, { "pk": 852, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.53174827844, - "psi": -12.0514521110752, - "oldID": "282", - "bg": 0.0, + "a6": 116.863197324776, + "psi": -24.319546204869, + "oldID": "121", + "bg": 91.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.1382536849082, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 854, + "next": 853, "sidechain_SER": null, - "bm": 15.0, + "bm": 88.0, "xpr": false, - "prev": 850, + "prev": 851, "terminal_flag": false, - "phi": 93.551615518139, + "phi": -78.3726534294541, "chainID": "A", "sidechain_GLN": null, - "ome": 179.360718972637, - "chi2": null, + "ome": -179.57790200728, + "chi2": 176.660185267105, "chi3": null, - "chi1": null, + "chi1": -72.5773118289116, "chi4": null, "chi5": null, - "a1": 119.901160071335, - "L4": 1.524228718019, - "L5": 1.22905152060144, - "L2": 1.45056338296435, - "L3": null, - "a7": 122.577920410582, - "L1": 1.3270135910673, + "a1": 120.154888830594, + "L4": 1.53222030360538, + "L5": 1.22767092868448, + "L2": 1.45512739025513, + "L3": 1.53663768127609, + "a7": 122.614775685298, + "L1": 1.32720236082314, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.197099718638, - "bs": 0.0, - "a2": null, - "a5": 119.878206934888, - "sidechain_LEU": null, - "chainIndex": 281, + "ss": "H", + "a3": 111.053245650566, + "bs": 91.0, + "a2": 110.4697378239, + "a5": 120.514835861958, + "sidechain_LEU": 68, + "chainIndex": 120, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.217745434801 } }, { "pk": 853, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 48, - "a6": 118.632262156809, - "psi": -3.63363243866259, - "oldID": "55", - "bg": 127.85, + "sidechain_ASP": null, + "a6": 115.384727964919, + "psi": -36.5300392723213, + "oldID": "122", + "bg": 77.63, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.4052682830243, + "zeta": 35.1326492837075, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 22, "sidechain_THR": null, "sidechain_TRP": null, - "next": 855, + "next": 854, "sidechain_SER": null, - "bm": 127.0, + "bm": 85.0, "xpr": false, - "prev": 851, + "prev": 852, "terminal_flag": false, - "phi": -161.851560029704, + "phi": -76.7554454969112, "chainID": "A", "sidechain_GLN": null, - "ome": -179.976135483456, - "chi2": 59.6513573663734, - "chi3": null, - "chi1": -155.327658610028, + "ome": 179.379155233354, + "chi2": 74.4660062616312, + "chi3": -165.635142572269, + "chi1": 176.635872951696, "chi4": null, "chi5": null, - "a1": 117.652903217379, - "L4": 1.52614789441622, - "L5": 1.23075532330445, - "L2": 1.45726616186279, - "L3": 1.52950854240461, - "a7": 122.000589984326, - "L1": 1.3308934852199, + "a1": 122.277769556125, + "L4": 1.51918656747065, + "L5": 1.23312762571474, + "L2": 1.46254724237374, + "L3": 1.52889796673196, + "a7": 123.321606531543, + "L1": 1.33006368205315, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 119.974230438614, - "bs": 127.0, - "a2": 109.148474508434, - "a5": 119.361009566911, + "ss": "H", + "a3": 111.144928845404, + "bs": 76.0, + "a2": 109.841998512713, + "a5": 121.286166775099, "sidechain_LEU": null, - "chainIndex": 54, + "chainIndex": 121, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.187005395859 + "a4": 109.342194294659 } }, { "pk": 854, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.180488189333, - "psi": 129.037968648099, - "oldID": "283", - "bg": 14.69, + "a6": 116.703633825195, + "psi": -43.9373836657159, + "oldID": "123", + "bg": 94.55, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.7811311555888, + "protein": "1TWF", + "zeta": 35.0326040799929, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 856, + "next": 855, "sidechain_SER": null, - "bm": 13.0, + "bm": 87.0, "xpr": false, - "prev": 852, + "prev": 853, "terminal_flag": false, - "phi": -114.49243935515, + "phi": -60.3223527941867, "chainID": "A", "sidechain_GLN": null, - "ome": 170.95233448242, - "chi2": 177.729525503585, - "chi3": null, - "chi1": -63.8389607834705, - "chi4": null, - "chi5": null, - "a1": 120.453225769554, - "L4": 1.50858400283524, - "L5": 1.2503712680575, - "L2": 1.46092246444181, - "L3": 1.51761080059578, - "a7": 124.075368960195, - "L1": 1.32922223138417, - "sidechain_ARG": null, + "ome": 179.445712172067, + "chi2": 171.63594155104, + "chi3": -76.5891683579401, + "chi1": -105.679199076781, + "chi4": 152.299435848039, + "chi5": -0.266873562168456, + "a1": 121.786847618907, + "L4": 1.52197213908353, + "L5": 1.23031704630696, + "L2": 1.4490644775827, + "L3": 1.52507111058815, + "a7": 122.739167296828, + "L1": 1.32502488916633, + "sidechain_ARG": 41, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.740871463903, - "bs": 13.0, - "a2": 109.822998211105, - "a5": 119.741465313147, - "sidechain_LEU": 70, - "chainIndex": 282, + "ss": "H", + "a3": 109.615588033612, + "bs": 99.0, + "a2": 109.848702003865, + "a5": 120.556787759891, + "sidechain_LEU": null, + "chainIndex": 122, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.759215942071 + "a4": 109.937764475201 } }, { "pk": 855, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 42, + "aa": "q", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.243053793775, - "psi": -42.3594648078465, - "oldID": "56", - "bg": 128.7, + "a6": 116.381305102214, + "psi": -23.4090749190204, + "oldID": "124", + "bg": 89.32, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.9534878983084, + "zeta": 34.4234437882825, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 857, + "next": 856, "sidechain_SER": null, - "bm": 129.0, + "bm": 84.0, "xpr": false, - "prev": 853, + "prev": 854, "terminal_flag": false, - "phi": -34.0465037234206, + "phi": -60.1014839853219, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.874398660636, - "chi2": -37.1947496061171, - "chi3": 43.2931131514672, - "chi1": 16.0330343606125, - "chi4": -34.9415300880545, + "sidechain_GLN": 37, + "ome": -179.90617327297, + "chi2": -154.321568014436, + "chi3": -57.0403600065639, + "chi1": -61.1594253435534, + "chi4": null, "chi5": null, - "a1": 119.814377173894, - "L4": 1.52352302175869, - "L5": 1.22527665211189, - "L2": 1.47000565483456, - "L3": 1.53525140012349, - "a7": 123.003361599727, - "L1": 1.34670182951961, + "a1": 120.239000561951, + "L4": 1.52648259010922, + "L5": 1.22888402475878, + "L2": 1.45441715092453, + "L3": 1.53142905258985, + "a7": 122.893544192891, + "L1": 1.3285276532586, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 14.0072368186453, - "ss": "S", - "a3": 115.484511356956, - "bs": 128.0, - "a2": 103.312116047954, - "a5": 120.753483357854, + "omep": null, + "ss": "H", + "a3": 109.876640954723, + "bs": 90.0, + "a2": 110.71269553918, + "a5": 120.72219369949, "sidechain_LEU": null, - "chainIndex": 55, + "chainIndex": 123, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.118972223981 + "a4": 109.89802916454 } }, { "pk": 856, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.742287024662, - "psi": 166.016880069267, - "oldID": "284", - "bg": 14.74, + "a6": 116.238233710312, + "psi": -38.4758158894725, + "oldID": "125", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7185268558055, - "sidechain_PHE": 33, + "protein": "1TWF", + "zeta": 34.6668355551565, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 858, + "next": 857, "sidechain_SER": null, - "bm": 12.0, + "bm": 77.0, "xpr": false, - "prev": 854, + "prev": 855, "terminal_flag": false, - "phi": -74.0093773289277, + "phi": -85.5555583219786, "chainID": "A", "sidechain_GLN": null, - "ome": 179.194509182136, - "chi2": -81.7163105248394, + "ome": -179.848516289379, + "chi2": null, "chi3": null, - "chi1": -70.5052127399346, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.155205548964, - "L4": 1.52635845008665, - "L5": 1.22809693209939, - "L2": 1.44623825909894, - "L3": 1.51493548551795, - "a7": 122.525104397999, - "L1": 1.3291606285437, + "a1": 122.030113544528, + "L4": 1.52110481572526, + "L5": 1.22800815415723, + "L2": 1.45787207958404, + "L3": 1.5175837770795, + "a7": 122.707679351921, + "L1": 1.32954994143142, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.76194135088, - "bs": 15.0, - "a2": 111.309191303429, - "a5": 120.691719982055, + "ss": "H", + "a3": 110.819521683304, + "bs": 77.0, + "a2": 110.04991038536, + "a5": 121.053018293378, "sidechain_LEU": null, - "chainIndex": 283, + "chainIndex": 124, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.823504419423 + "a4": 109.776838159245 } }, { "pk": 857, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.629130194186, - "psi": -19.4806471900518, - "oldID": "57", - "bg": 134.55, + "a6": 116.464442881467, + "psi": -24.3053088960387, + "oldID": "126", + "bg": 73.32, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.019846441613, + "zeta": 34.6600104118165, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 859, + "next": 858, "sidechain_SER": null, - "bm": 131.0, + "bm": 75.0, "xpr": false, - "prev": 855, + "prev": 856, "terminal_flag": false, - "phi": -159.092569474613, + "phi": -66.2710439541041, "chainID": "A", "sidechain_GLN": null, - "ome": -179.673174067308, - "chi2": -167.857280754424, - "chi3": 167.74201677427, - "chi1": -71.2611249958439, - "chi4": -173.363385654978, - "chi5": 0.0238111458273942, - "a1": 121.903800050552, - "L4": 1.52414871250467, - "L5": 1.22874970320684, - "L2": 1.45416860865905, - "L3": 1.53298328878075, - "a7": 123.531220790781, - "L1": 1.32653324398371, - "sidechain_ARG": 43, + "ome": -179.3520869874, + "chi2": 174.318449219453, + "chi3": null, + "chi1": -67.1795013691354, + "chi4": null, + "chi5": null, + "a1": 120.903004834368, + "L4": 1.52401270335086, + "L5": 1.23062789668105, + "L2": 1.44902450853016, + "L3": 1.52684457630065, + "a7": 123.183772623858, + "L1": 1.32443894979928, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.780832280623, - "bs": 136.0, - "a2": 110.2916207607, - "a5": 120.8396451005, - "sidechain_LEU": null, - "chainIndex": 56, + "ss": "H", + "a3": 112.147318226831, + "bs": 72.0, + "a2": 109.777133934461, + "a5": 120.351341725281, + "sidechain_LEU": 69, + "chainIndex": 125, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.512939056928 + "a4": 109.813476563425 } }, { @@ -115113,973 +103009,973 @@ "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.233901949162, - "psi": 154.326139271469, - "oldID": "285", + "a6": 116.593000006798, + "psi": -21.9551806247962, + "oldID": "127", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6842517581406, + "protein": "1TWF", + "zeta": 34.1642821320717, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 860, + "next": 859, "sidechain_SER": null, - "bm": 13.0, + "bm": 77.0, "xpr": false, - "prev": 856, + "prev": 857, "terminal_flag": false, - "phi": -64.5651617199818, + "phi": -74.842862435437, "chainID": "A", "sidechain_GLN": null, - "ome": 177.06075199457, + "ome": 179.582523274216, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.370848510934, - "L4": 1.53382180369183, - "L5": 1.2375631794049, - "L2": 1.44936826027438, - "L3": 1.50662747853565, - "a7": 122.892140884876, - "L1": 1.32960780628837, + "a1": 122.179151204081, + "L4": 1.53077469971201, + "L5": 1.23404523897848, + "L2": 1.46035757494892, + "L3": 1.52936354429175, + "a7": 122.970367478823, + "L1": 1.32986560390204, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 109.37890276061, - "bs": 12.0, - "a2": 109.771946885229, - "a5": 120.873879937283, + "a3": 113.610266257448, + "bs": 77.0, + "a2": 109.806542888524, + "a5": 120.435242882952, "sidechain_LEU": null, - "chainIndex": 284, + "chainIndex": 126, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.286938346309 + "a4": 109.913696587018 } }, { "pk": 859, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.968049631863, - "psi": 178.933165352494, - "oldID": "58", - "bg": 131.84, + "a6": 115.721951149039, + "psi": 133.733030881161, + "oldID": "128", + "bg": 76.5, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 45, "protein": "1TWF", - "zeta": 35.5817071527419, + "zeta": 34.4183222210038, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 861, + "next": 860, "sidechain_SER": null, - "bm": 133.0, + "bm": 80.0, "xpr": false, - "prev": 857, + "prev": 858, "terminal_flag": false, - "phi": -62.6721748081227, + "phi": -54.4832352714403, "chainID": "A", "sidechain_GLN": null, - "ome": 179.837827877867, - "chi2": 172.982818165191, + "ome": -179.280214445381, + "chi2": 176.815592139774, "chi3": null, - "chi1": -41.5024226864609, + "chi1": -63.3753292141034, "chi4": null, "chi5": null, - "a1": 123.657039894139, - "L4": 1.52406792160564, - "L5": 1.23096290828852, - "L2": 1.4607212396236, - "L3": 1.53330147065343, - "a7": 123.258337547198, - "L1": 1.32979614513092, + "a1": 121.760422017116, + "L4": 1.52624968691617, + "L5": 1.23158860484304, + "L2": 1.45820295257863, + "L3": 1.54578153472694, + "a7": 123.536574702895, + "L1": 1.33116593953371, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.942575683265, - "bs": 131.0, - "a2": 109.783171023693, - "a5": 120.763210501619, - "sidechain_LEU": 71, - "chainIndex": 57, + "ss": "-", + "a3": 109.952611073376, + "bs": 76.0, + "a2": 110.795089594278, + "a5": 120.739649008661, + "sidechain_LEU": null, + "chainIndex": 127, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.847972573099 + "a4": 109.949122638236 } }, { "pk": 860, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.64290226845, - "psi": 12.2896662346942, - "oldID": "286", - "bg": 0.0, + "a6": 116.107054118578, + "psi": -50.8589377202763, + "oldID": "129", + "bg": 90.35, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.9999932714842, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 47, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 862, + "next": 861, "sidechain_SER": null, - "bm": 13.0, + "bm": 86.0, "xpr": false, - "prev": 858, + "prev": 859, "terminal_flag": false, - "phi": 88.1072643571374, + "phi": -81.7833357120036, "chainID": "A", "sidechain_GLN": null, - "ome": -177.464951073768, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.853447088214, + "chi2": -65.463782991328, + "chi3": 177.78044972001, + "chi1": -61.7144025135371, + "chi4": 176.977767491813, "chi5": null, - "a1": 120.484182299033, - "L4": 1.51761216602557, - "L5": 1.22390382516734, - "L2": 1.44239818161147, - "L3": null, - "a7": 122.414604627509, - "L1": 1.33177601441449, + "a1": 123.223924047359, + "L4": 1.52344336329476, + "L5": 1.23151098063324, + "L2": 1.46407900440389, + "L3": 1.53049302068123, + "a7": 123.143421821745, + "L1": 1.33175842244863, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.138662399752, - "bs": 0.0, - "a2": null, - "a5": 119.93831078902, + "ss": "-", + "a3": 112.906612929596, + "bs": 91.0, + "a2": 109.928729810046, + "a5": 120.743256849321, "sidechain_LEU": null, - "chainIndex": 285, + "chainIndex": 128, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.906378314712 } }, { "pk": 861, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.982834739779, - "psi": 147.862821393454, - "oldID": "59", - "bg": 0.0, + "sidechain_ASP": 55, + "a6": 116.74348121065, + "psi": 106.066896581666, + "oldID": "130", + "bg": 96.79, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.5552004676199, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 863, + "next": 862, "sidechain_SER": null, - "bm": 134.0, + "bm": 91.0, "xpr": false, - "prev": 859, + "prev": 860, "terminal_flag": false, - "phi": -51.554726581011, + "phi": -56.7981293737206, "chainID": "A", "sidechain_GLN": null, - "ome": -179.718461367643, - "chi2": null, + "ome": 179.70936778978, + "chi2": -28.7848171170289, "chi3": null, - "chi1": null, + "chi1": -169.971888343204, "chi4": null, "chi5": null, - "a1": 120.697356198132, - "L4": 1.51650514407185, - "L5": 1.23062901859435, - "L2": 1.45335955894401, - "L3": null, - "a7": 122.64766194014, - "L1": 1.33080563854756, + "a1": 121.719741915607, + "L4": 1.51701907658568, + "L5": 1.22848118215916, + "L2": 1.45707256191497, + "L3": 1.52611808826777, + "a7": 122.859637278159, + "L1": 1.32830538465347, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.374960202621, - "bs": 0.0, - "a2": null, - "a5": 120.368906123835, + "ss": "S", + "a3": 109.351877101961, + "bs": 96.0, + "a2": 110.395116947115, + "a5": 120.396706308859, "sidechain_LEU": null, - "chainIndex": 58, + "chainIndex": 129, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.662608478751 } }, { "pk": 862, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.591167296026, - "psi": 130.563593253334, - "oldID": "287", - "bg": 14.16, + "a6": 117.145020259741, + "psi": -29.6162525989592, + "oldID": "131", + "bg": 91.63, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3370337693424, + "protein": "1TWF", + "zeta": 34.5879646221596, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 864, - "sidechain_SER": null, - "bm": 13.0, + "next": 863, + "sidechain_SER": 33, + "bm": 89.0, "xpr": false, - "prev": 860, + "prev": 861, "terminal_flag": false, - "phi": -76.3869822888709, + "phi": -50.766375481867, "chainID": "A", "sidechain_GLN": null, - "ome": 176.904415896095, - "chi2": 64.9984392115479, + "ome": 179.928337482836, + "chi2": null, "chi3": null, - "chi1": -173.712959173118, + "chi1": 52.2594501043858, "chi4": null, "chi5": null, - "a1": 119.368253688501, - "L4": 1.52708477758286, - "L5": 1.22591087734255, - "L2": 1.45835844077363, - "L3": 1.53063707993845, - "a7": 123.493463593844, - "L1": 1.3273957098305, + "a1": 120.663456001504, + "L4": 1.52793479356416, + "L5": 1.22981938921446, + "L2": 1.45341639249284, + "L3": 1.52358083431335, + "a7": 122.413287784217, + "L1": 1.32620878957836, "sidechain_ARG": null, - "sidechain_TYR": 29, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.065945949497, - "bs": 15.0, - "a2": 111.323364785037, - "a5": 120.893597788216, + "ss": "H", + "a3": 111.463325350403, + "bs": 91.0, + "a2": 110.13182693585, + "a5": 120.437679213273, "sidechain_LEU": null, - "chainIndex": 286, + "chainIndex": 130, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.419047184186 + "a4": 109.676872720308 } }, { "pk": 863, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.003305638931, - "psi": -179.33105001097, - "oldID": "60", - "bg": 136.03, + "a6": 116.013803004368, + "psi": -40.340174995571, + "oldID": "132", + "bg": 89.84, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4896689040387, + "zeta": 34.8045036055369, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 48, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 865, - "sidechain_SER": 41, - "bm": 135.0, + "next": 864, + "sidechain_SER": null, + "bm": 85.0, "xpr": false, - "prev": 861, + "prev": 862, "terminal_flag": false, - "phi": -117.826812487814, + "phi": -75.7648703517565, "chainID": "A", "sidechain_GLN": null, - "ome": 179.551059307067, - "chi2": null, - "chi3": null, - "chi1": 66.6856748257563, - "chi4": null, + "ome": -179.894230147551, + "chi2": 179.870146968444, + "chi3": -177.806264817008, + "chi1": -62.7829572220558, + "chi4": 179.31709303564, "chi5": null, - "a1": 120.645848889229, - "L4": 1.51891975635043, - "L5": 1.23161898807554, - "L2": 1.45806033801359, - "L3": 1.53423780788036, - "a7": 123.459709780905, - "L1": 1.32909882643706, + "a1": 120.873009499027, + "L4": 1.52293111476827, + "L5": 1.22993735847967, + "L2": 1.45852250917389, + "L3": 1.52879956782208, + "a7": 123.303257018316, + "L1": 1.32894167985245, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.993854731112, - "bs": 135.0, - "a2": 110.506844862085, - "a5": 121.536644094481, + "ss": "H", + "a3": 111.45629199162, + "bs": 91.0, + "a2": 110.453291099922, + "a5": 120.681547333013, "sidechain_LEU": null, - "chainIndex": 59, + "chainIndex": 131, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.096990823746 + "a4": 109.102843291671 } }, { "pk": 864, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "k", "sidechain_PRO": null, - "sidechain_ASN": 33, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.097705229397, - "psi": 106.640530663509, - "oldID": "288", - "bg": 19.28, + "a6": 116.140782991561, + "psi": -28.8723164520419, + "oldID": "133", + "bg": 81.95, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3347763199928, + "protein": "1TWF", + "zeta": 35.1363331610009, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 49, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 866, + "next": 865, "sidechain_SER": null, - "bm": 15.0, + "bm": 80.0, "xpr": false, - "prev": 862, + "prev": 863, "terminal_flag": false, - "phi": -107.08546279497, + "phi": -73.2104675052428, "chainID": "A", "sidechain_GLN": null, - "ome": -174.063974935388, - "chi2": -37.3699898181093, - "chi3": null, - "chi1": -179.69916462754, - "chi4": null, + "ome": -179.506720244219, + "chi2": -114.606965601297, + "chi3": 176.841192690422, + "chi1": -75.9432032757085, + "chi4": 176.433378748045, "chi5": null, - "a1": 123.124867825108, - "L4": 1.52369238222564, - "L5": 1.23340914166745, - "L2": 1.46115108286923, - "L3": 1.52799590355437, - "a7": 122.103579641491, - "L1": 1.32597300426448, + "a1": 122.285670806693, + "L4": 1.52238534557873, + "L5": 1.22929738138937, + "L2": 1.45884129256476, + "L3": 1.53194003974091, + "a7": 123.11118452988, + "L1": 1.32947113148265, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.156743333396, - "bs": 18.0, - "a2": 110.407391754834, - "a5": 120.780502119166, + "ss": "H", + "a3": 111.30077137313, + "bs": 82.0, + "a2": 110.150538412809, + "a5": 120.745723363298, "sidechain_LEU": null, - "chainIndex": 287, + "chainIndex": 132, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.73258462235 + "a4": 109.021643638944 } }, { "pk": 865, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.060734763521, - "psi": -148.036577645727, - "oldID": "61", - "bg": 135.99, + "a6": 115.946093765261, + "psi": -51.4312331440138, + "oldID": "134", + "bg": 70.03, "sidechain_CYS": null, - "sidechain_ILE": 46, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0801868819356, + "zeta": 35.2293790898437, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 867, + "next": 866, "sidechain_SER": null, - "bm": 137.0, + "bm": 74.0, "xpr": false, - "prev": 863, + "prev": 864, "terminal_flag": false, - "phi": -133.373109838462, + "phi": -74.275044533624, "chainID": "A", "sidechain_GLN": null, - "ome": 179.656428236436, - "chi2": 174.530216721881, - "chi3": null, - "chi1": -37.6136391911283, - "chi4": null, - "chi5": null, - "a1": 122.265999570301, - "L4": 1.53050848305694, - "L5": 1.23325715085548, - "L2": 1.45234654478544, - "L3": 1.54265595476781, - "a7": 122.922855904784, - "L1": 1.32688683769879, - "sidechain_ARG": null, + "ome": -179.809883856912, + "chi2": -163.687003914279, + "chi3": -46.1939817125519, + "chi1": -163.314890411108, + "chi4": 118.223496319621, + "chi5": 0.00973113053379153, + "a1": 121.534482438742, + "L4": 1.51804414349791, + "L5": 1.23012972413479, + "L2": 1.45154771727628, + "L3": 1.52718858277197, + "a7": 123.287897713174, + "L1": 1.32877205323578, + "sidechain_ARG": 42, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.775768364661, - "bs": 136.0, - "a2": 110.677087675705, - "a5": 120.015265505701, + "ss": "H", + "a3": 109.390790501916, + "bs": 68.0, + "a2": 110.720111858055, + "a5": 120.764722288995, "sidechain_LEU": null, - "chainIndex": 60, + "chainIndex": 133, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.934330037067 + "a4": 108.854639556406 } }, { "pk": 866, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.474873977075, - "psi": -20.9218507196359, - "oldID": "289", - "bg": 21.67, + "a6": 115.394603442667, + "psi": -36.9070998407498, + "oldID": "135", + "bg": 74.06, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.327319948077, - "sidechain_PHE": null, - "sidechain_LYS": 47, + "protein": "1TWF", + "zeta": 35.0943150299672, + "sidechain_PHE": 38, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 868, + "next": 867, "sidechain_SER": null, - "bm": 20.0, + "bm": 71.0, "xpr": false, - "prev": 864, + "prev": 865, "terminal_flag": false, - "phi": -68.6383753670209, + "phi": -51.9139327430312, "chainID": "A", "sidechain_GLN": null, - "ome": 177.802016734381, - "chi2": -159.307765263419, - "chi3": 165.765714358376, - "chi1": 71.7418332821007, - "chi4": 179.208163356905, + "ome": 179.780432963938, + "chi2": 67.7747878248118, + "chi3": null, + "chi1": -177.58671433796, + "chi4": null, "chi5": null, - "a1": 118.829621549416, - "L4": 1.53809657098775, - "L5": 1.23008938999916, - "L2": 1.46436633963498, - "L3": 1.516013790214, - "a7": 122.206523855807, - "L1": 1.31309799495955, + "a1": 121.942923165455, + "L4": 1.51432714172722, + "L5": 1.22855188798043, + "L2": 1.45763668860606, + "L3": 1.53066118163452, + "a7": 123.70145798043, + "L1": 1.32954021966973, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.683600924989, - "bs": 22.0, - "a2": 111.162611417605, - "a5": 119.311280576054, + "ss": "H", + "a3": 109.081132900322, + "bs": 74.0, + "a2": 110.437432541863, + "a5": 120.903938501103, "sidechain_LEU": null, - "chainIndex": 288, + "chainIndex": 134, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.224551012884 + "a4": 109.454809202607 } }, { "pk": 867, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 49, - "a6": 116.650536564432, - "psi": 28.2449511972882, - "oldID": "62", - "bg": 140.0, + "sidechain_ASP": null, + "a6": 116.241964087607, + "psi": -51.4688591245635, + "oldID": "136", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3046870041597, + "zeta": 34.5879641394302, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 869, + "next": 868, "sidechain_SER": null, - "bm": 139.0, + "bm": 68.0, "xpr": false, - "prev": 865, + "prev": 866, "terminal_flag": false, - "phi": 59.4323476110787, + "phi": -71.7238037992735, "chainID": "A", "sidechain_GLN": null, - "ome": -179.702378519529, - "chi2": -61.7131719103565, + "ome": -179.377794926694, + "chi2": null, "chi3": null, - "chi1": -67.2920464215658, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.577719795427, - "L4": 1.52931714668818, - "L5": 1.23134401009916, - "L2": 1.46745148718807, - "L3": 1.53637172943391, - "a7": 122.968914919293, - "L1": 1.33228325480088, + "a1": 122.194834779972, + "L4": 1.52091618685536, + "L5": 1.23174049052066, + "L2": 1.45441545057871, + "L3": 1.51348580040121, + "a7": 123.05624288966, + "L1": 1.32814755720817, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.448606909828, - "bs": 139.0, - "a2": 110.671126789341, - "a5": 120.380090804234, + "ss": "H", + "a3": 111.026489822128, + "bs": 67.0, + "a2": 109.836964360548, + "a5": 120.699342591574, "sidechain_LEU": null, - "chainIndex": 61, + "chainIndex": 135, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.94458562395 + "a4": 110.018227628949 } }, { "pk": 868, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.914603568609, - "psi": -37.7678192812881, - "oldID": "290", - "bg": 24.26, + "a6": 116.504548548908, + "psi": -27.5925588942674, + "oldID": "137", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6329144313909, + "protein": "1TWF", + "zeta": 33.9838466528195, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 870, + "next": 869, "sidechain_SER": null, - "bm": 20.0, + "bm": 66.0, "xpr": false, - "prev": 866, + "prev": 867, "terminal_flag": false, - "phi": -80.1485091819977, + "phi": -61.1418129298935, "chainID": "A", "sidechain_GLN": null, - "ome": 179.042137706116, - "chi2": -67.7953641069941, - "chi3": -18.566988259692, - "chi1": -22.9646702001067, + "ome": 179.456033720179, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.167656729078, - "L4": 1.53639368276773, - "L5": 1.2292721641445, - "L2": 1.46094830780536, - "L3": 1.54844806063384, - "a7": 121.442292659825, - "L1": 1.33337634606343, + "a1": 121.406885919267, + "L4": 1.53572657890271, + "L5": 1.2296140830933, + "L2": 1.45732336134913, + "L3": 1.52601414413533, + "a7": 123.099305994202, + "L1": 1.32912397035652, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 75, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.187751502948, - "bs": 24.0, - "a2": 112.631217643206, - "a5": 120.636047652866, + "ss": "H", + "a3": 112.540137519337, + "bs": 66.0, + "a2": 109.823346287179, + "a5": 120.396143710893, "sidechain_LEU": null, - "chainIndex": 289, + "chainIndex": 136, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.787205615473 + "a4": 110.452217243264 } }, { "pk": 869, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.985686105312, - "psi": 26.6149521069099, - "oldID": "63", - "bg": 141.34, + "a6": 116.215495073064, + "psi": -42.7677068864115, + "oldID": "138", + "bg": 67.84, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 46, "protein": "1TWF", - "zeta": 34.9981004763042, + "zeta": 35.0964660712477, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 871, + "next": 870, "sidechain_SER": null, - "bm": 140.0, + "bm": 67.0, "xpr": false, - "prev": 867, + "prev": 868, "terminal_flag": false, - "phi": 56.044279505601, + "phi": -81.2148998393383, "chainID": "A", "sidechain_GLN": null, - "ome": 179.9333330464, - "chi2": -177.70494620995, - "chi3": -172.734482560907, - "chi1": -56.3589218862188, - "chi4": 179.946405786586, - "chi5": 0.130450486445165, - "a1": 121.890967159405, - "L4": 1.52309796510812, - "L5": 1.23003910354001, - "L2": 1.45881665635761, - "L3": 1.52963721444537, - "a7": 122.630621645252, - "L1": 1.32979248518357, - "sidechain_ARG": 44, + "ome": 179.972240436546, + "chi2": 174.325511614244, + "chi3": null, + "chi1": -65.8458704008763, + "chi4": null, + "chi5": null, + "a1": 123.124908015544, + "L4": 1.52855619242346, + "L5": 1.2268290199841, + "L2": 1.46675421253861, + "L3": 1.55418496424226, + "a7": 122.815506565418, + "L1": 1.33319609899754, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.879151732127, - "bs": 142.0, - "a2": 110.761609999254, - "a5": 120.381098299033, + "ss": "H", + "a3": 110.183038424734, + "bs": 67.0, + "a2": 110.876081089995, + "a5": 120.96890550334, "sidechain_LEU": null, - "chainIndex": 62, + "chainIndex": 137, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.687327734737 + "a4": 108.842259114601 } }, { "pk": 870, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.592622465127, - "psi": -14.3984993711766, - "oldID": "291", - "bg": 20.58, + "a6": 116.279846037568, + "psi": -30.4918984871005, + "oldID": "139", + "bg": 67.13, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7993653571027, + "protein": "1TWF", + "zeta": 34.7379188780709, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 42, - "sidechain_TRP": null, - "next": 872, + "sidechain_THR": null, + "sidechain_TRP": 5, + "next": 871, "sidechain_SER": null, - "bm": 18.0, + "bm": 70.0, "xpr": false, - "prev": 868, + "prev": 869, "terminal_flag": false, - "phi": -90.5965983409928, + "phi": -64.2687098889401, "chainID": "A", "sidechain_GLN": null, - "ome": -175.188533929633, - "chi2": null, + "ome": -179.981171970733, + "chi2": 69.8179836433066, "chi3": null, - "chi1": 59.1319277884791, + "chi1": 170.362435780009, "chi4": null, "chi5": null, - "a1": 119.73200111894, - "L4": 1.52305143372427, - "L5": 1.21158449714838, - "L2": 1.43827232359706, - "L3": 1.53824698426746, - "a7": 123.735100773984, - "L1": 1.33021355889205, + "a1": 121.428968274458, + "L4": 1.52479305730853, + "L5": 1.23123904668752, + "L2": 1.45204557338574, + "L3": 1.52184993201699, + "a7": 122.947498948778, + "L1": 1.32611915137226, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.510032173477, - "bs": 20.0, - "a2": 111.592624527706, - "a5": 119.671249071267, + "ss": "H", + "a3": 111.341469287626, + "bs": 67.0, + "a2": 109.844362455144, + "a5": 120.772591250333, "sidechain_LEU": null, - "chainIndex": 290, + "chainIndex": 138, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.167128892922 + "a4": 109.797613268824 } }, { "pk": 871, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "t", "sidechain_PRO": null, - "sidechain_ASN": 34, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.348704389352, - "psi": 114.701104181299, - "oldID": "64", - "bg": 142.29, + "a6": 116.368161942091, + "psi": -23.5394560243426, + "oldID": "140", + "bg": 72.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9560279103913, + "zeta": 34.7000820053188, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 39, "sidechain_TRP": null, - "next": 873, + "next": 872, "sidechain_SER": null, - "bm": 141.0, + "bm": 74.0, "xpr": false, - "prev": 869, + "prev": 870, "terminal_flag": false, - "phi": -98.2921490401988, + "phi": -72.579582539169, "chainID": "A", "sidechain_GLN": null, - "ome": -179.774791683998, - "chi2": -54.4441871463694, + "ome": -179.953180366065, + "chi2": null, "chi3": null, - "chi1": -67.4874084781357, + "chi1": -48.5485336988236, "chi4": null, "chi5": null, - "a1": 120.999074178012, - "L4": 1.52686163694741, - "L5": 1.23172965966651, - "L2": 1.46032794030764, - "L3": 1.53350175182999, - "a7": 123.322251654719, - "L1": 1.32925569803458, + "a1": 121.324554022331, + "L4": 1.5243154049241, + "L5": 1.22921125983531, + "L2": 1.45395732692222, + "L3": 1.53638757886407, + "a7": 122.784166959995, + "L1": 1.32789065371131, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.064568647021, - "bs": 142.0, - "a2": 110.614840608256, - "a5": 121.32868408811, + "ss": "H", + "a3": 110.592368171149, + "bs": 73.0, + "a2": 111.122918366501, + "a5": 120.847659435276, "sidechain_LEU": null, - "chainIndex": 63, + "chainIndex": 139, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.960131279769 + "a4": 108.939920417396 } }, { "pk": 872, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.096216778626, - "psi": 34.6166776639919, - "oldID": "292", - "bg": 20.92, + "a6": 116.252849949086, + "psi": -37.5594428034298, + "oldID": "141", + "bg": 78.35, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.8332314166869, + "protein": "1TWF", + "zeta": 35.1407116053104, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 874, + "next": 873, "sidechain_SER": null, - "bm": 19.0, + "bm": 77.0, "xpr": false, - "prev": 870, + "prev": 871, "terminal_flag": false, - "phi": 57.9906320099436, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.959963958961, - "chi2": -175.638474605, - "chi3": 72.2262440577699, - "chi1": -69.5146272066437, - "chi4": 76.7600495115037, - "chi5": 0.283947331980203, - "a1": 122.752208594557, - "L4": 1.53061141025077, - "L5": 1.23627721926954, - "L2": 1.4657806224434, - "L3": 1.54176713789239, - "a7": 122.766168856737, - "L1": 1.33265910253894, - "sidechain_ARG": 45, + "phi": -91.5532072037427, + "chainID": "A", + "sidechain_GLN": null, + "ome": -177.84027117735, + "chi2": 62.6203965613729, + "chi3": null, + "chi1": -90.6477071964701, + "chi4": null, + "chi5": null, + "a1": 121.319899112252, + "L4": 1.51962424330955, + "L5": 1.23077704992378, + "L2": 1.45492085843167, + "L3": 1.52734499055451, + "a7": 123.065276306909, + "L1": 1.32706082449727, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.778340853525, - "bs": 23.0, - "a2": 111.757477265955, - "a5": 122.137614195256, - "sidechain_LEU": null, - "chainIndex": 291, + "ss": "H", + "a3": 112.074204053236, + "bs": 78.0, + "a2": 110.648611952379, + "a5": 120.681049814452, + "sidechain_LEU": 70, + "chainIndex": 140, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.598900327859 + "a4": 108.268598913202 } }, { "pk": 873, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.273180289534, - "psi": -13.88908426732, - "oldID": "65", - "bg": 143.12, - "sidechain_CYS": null, + "a6": 117.439899559606, + "psi": -20.7318854592204, + "oldID": "142", + "bg": 74.04, + "sidechain_CYS": 26, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8308080974214, + "zeta": 33.771199809458, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 875, + "next": 874, "sidechain_SER": null, - "bm": 144.0, + "bm": 80.0, "xpr": false, - "prev": 871, + "prev": 872, "terminal_flag": false, - "phi": -62.7944254777701, + "phi": -85.0296766739481, "chainID": "A", "sidechain_GLN": null, - "ome": 179.765260987426, - "chi2": 167.099331207431, + "ome": 179.943004863989, + "chi2": null, "chi3": null, - "chi1": -52.3072995385212, + "chi1": -61.1046097553454, "chi4": null, "chi5": null, - "a1": 122.931312638103, - "L4": 1.53156462855039, - "L5": 1.23411172006903, - "L2": 1.45793887427094, - "L3": 1.53588168717845, - "a7": 123.045206157435, - "L1": 1.33015430462894, + "a1": 121.330516626861, + "L4": 1.5195574375596, + "L5": 1.23118664759826, + "L2": 1.45438878367257, + "L3": 1.52856957794014, + "a7": 122.250484275207, + "L1": 1.32845585706987, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.280769266674, - "bs": 143.0, - "a2": 109.472433512042, - "a5": 120.681316751582, - "sidechain_LEU": 72, - "chainIndex": 64, + "ss": "H", + "a3": 116.720849836505, + "bs": 76.0, + "a2": 109.455642688033, + "a5": 120.309509439996, + "sidechain_LEU": null, + "chainIndex": 141, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.149240498988 + "a4": 109.752900732097 } }, { @@ -116089,424 +103985,424 @@ "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.831114742555, - "psi": 158.26630850448, - "oldID": "293", - "bg": 22.34, + "a6": 117.087098071444, + "psi": -21.6988158370494, + "oldID": "143", + "bg": 88.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3212814152701, + "protein": "1TWF", + "zeta": 33.3994615272412, "sidechain_PHE": null, - "sidechain_LYS": 48, + "sidechain_LYS": 50, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 876, + "next": 875, "sidechain_SER": null, - "bm": 18.0, + "bm": 87.0, "xpr": false, - "prev": 872, + "prev": 873, "terminal_flag": false, - "phi": -126.700641530841, + "phi": -69.5531828985437, "chainID": "A", "sidechain_GLN": null, - "ome": 177.719046109254, - "chi2": 177.116832580301, - "chi3": 70.7603591875964, - "chi1": -66.2472405472102, - "chi4": -178.368418042066, + "ome": 178.7690930268, + "chi2": -179.811219465724, + "chi3": -179.149080343205, + "chi1": 62.9379079162807, + "chi4": -179.505088751851, "chi5": null, - "a1": 121.103429779093, - "L4": 1.51511844325308, - "L5": 1.23106603703751, - "L2": 1.46033616845788, - "L3": 1.52643224083675, - "a7": 123.729619139373, - "L1": 1.32544062785968, + "a1": 119.069329149598, + "L4": 1.52810106456793, + "L5": 1.22629725586961, + "L2": 1.44998143233758, + "L3": 1.52870928615598, + "a7": 122.736454031694, + "L1": 1.32507581128522, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.247806425998, - "bs": 24.0, - "a2": 111.558218045284, - "a5": 121.437519306589, + "ss": "T", + "a3": 110.754717583324, + "bs": 89.0, + "a2": 110.586675207989, + "a5": 120.173570005438, "sidechain_LEU": null, - "chainIndex": 292, + "chainIndex": 142, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.341301913732 + "a4": 111.206190320647 } }, { "pk": 875, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.085134665297, - "psi": 128.635362038028, - "oldID": "66", - "bg": 146.15, + "a6": 116.080340235547, + "psi": -54.5894234219975, + "oldID": "144", + "bg": 94.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3920545361493, + "zeta": 35.0360682865447, "sidechain_PHE": null, - "sidechain_LYS": 49, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 40, "sidechain_TRP": null, - "next": 877, + "next": 876, "sidechain_SER": null, - "bm": 146.0, + "bm": 94.0, "xpr": false, - "prev": 873, + "prev": 874, "terminal_flag": false, - "phi": -66.0280139128305, + "phi": -73.2303725231966, "chainID": "A", "sidechain_GLN": null, - "ome": -179.435898022915, - "chi2": -160.140572716597, - "chi3": 170.838182580695, - "chi1": -92.3448150427637, - "chi4": -174.722518622717, + "ome": 179.163846654472, + "chi2": null, + "chi3": null, + "chi1": -65.6336043195304, + "chi4": null, "chi5": null, - "a1": 121.917923002601, - "L4": 1.52362874997889, - "L5": 1.23210769318886, - "L2": 1.46192893223042, - "L3": 1.53410818907728, - "a7": 123.010396425698, - "L1": 1.3323576732915, + "a1": 121.847858845384, + "L4": 1.52380204012046, + "L5": 1.22928609546013, + "L2": 1.46518388366094, + "L3": 1.54714691826229, + "a7": 123.317326519755, + "L1": 1.33270392234541, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.644696470576, - "bs": 146.0, - "a2": 110.86934094555, - "a5": 120.903277052281, + "ss": "T", + "a3": 108.847750029943, + "bs": 94.0, + "a2": 112.122060425103, + "a5": 120.600831629095, "sidechain_LEU": null, - "chainIndex": 65, + "chainIndex": 143, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.242751314708 + "a4": 107.977969346664 } }, { "pk": 876, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.575243392156, - "psi": 144.94185018689, - "oldID": "294", - "bg": 16.2, + "a6": 115.929064890693, + "psi": 124.978852725221, + "oldID": "145", + "bg": 98.36, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.5226844700692, + "protein": "1TWF", + "zeta": 35.2571505317837, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 51, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 878, + "next": 877, "sidechain_SER": null, - "bm": 17.0, + "bm": 98.0, "xpr": false, - "prev": 874, + "prev": 875, "terminal_flag": false, - "phi": -100.868650796353, + "phi": -57.0985979876572, "chainID": "A", "sidechain_GLN": null, - "ome": 170.394458636245, - "chi2": -71.3526392446463, - "chi3": null, - "chi1": -80.6831202939067, - "chi4": null, + "ome": 179.942791316357, + "chi2": -69.609642940363, + "chi3": 177.7923053928, + "chi1": -80.764812806323, + "chi4": -171.886241174032, "chi5": null, - "a1": 121.875311493458, - "L4": 1.50812645970344, - "L5": 1.23769926727758, - "L2": 1.44478087111385, - "L3": 1.51918734619813, - "a7": 123.842646728438, - "L1": 1.32274656107273, + "a1": 122.389458365051, + "L4": 1.51549199960134, + "L5": 1.23145843138555, + "L2": 1.46241383352009, + "L3": 1.53456532303255, + "a7": 123.396750950528, + "L1": 1.33301076919413, "sidechain_ARG": null, - "sidechain_TYR": 30, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.519126366107, - "bs": 15.0, - "a2": 108.900776049253, - "a5": 121.519213115544, + "ss": "-", + "a3": 109.289870633302, + "bs": 99.0, + "a2": 111.217248704993, + "a5": 120.672226543528, "sidechain_LEU": null, - "chainIndex": 293, + "chainIndex": 144, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.516423209252 + "a4": 108.368188459823 } }, { "pk": 877, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.927692679793, - "psi": 69.2027416829157, - "oldID": "67", - "bg": 147.81, - "sidechain_CYS": 13, + "a6": 115.223456131282, + "psi": 24.2188700357335, + "oldID": "146", + "bg": 107.56, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1977634975862, + "zeta": 34.8820718677125, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 23, "sidechain_THR": null, "sidechain_TRP": null, - "next": 879, + "next": 878, "sidechain_SER": null, - "bm": 148.0, + "bm": 99.0, "xpr": false, - "prev": 875, + "prev": 876, "terminal_flag": false, - "phi": -175.597342805911, + "phi": -125.060703120865, "chainID": "A", "sidechain_GLN": null, - "ome": -179.809826612732, - "chi2": null, - "chi3": null, - "chi1": -174.082716402142, + "ome": 179.579642117721, + "chi2": 142.758492516659, + "chi3": -52.9427271485145, + "chi1": -51.283967590029, "chi4": null, "chi5": null, - "a1": 121.323062414043, - "L4": 1.52383683443114, - "L5": 1.23061034934506, - "L2": 1.45239825076982, - "L3": 1.52947785718709, - "a7": 123.208654225654, - "L1": 1.3277075114738, + "a1": 121.932034236418, + "L4": 1.52246535055995, + "L5": 1.22823931133662, + "L2": 1.45661914707999, + "L3": 1.52278196087309, + "a7": 123.322497337956, + "L1": 1.32593076136918, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.51516620676, - "bs": 148.0, - "a2": 109.476252340562, - "a5": 120.863063822506, + "ss": "-", + "a3": 109.446901208103, + "bs": 109.0, + "a2": 109.468629001517, + "a5": 121.453632068469, "sidechain_LEU": null, - "chainIndex": 66, + "chainIndex": 145, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.118372305801 + "a4": 110.504726269089 } }, { "pk": 878, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 50, - "a6": 116.095098021935, - "psi": 98.543329203679, - "oldID": "295", - "bg": 17.39, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.026727053842, + "psi": 136.229537398147, + "oldID": "147", + "bg": 95.22, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9259795665377, + "protein": "1TWF", + "zeta": 34.9397399107, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 67, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 880, + "next": 879, "sidechain_SER": null, - "bm": 15.0, + "bm": 94.0, "xpr": false, - "prev": 876, + "prev": 877, "terminal_flag": false, - "phi": -87.6952845969844, + "phi": -144.224684498337, "chainID": "A", "sidechain_GLN": null, - "ome": -174.852367007759, - "chi2": 10.4874461339122, + "ome": -179.905136674849, + "chi2": null, "chi3": null, - "chi1": 166.977107309815, + "chi1": 171.927101406406, "chi4": null, "chi5": null, - "a1": 121.52927866109, - "L4": 1.53712483977526, - "L5": 1.23261954771294, - "L2": 1.43778476794995, - "L3": 1.50981789361727, - "a7": 122.981125650698, - "L1": 1.31692293137437, + "a1": 122.477574874006, + "L4": 1.52186243545922, + "L5": 1.23251691278958, + "L2": 1.45010226910434, + "L3": 1.54087695994471, + "a7": 123.237347203866, + "L1": 1.32562592576615, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 104.151065639651, - "bs": 17.0, - "a2": 107.518101842513, - "a5": 120.909582794501, + "ss": "B", + "a3": 108.098844132058, + "bs": 95.0, + "a2": 111.078221435369, + "a5": 120.730439533908, "sidechain_LEU": null, - "chainIndex": 294, + "chainIndex": 146, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.934729793576 + "a4": 109.440110511004 } }, { "pk": 879, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.120626786581, - "psi": 46.6492199706577, - "oldID": "68", - "bg": 151.97, - "sidechain_CYS": null, + "a6": 116.280549860923, + "psi": 94.4596568403349, + "oldID": "148", + "bg": 80.59, + "sidechain_CYS": 27, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2557186301297, + "zeta": 34.9712829309445, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 881, + "next": 880, "sidechain_SER": null, - "bm": 151.0, + "bm": 90.0, "xpr": false, - "prev": 877, + "prev": 878, "terminal_flag": false, - "phi": 63.1867626066834, + "phi": -86.7920154874649, "chainID": "A", - "sidechain_GLN": 35, - "ome": 179.757607384894, - "chi2": -169.348211138279, - "chi3": 60.8558585972045, - "chi1": -73.686741112636, + "sidechain_GLN": null, + "ome": -178.661714638879, + "chi2": null, + "chi3": null, + "chi1": -179.068026142943, "chi4": null, "chi5": null, - "a1": 122.314083422325, - "L4": 1.5242503221048, - "L5": 1.23282210693643, - "L2": 1.46056653204243, - "L3": 1.52991530900327, - "a7": 123.226279692068, - "L1": 1.32885812451124, + "a1": 122.062349032352, + "L4": 1.52402217146432, + "L5": 1.22590976245195, + "L2": 1.45773720568011, + "L3": 1.53217702874371, + "a7": 122.796956557203, + "L1": 1.32710055571304, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.956008593202, - "bs": 152.0, - "a2": 110.624321603103, - "a5": 120.653013366118, + "ss": "-", + "a3": 109.082094583018, + "bs": 83.0, + "a2": 109.74341382428, + "a5": 120.922488507143, "sidechain_LEU": null, - "chainIndex": 67, + "chainIndex": 147, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.217747993644 + "a4": 110.298799919664 } }, { "pk": 880, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.502092069911, - "psi": -13.8834800673078, - "oldID": "296", - "bg": 18.24, + "a6": 115.472250703259, + "psi": 140.290421875867, + "oldID": "149", + "bg": 93.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3348780003853, + "protein": "1TWF", + "zeta": 34.4244965035278, "sidechain_PHE": null, - "sidechain_LYS": 50, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 882, + "next": 881, "sidechain_SER": null, - "bm": 15.0, + "bm": 91.0, "xpr": false, - "prev": 878, + "prev": 879, "terminal_flag": false, - "phi": -68.4823140227223, + "phi": -59.5070913751233, "chainID": "A", "sidechain_GLN": null, - "ome": -178.948687545456, - "chi2": -165.070319387432, - "chi3": -75.3688611758808, - "chi1": -53.2421068123677, - "chi4": -37.1328241166887, + "ome": 179.927978440531, + "chi2": 160.891486382458, + "chi3": -55.5925569798361, + "chi1": -51.3428991810944, + "chi4": null, "chi5": null, - "a1": 122.491730901025, - "L4": 1.53151780937088, - "L5": 1.23078945674325, - "L2": 1.47171822102075, - "L3": 1.52271793233264, - "a7": 122.196163117427, - "L1": 1.31796162388631, + "a1": 121.882791849623, + "L4": 1.52430383305981, + "L5": 1.23101849913312, + "L2": 1.45383339653555, + "L3": 1.52522855907439, + "a7": 123.336297305524, + "L1": 1.32516906224684, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 74, "omep": null, - "ss": "G", - "a3": 114.501811818517, - "bs": 20.0, - "a2": 111.079186513302, - "a5": 120.299279579713, + "ss": "-", + "a3": 113.382879929296, + "bs": 94.0, + "a2": 109.102762427219, + "a5": 121.18785528004, "sidechain_LEU": null, - "chainIndex": 295, + "chainIndex": 148, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.277470376585 + "a4": 110.374017519904 } }, { @@ -116518,380 +104414,380 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.546576111647, - "psi": 62.0901455623902, - "oldID": "69", - "bg": 152.27, + "a6": 116.015816785652, + "psi": -34.6776383717932, + "oldID": "150", + "bg": 94.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6143910650355, + "zeta": 35.5807727625115, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 43, + "sidechain_THR": 41, "sidechain_TRP": null, - "next": 883, + "next": 882, "sidechain_SER": null, - "bm": 152.0, + "bm": 96.0, "xpr": false, - "prev": 879, + "prev": 880, "terminal_flag": false, - "phi": 47.6079327641755, + "phi": -103.272710763814, "chainID": "A", "sidechain_GLN": null, - "ome": 179.24657255122, + "ome": -179.166228576784, "chi2": null, "chi3": null, - "chi1": -52.2059411260556, + "chi1": -64.6432609892297, "chi4": null, "chi5": null, - "a1": 122.370675747281, - "L4": 1.53298577879353, - "L5": 1.23573404265607, - "L2": 1.46252195428679, - "L3": 1.55401997089979, - "a7": 122.918701859761, - "L1": 1.33064043283283, + "a1": 122.895437435029, + "L4": 1.52205409367864, + "L5": 1.2288986303062, + "L2": 1.46024406662106, + "L3": 1.55110473511395, + "a7": 123.225851048117, + "L1": 1.32978192305937, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 112.29741238112, - "bs": 152.0, - "a2": 110.917608827041, - "a5": 120.532920459248, + "a3": 109.972986700236, + "bs": 95.0, + "a2": 111.679504743357, + "a5": 120.757662435728, "sidechain_LEU": null, - "chainIndex": 68, + "chainIndex": 149, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.846593050935 + "a4": 107.40655392698 } }, { "pk": 882, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.964677519215, - "psi": -22.1406309426801, - "oldID": "297", - "bg": 17.19, + "chain": "1TWFA", + "sidechain_ASP": 56, + "a6": 116.410311777451, + "psi": 122.894990029988, + "oldID": "151", + "bg": 102.1, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5425511024122, + "protein": "1TWF", + "zeta": 35.1311735063743, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 884, - "sidechain_SER": 42, - "bm": 18.0, + "next": 883, + "sidechain_SER": null, + "bm": 103.0, "xpr": false, - "prev": 880, + "prev": 881, "terminal_flag": false, - "phi": -66.8619220444333, + "phi": -134.74465083098, "chainID": "A", "sidechain_GLN": null, - "ome": 175.890883502152, - "chi2": null, + "ome": -179.38600253292, + "chi2": -70.3775185604749, "chi3": null, - "chi1": 68.7982050674648, + "chi1": -46.7076416095755, "chi4": null, "chi5": null, - "a1": 119.174464868275, - "L4": 1.52011699136721, - "L5": 1.23396188753175, - "L2": 1.44896524128557, - "L3": 1.53631132286282, - "a7": 122.720425640405, - "L1": 1.32592938823824, + "a1": 122.220086568065, + "L4": 1.52690921446261, + "L5": 1.22903999163201, + "L2": 1.45579817773414, + "L3": 1.52905732275994, + "a7": 122.761675933517, + "L1": 1.32985930616108, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 108.312339703239, - "bs": 17.0, - "a2": 111.342330455312, - "a5": 120.314704093538, + "ss": "E", + "a3": 110.192883198865, + "bs": 101.0, + "a2": 109.099946112247, + "a5": 120.827419688869, "sidechain_LEU": null, - "chainIndex": 296, + "chainIndex": 150, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.172136365488 + "a4": 110.361772426711 } }, { "pk": 883, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.16542109395, - "psi": -13.392505372572, - "oldID": "70", - "bg": 150.41, - "sidechain_CYS": 14, + "a6": 117.243461861675, + "psi": 140.677281780562, + "oldID": "152", + "bg": 113.39, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1472120942404, + "zeta": 35.2805300489674, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 68, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 885, + "next": 884, "sidechain_SER": null, - "bm": 150.0, + "bm": 112.0, "xpr": false, - "prev": 881, + "prev": 882, "terminal_flag": false, - "phi": -138.870879982458, + "phi": -127.916345831657, "chainID": "A", "sidechain_GLN": null, - "ome": 179.542841279844, + "ome": 179.8475135748, "chi2": null, "chi3": null, - "chi1": 73.6756592789937, + "chi1": 174.729690027441, "chi4": null, "chi5": null, - "a1": 121.949999911785, - "L4": 1.53269375367317, - "L5": 1.23403337732253, - "L2": 1.46392281587377, - "L3": 1.53521010040177, - "a7": 123.067986079059, - "L1": 1.33341469111065, + "a1": 121.459346336333, + "L4": 1.519376251253, + "L5": 1.22869414943274, + "L2": 1.45528716535529, + "L3": 1.53970495508434, + "a7": 121.994137500838, + "L1": 1.32654017332705, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.7139835691, - "bs": 150.0, - "a2": 110.752761326465, - "a5": 120.765864358338, + "ss": "E", + "a3": 110.780453079486, + "bs": 112.0, + "a2": 110.822434794258, + "a5": 120.762400486436, "sidechain_LEU": null, - "chainIndex": 69, + "chainIndex": 151, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.948941827319 + "a4": 108.413398949005 } }, { "pk": 884, "model": "pgd_core.residue", "fields": { - "aa": "k", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 50, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.702331644064, - "psi": -16.6428447628435, - "oldID": "298", - "bg": 18.34, + "a6": 115.733815637002, + "psi": 123.434777303671, + "oldID": "153", + "bg": 117.99, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4659633667963, + "protein": "1TWF", + "zeta": 37.1434627822706, "sidechain_PHE": null, - "sidechain_LYS": 51, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 886, + "next": 885, "sidechain_SER": null, - "bm": 15.0, + "bm": 119.0, "xpr": false, - "prev": 882, + "prev": 883, "terminal_flag": false, - "phi": -62.6833928834424, + "phi": -62.6194375319946, "chainID": "A", "sidechain_GLN": null, - "ome": -172.115450897174, - "chi2": -63.5792308047709, - "chi3": 176.726230972889, - "chi1": -62.9555510024473, - "chi4": -124.006836518165, + "ome": -179.307841832461, + "chi2": -42.7645440004788, + "chi3": 39.3230615070858, + "chi1": 28.9902660490557, + "chi4": -21.8903400377226, "chi5": null, - "a1": 120.162262679831, - "L4": 1.53825518777404, - "L5": 1.22011713238458, - "L2": 1.44544974913923, - "L3": 1.54506853974625, - "a7": 122.646274429863, - "L1": 1.33294609698192, + "a1": 120.98327429227, + "L4": 1.52406834353025, + "L5": 1.23035787966803, + "L2": 1.46383036034277, + "L3": 1.52587783430539, + "a7": 123.120698698815, + "L1": 1.33986826348923, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.936905402235, - "bs": 21.0, - "a2": 111.643322994519, - "a5": 119.651218904589, + "omep": -0.0472678772983017, + "ss": "-", + "a3": 111.724269712076, + "bs": 118.0, + "a2": 103.00690363884, + "a5": 121.145253863887, "sidechain_LEU": null, - "chainIndex": 297, + "chainIndex": 152, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.074774651112 + "a4": 112.977514908884 } }, { "pk": 885, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.698282685451, - "psi": -129.513107226029, - "oldID": "71", - "bg": 149.82, + "a6": 115.517617667668, + "psi": 176.856659430396, + "oldID": "154", + "bg": 127.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4986442107382, + "zeta": 35.0530765167402, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 887, - "sidechain_SER": null, - "bm": 148.0, + "next": 886, + "sidechain_SER": 34, + "bm": 127.0, "xpr": false, - "prev": 883, + "prev": 884, "terminal_flag": false, - "phi": 62.3615555866805, + "phi": -70.6184236984479, "chainID": "A", - "sidechain_GLN": 36, - "ome": -179.975549193516, - "chi2": 63.8313026066822, - "chi3": 74.42278353058, - "chi1": -67.0335078801211, + "sidechain_GLN": null, + "ome": 179.349172250643, + "chi2": null, + "chi3": null, + "chi1": 55.2320788279177, "chi4": null, "chi5": null, - "a1": 122.457933296651, - "L4": 1.52413916169761, - "L5": 1.23042010305641, - "L2": 1.45914618166669, - "L3": 1.53265132685975, - "a7": 123.564197118799, - "L1": 1.33141453845862, + "a1": 122.416311801558, + "L4": 1.52414390940029, + "L5": 1.23217154535539, + "L2": 1.45569091274849, + "L3": 1.52571952952605, + "a7": 123.253249570608, + "L1": 1.32771825900614, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 112.835275702261, - "bs": 150.0, - "a2": 110.059847002452, - "a5": 120.736525808779, + "a3": 113.122631873484, + "bs": 127.0, + "a2": 109.587245882716, + "a5": 121.229060609523, "sidechain_LEU": null, - "chainIndex": 70, + "chainIndex": 153, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.536222375546 + "a4": 109.106813280882 } }, { "pk": 886, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.888479559353, - "psi": 3.28294950945743, - "oldID": "299", - "bg": 14.95, + "a6": 115.460028098771, + "psi": -30.7916624653499, + "oldID": "155", + "bg": 136.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.0176318625311, + "protein": "1TWF", + "zeta": 35.7754944528212, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 11, - "next": 889, + "sidechain_TRP": null, + "next": 887, "sidechain_SER": null, - "bm": 14.0, + "bm": 132.0, "xpr": false, - "prev": 884, + "prev": 885, "terminal_flag": false, - "phi": -104.459757754869, + "phi": -58.5995164685909, "chainID": "A", "sidechain_GLN": null, - "ome": -175.148123540358, - "chi2": -22.4579859276568, - "chi3": null, - "chi1": -50.7053146798988, + "ome": -179.429182777857, + "chi2": 167.151560123066, + "chi3": -57.2930562591391, + "chi1": -53.9455289551106, "chi4": null, "chi5": null, - "a1": 121.293397746923, - "L4": 1.51560000811122, - "L5": 1.23394266874868, - "L2": 1.46707256803779, - "L3": 1.53003808237953, - "a7": 122.72450728454, - "L1": 1.32525008619923, + "a1": 121.910088240048, + "L4": 1.52131000714294, + "L5": 1.23204252270073, + "L2": 1.45470312756508, + "L3": 1.52698536117409, + "a7": 123.46112934724, + "L1": 1.32906742610164, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 75, "omep": null, - "ss": "G", - "a3": 114.180489574539, - "bs": 14.0, - "a2": 109.397368990096, - "a5": 120.36390363308, + "ss": "S", + "a3": 107.771274124979, + "bs": 136.0, + "a2": 110.018252349379, + "a5": 121.077409073004, "sidechain_LEU": null, - "chainIndex": 298, + "chainIndex": 154, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.697429043154 + "a4": 109.102939720753 } }, { "pk": 887, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.524524982092, - "psi": 161.084398086214, - "oldID": "72", - "bg": 148.65, + "sidechain_ASP": 57, + "a6": 115.393152174961, + "psi": -149.153940641589, + "oldID": "156", + "bg": 132.86, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.8419668404832, + "zeta": 34.8495952077522, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -116900,467 +104796,467 @@ "sidechain_TRP": null, "next": 888, "sidechain_SER": null, - "bm": 145.0, + "bm": 130.0, "xpr": false, - "prev": 885, + "prev": 886, "terminal_flag": false, - "phi": 58.043166148158, + "phi": -71.3249890388106, "chainID": "A", "sidechain_GLN": null, - "ome": -179.072289348963, - "chi2": 162.564291404222, - "chi3": -56.7787393351778, - "chi1": -63.0466868171925, + "ome": -179.649738776185, + "chi2": -40.5837127190967, + "chi3": null, + "chi1": -42.4048897855041, "chi4": null, "chi5": null, - "a1": 122.901378267834, - "L4": 1.52349876888137, - "L5": 1.23546392218773, - "L2": 1.45877598509713, - "L3": 1.53192775301187, - "a7": 123.270822560739, - "L1": 1.33080814894222, + "a1": 122.001640673583, + "L4": 1.52602440225254, + "L5": 1.23137926020303, + "L2": 1.45456721689855, + "L3": 1.52997183301888, + "a7": 123.25884281699, + "L1": 1.32913529129929, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 76, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.290986112219, - "bs": 149.0, - "a2": 109.724834140017, - "a5": 121.203969633153, + "ss": "S", + "a3": 111.924278067323, + "bs": 132.0, + "a2": 110.29581564254, + "a5": 121.347999044411, "sidechain_LEU": null, - "chainIndex": 71, + "chainIndex": 155, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.610429437278 + "a4": 109.079984383043 } }, { "pk": 888, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.250421702651, - "psi": 174.39862588093, - "oldID": "73", - "bg": 0.0, + "sidechain_ASP": 58, + "a6": 117.169927914243, + "psi": 115.530850278163, + "oldID": "157", + "bg": 130.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.2997540344356, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 890, + "next": 889, "sidechain_SER": null, - "bm": 139.0, + "bm": 127.0, "xpr": false, "prev": 887, "terminal_flag": false, - "phi": -91.8297495463604, + "phi": -51.6411194621189, "chainID": "A", "sidechain_GLN": null, - "ome": -179.661383878279, - "chi2": null, + "ome": 179.544831604342, + "chi2": -66.0723276547576, "chi3": null, - "chi1": null, + "chi1": -51.3477149491442, "chi4": null, "chi5": null, - "a1": 120.614340290957, - "L4": 1.51183923815366, - "L5": 1.22979771216465, - "L2": 1.449434421372, - "L3": null, - "a7": 123.224813603399, - "L1": 1.32930007178982, + "a1": 122.428933921217, + "L4": 1.51349260237643, + "L5": 1.23043972653005, + "L2": 1.45455698793917, + "L3": 1.52654393880631, + "a7": 122.080501396568, + "L1": 1.32669875657888, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 115.010917418068, - "bs": 0.0, - "a2": null, - "a5": 121.524676458217, + "a3": 112.195859238801, + "bs": 130.0, + "a2": 110.234573060702, + "a5": 120.749436061709, "sidechain_LEU": null, - "chainIndex": 72, + "chainIndex": 156, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.460119598705 } }, { "pk": 889, "model": "pgd_core.residue", "fields": { - "aa": "g", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 51, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.123836276619, - "psi": 162.593150999582, - "oldID": "300", - "bg": 0.0, + "a6": 114.682334738579, + "psi": -13.1328882917121, + "oldID": "158", + "bg": 122.83, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 38.084134246402, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 891, + "next": 890, "sidechain_SER": null, - "bm": 15.0, + "bm": 120.0, "xpr": false, - "prev": 886, + "prev": 888, "terminal_flag": false, - "phi": -65.5675362099095, + "phi": -65.45745456448, "chainID": "A", "sidechain_GLN": null, - "ome": 178.146107810652, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.507775328785, + "chi2": -44.582726643888, + "chi3": 38.0148638757782, + "chi1": 33.4491301589503, + "chi4": -17.4897907945692, "chi5": null, - "a1": 120.737137959223, - "L4": 1.5173055444694, - "L5": 1.22684129267773, - "L2": 1.45409528404137, - "L3": null, - "a7": 122.748364083586, - "L1": 1.33324243810821, + "a1": 119.845620419023, + "L4": 1.5232241707812, + "L5": 1.23049931313789, + "L2": 1.46391775932354, + "L3": 1.52313854674943, + "a7": 123.63157888651, + "L1": 1.3386558547914, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 116.001076035561, - "bs": 0.0, - "a2": null, - "a5": 121.126917972055, + "omep": 6.37866819472457, + "ss": "T", + "a3": 106.679351731948, + "bs": 122.0, + "a2": 102.945377680678, + "a5": 121.685791052125, "sidechain_LEU": null, - "chainIndex": 299, + "chainIndex": 157, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 112.503922297814 } }, { "pk": 890, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.977381482061, - "psi": 10.4424794697057, - "oldID": "74", - "bg": 135.9, + "a6": 115.263810185093, + "psi": -49.8928618648825, + "oldID": "159", + "bg": 112.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0088193653404, + "zeta": 36.2242343392534, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 21, - "sidechain_THR": null, + "sidechain_MET": null, + "sidechain_THR": 42, "sidechain_TRP": null, - "next": 892, + "next": 891, "sidechain_SER": null, - "bm": 134.0, + "bm": 111.0, "xpr": false, - "prev": 888, + "prev": 889, "terminal_flag": false, - "phi": -67.4563171708536, + "phi": -59.3679042735544, "chainID": "A", "sidechain_GLN": null, - "ome": -179.935589431394, - "chi2": 170.030058111614, - "chi3": -83.50345773434, - "chi1": -55.891268688334, + "ome": 179.783197500658, + "chi2": null, + "chi3": null, + "chi1": -43.1688914641088, "chi4": null, "chi5": null, - "a1": 122.011614845984, - "L4": 1.52429623075229, - "L5": 1.2291925491225, - "L2": 1.45390240887813, - "L3": 1.53049532780323, - "a7": 122.727925838069, - "L1": 1.32662798695266, + "a1": 122.690049326483, + "L4": 1.5165801898864, + "L5": 1.22992234746501, + "L2": 1.45045571789329, + "L3": 1.52333603312427, + "a7": 123.445399287884, + "L1": 1.32817828735155, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 111.394400637058, - "bs": 136.0, - "a2": 110.000445813368, - "a5": 120.294209283547, + "a3": 107.918798827177, + "bs": 111.0, + "a2": 110.613905554948, + "a5": 121.289709846116, "sidechain_LEU": null, - "chainIndex": 73, + "chainIndex": 158, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.332568820251 + "a4": 107.77183195192 } }, { "pk": 891, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.676190216808, - "psi": 153.412990408083, - "oldID": "301", - "bg": 16.02, + "a6": 115.843408915802, + "psi": 155.670518544046, + "oldID": "160", + "bg": 102.58, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2649272961866, - "sidechain_PHE": 34, + "protein": "1TWF", + "zeta": 35.1035404384282, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 893, + "next": 892, "sidechain_SER": null, - "bm": 16.0, + "bm": 101.0, "xpr": false, - "prev": 889, + "prev": 890, "terminal_flag": false, - "phi": -82.9133776360165, + "phi": -90.7916758483299, "chainID": "A", - "sidechain_GLN": null, - "ome": 177.001935645627, - "chi2": -66.4427521660361, - "chi3": null, - "chi1": -52.5393579946997, + "sidechain_GLN": 38, + "ome": 179.463449563608, + "chi2": -176.831922832124, + "chi3": -57.9981221311681, + "chi1": -65.8702014031037, "chi4": null, "chi5": null, - "a1": 121.361130314034, - "L4": 1.53006667105505, - "L5": 1.22746556288999, - "L2": 1.45289031510161, - "L3": 1.52560393449024, - "a7": 123.0039925911, - "L1": 1.33034059806996, + "a1": 122.105617230569, + "L4": 1.52050632789572, + "L5": 1.23216186312778, + "L2": 1.45415263039955, + "L3": 1.52912483339613, + "a7": 123.407829311014, + "L1": 1.32718914792802, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 111.815301738998, - "bs": 15.0, - "a2": 109.852884946155, - "a5": 121.313898681261, + "ss": "S", + "a3": 110.43784387794, + "bs": 102.0, + "a2": 110.172978354122, + "a5": 120.748610627223, "sidechain_LEU": null, - "chainIndex": 300, + "chainIndex": 159, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.910463457974 + "a4": 109.300147476231 } }, { "pk": 892, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "l", "sidechain_PRO": null, - "sidechain_ASN": 35, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.37989200982, - "psi": -16.2424771474897, - "oldID": "75", - "bg": 130.67, + "a6": 115.714778914788, + "psi": 176.160087081552, + "oldID": "161", + "bg": 89.31, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3032444136522, + "zeta": 35.2335136432237, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 894, + "next": 893, "sidechain_SER": null, - "bm": 128.0, + "bm": 89.0, "xpr": false, - "prev": 890, + "prev": 891, "terminal_flag": false, - "phi": -132.578879248544, + "phi": -111.277986193743, "chainID": "A", "sidechain_GLN": null, - "ome": 179.244154766731, - "chi2": -60.7889746761222, + "ome": 179.334346150885, + "chi2": 174.970216735455, "chi3": null, - "chi1": -61.0343980136722, + "chi1": -64.5745830459254, "chi4": null, "chi5": null, - "a1": 121.198867181238, - "L4": 1.52461720655641, - "L5": 1.23219871092746, - "L2": 1.46217976535182, - "L3": 1.53116074983054, - "a7": 122.938610575419, - "L1": 1.33081588358082, + "a1": 122.127251395047, + "L4": 1.51522571847163, + "L5": 1.23050594892121, + "L2": 1.45795277522003, + "L3": 1.52941245160363, + "a7": 122.999697737306, + "L1": 1.32987149123146, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.541149210618, - "bs": 130.0, - "a2": 110.27764473237, - "a5": 120.68051029011, - "sidechain_LEU": null, - "chainIndex": 74, + "ss": "-", + "a3": 109.705038800709, + "bs": 89.0, + "a2": 110.643182726876, + "a5": 121.28510629506, + "sidechain_LEU": 71, + "chainIndex": 160, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.641061267817 + "a4": 108.84422911708 } }, { "pk": 893, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.056100689752, - "psi": 130.389077424018, - "oldID": "302", - "bg": 24.25, + "a6": 116.442834821812, + "psi": 130.696237634105, + "oldID": "162", + "bg": 81.76, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4600659252261, + "protein": "1TWF", + "zeta": 34.8720019904739, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 69, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 895, + "next": 894, "sidechain_SER": null, - "bm": 18.0, + "bm": 82.0, "xpr": false, - "prev": 891, + "prev": 892, "terminal_flag": false, - "phi": -80.0332606498539, + "phi": -145.133559770477, "chainID": "A", "sidechain_GLN": null, - "ome": -174.530762841346, - "chi2": 172.341311051295, - "chi3": -61.1412479098895, - "chi1": -166.553734891087, + "ome": -179.273994843704, + "chi2": null, + "chi3": null, + "chi1": 164.584413072003, "chi4": null, "chi5": null, - "a1": 122.244236498359, - "L4": 1.53708023306201, - "L5": 1.22114428020989, - "L2": 1.45552352056275, - "L3": 1.53510532965685, - "a7": 121.748469753653, - "L1": 1.32704805585839, + "a1": 121.331870877722, + "L4": 1.5108908896092, + "L5": 1.2249142182913, + "L2": 1.45033365691634, + "L3": 1.53297218530409, + "a7": 123.076637434217, + "L1": 1.32321718124572, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 77, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 105.129658951657, - "bs": 24.0, - "a2": 108.027887910864, - "a5": 120.1277896624, + "ss": "E", + "a3": 107.412633301159, + "bs": 82.0, + "a2": 111.35387095704, + "a5": 120.480030319791, "sidechain_LEU": null, - "chainIndex": 301, + "chainIndex": 161, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.209506658805 + "a4": 109.413616996817 } }, { "pk": 894, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.552621134024, - "psi": 23.711907364964, - "oldID": "76", - "bg": 121.21, + "a6": 115.26158421465, + "psi": 156.392044218136, + "oldID": "163", + "bg": 78.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5354095305129, + "zeta": 34.202349351442, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 896, - "sidechain_SER": null, - "bm": 120.0, + "next": 895, + "sidechain_SER": 35, + "bm": 79.0, "xpr": false, - "prev": 892, + "prev": 893, "terminal_flag": false, - "phi": -113.3254025119, + "phi": -82.2181266506927, "chainID": "A", "sidechain_GLN": null, - "ome": 179.9896284012, - "chi2": 75.1401398010809, - "chi3": 50.6333914902542, - "chi1": -45.6513471672741, + "ome": -179.833814993671, + "chi2": null, + "chi3": null, + "chi1": 41.2172241963558, "chi4": null, "chi5": null, - "a1": 121.450104606633, - "L4": 1.5312980885517, - "L5": 1.22998453374338, - "L2": 1.4575383430384, - "L3": 1.53437768957288, - "a7": 122.835844319737, - "L1": 1.33029046596048, + "a1": 120.841505046755, + "L4": 1.52736575322102, + "L5": 1.22813705887754, + "L2": 1.45173017524312, + "L3": 1.52463242614593, + "a7": 123.511634057052, + "L1": 1.32507333505104, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 78, + "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.209332089583, - "bs": 121.0, - "a2": 110.920436141231, - "a5": 120.611509280758, + "ss": "E", + "a3": 113.002642872565, + "bs": 78.0, + "a2": 109.678617473983, + "a5": 121.221377451661, "sidechain_LEU": null, - "chainIndex": 75, + "chainIndex": 162, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.410722191292 + "a4": 110.210327581144 } }, { @@ -117370,306 +105266,245 @@ "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.965522060699, - "psi": 150.045502191375, - "oldID": "303", - "bg": 16.9, + "a6": 116.928174940802, + "psi": -115.591556526429, + "oldID": "164", + "bg": 78.7, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.607121070177, + "protein": "1TWF", + "zeta": 35.0286647570308, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 897, + "next": 896, "sidechain_SER": null, - "bm": 19.0, + "bm": 80.0, "xpr": false, - "prev": 893, + "prev": 894, "terminal_flag": false, - "phi": -113.359283512147, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.964561831707, - "chi2": 157.858183168174, - "chi3": -164.446863890556, - "chi1": -74.0262352813274, - "chi4": -83.8399492452431, - "chi5": -1.1389571270682, - "a1": 121.199720615234, - "L4": 1.5190344163518, - "L5": 1.23453520510439, - "L2": 1.47118546757291, - "L3": 1.52204252560905, - "a7": 124.239166704176, - "L1": 1.32733364387939, - "sidechain_ARG": 46, + "phi": -144.288119381558, + "chainID": "A", + "sidechain_GLN": null, + "ome": 179.627358562103, + "chi2": 169.964826037212, + "chi3": -63.7633365435373, + "chi1": 35.7864651258517, + "chi4": -177.395326972033, + "chi5": 0.0661064337789579, + "a1": 123.556645497467, + "L4": 1.53001367947483, + "L5": 1.22824286061982, + "L2": 1.45763942694224, + "L3": 1.52926953130555, + "a7": 122.573412189298, + "L1": 1.3289895636371, + "sidechain_ARG": 43, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 114.168939283258, - "bs": 18.0, - "a2": 111.024357564288, - "a5": 120.774001573301, + "ss": "-", + "a3": 109.43054415178, + "bs": 79.0, + "a2": 109.742116087339, + "a5": 120.498107558084, "sidechain_LEU": null, - "chainIndex": 302, + "chainIndex": 163, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.818054553334 + "a4": 110.04662988998 } }, { "pk": 896, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.758254010256, - "psi": 124.780630305224, - "oldID": "77", - "bg": 110.54, - "sidechain_CYS": 15, + "a6": 115.891790323601, + "psi": 114.100576817578, + "oldID": "165", + "bg": 0.0, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6191849837347, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 898, + "next": 897, "sidechain_SER": null, - "bm": 111.0, + "bm": 86.0, "xpr": false, - "prev": 894, + "prev": 895, "terminal_flag": false, - "phi": -115.561711118103, + "phi": -60.0267048913922, "chainID": "A", "sidechain_GLN": null, - "ome": 179.558914509514, + "ome": -179.051267176682, "chi2": null, "chi3": null, - "chi1": 164.70910367239, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.184176490216, - "L4": 1.52667219301494, - "L5": 1.23399746092194, - "L2": 1.46278610338866, - "L3": 1.53099426170813, - "a7": 122.024316348117, - "L1": 1.33269445852283, + "a1": 120.670203886194, + "L4": 1.51353058992979, + "L5": 1.23658528858291, + "L2": 1.45309171964288, + "L3": null, + "a7": 123.418094423622, + "L1": 1.32855488886583, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 114.579672925935, - "bs": 111.0, - "a2": 110.49217279444, - "a5": 121.217366174531, + "a3": 112.149999231203, + "bs": 0.0, + "a2": null, + "a5": 120.688369927758, "sidechain_LEU": null, - "chainIndex": 76, + "chainIndex": 164, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.314190008306 + "a4": null } }, { "pk": 897, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 51, - "a6": 115.515527232148, - "psi": -179.345911221606, - "oldID": "304", - "bg": 18.08, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.649067729865, + "psi": 0.294931717168806, + "oldID": "166", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5098746726771, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 899, + "next": 898, "sidechain_SER": null, - "bm": 20.0, + "bm": 89.0, "xpr": false, - "prev": 895, + "prev": 896, "terminal_flag": false, - "phi": -84.1922167000996, + "phi": -60.4526409872357, "chainID": "A", "sidechain_GLN": null, - "ome": -176.061420917315, - "chi2": 21.8509598697684, + "ome": 179.592546400668, + "chi2": null, "chi3": null, - "chi1": 68.4159593667451, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.269487293398, - "L4": 1.52517148303898, - "L5": 1.2387495435407, - "L2": 1.45609952853268, - "L3": 1.54813693919326, - "a7": 123.86172737534, - "L1": 1.33207538310123, + "a1": 121.169350757186, + "L4": 1.52060408801262, + "L5": 1.23378232895802, + "L2": 1.45598178040561, + "L3": null, + "a7": 123.269698327384, + "L1": 1.33106362119309, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.609998216099, - "bs": 19.0, - "a2": 110.922219687146, - "a5": 120.622484474666, + "ss": "S", + "a3": 116.887724962755, + "bs": 0.0, + "a2": null, + "a5": 120.081063914617, "sidechain_LEU": null, - "chainIndex": 303, + "chainIndex": 165, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.606124619145 + "a4": null } }, { "pk": 898, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 43, + "aa": "c", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.597539245512, - "psi": 92.9881729744577, - "oldID": "78", - "bg": 106.66, - "sidechain_CYS": null, + "a6": 117.600817252466, + "psi": 150.891330321968, + "oldID": "167", + "bg": 82.85, + "sidechain_CYS": 28, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.7713661750364, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 900, - "sidechain_SER": null, - "bm": 105.0, - "xpr": false, - "prev": 896, - "terminal_flag": false, - "phi": -85.211306556754, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.235634310431, - "chi2": -42.1532628436663, - "chi3": 33.3256279717795, - "chi1": 34.1250355336821, - "chi4": -11.9378166528406, - "chi5": null, - "a1": 122.738577066049, - "L4": 1.53267857219145, - "L5": 1.23050326732401, - "L2": 1.46566227460479, - "L3": 1.52560177157924, - "a7": 123.049072904545, - "L1": 1.34028623729396, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -13.7451176189396, - "ss": "-", - "a3": 110.114300942238, - "bs": 106.0, - "a2": 102.797236527653, - "a5": 120.351684444615, - "sidechain_LEU": null, - "chainIndex": 77, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.527564819296 - } -}, -{ - "pk": 899, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.271939295597, - "psi": -24.5239115650442, - "oldID": "305", - "bg": 29.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6667231127617, + "zeta": 35.2330534887319, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 901, + "next": 899, "sidechain_SER": null, - "bm": 25.0, + "bm": 87.0, "xpr": false, "prev": 897, "terminal_flag": false, - "phi": -53.8022028364605, + "phi": -98.1580062280918, "chainID": "A", "sidechain_GLN": null, - "ome": -179.493530669989, - "chi2": 175.693355239653, - "chi3": 5.1269446315859, - "chi1": 53.1405775153389, + "ome": -179.243291201422, + "chi2": null, + "chi3": null, + "chi1": 171.065835501006, "chi4": null, "chi5": null, - "a1": 123.348777202826, - "L4": 1.52162976808578, - "L5": 1.24327563243998, - "L2": 1.47768929803207, - "L3": 1.54119457005846, - "a7": 123.209518422499, - "L1": 1.33629900021845, + "a1": 122.942830644079, + "L4": 1.52349819227727, + "L5": 1.22611399613442, + "L2": 1.46756479009577, + "L3": 1.52499128589746, + "a7": 122.432791363788, + "L1": 1.33272988186943, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 79, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.441214832167, - "bs": 30.0, - "a2": 110.541117123316, - "a5": 121.518040394581, + "ss": "-", + "a3": 110.312254103252, + "bs": 84.0, + "a2": 110.558747204084, + "a5": 119.96582515257, "sidechain_LEU": null, - "chainIndex": 304, + "chainIndex": 166, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.61663657634 + "a4": 108.591993651102 } }, { - "pk": 900, + "pk": 899, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -117677,9 +105512,9 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.871592106744, - "psi": 131.149063908379, - "oldID": "79", + "a6": 117.016328989709, + "psi": 11.4185191753474, + "oldID": "168", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, @@ -117691,1083 +105526,1083 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 902, + "next": 900, "sidechain_SER": null, - "bm": 99.0, + "bm": 84.0, "xpr": false, "prev": 898, "terminal_flag": false, - "phi": -29.9069469237393, + "phi": -139.424065925261, "chainID": "A", "sidechain_GLN": null, - "ome": 179.838754345301, + "ome": -179.242084893339, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.40171489372, - "L4": 1.52066114590963, - "L5": 1.23079696766008, - "L2": 1.45694429771666, + "a1": 119.189152244964, + "L4": 1.51626941447018, + "L5": 1.22916831484935, + "L2": 1.45285952430616, "L3": null, - "a7": 122.60705599384, - "L1": 1.33258638838703, + "a7": 122.759270729203, + "L1": 1.32968974517957, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 116.072577427652, + "a3": 117.717618541118, "bs": 0.0, "a2": null, - "a5": 120.521347132746, + "a5": 120.224009192257, "sidechain_LEU": null, - "chainIndex": 78, + "chainIndex": 167, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null } }, { - "pk": 901, + "pk": 900, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 36, - "chain": "1H0HA", + "sidechain_ASN": 29, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.721148695933, - "psi": -2.48490915779245, - "oldID": "306", - "bg": 30.95, + "a6": 115.652793898307, + "psi": 158.973481462226, + "oldID": "169", + "bg": 84.36, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8523845073208, + "protein": "1TWF", + "zeta": 34.3442161445077, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 903, + "next": 901, "sidechain_SER": null, - "bm": 25.0, + "bm": 85.0, "xpr": false, "prev": 899, "terminal_flag": false, - "phi": -94.7688663646914, + "phi": -64.9837834421105, "chainID": "A", "sidechain_GLN": null, - "ome": -179.118174040873, - "chi2": 122.071999369454, + "ome": -179.951244593035, + "chi2": -52.0467571763213, "chi3": null, - "chi1": -60.9490231621272, + "chi1": -57.7195555801078, "chi4": null, "chi5": null, - "a1": 122.071975556668, - "L4": 1.52345118715924, - "L5": 1.22467363185213, - "L2": 1.44059670159579, - "L3": 1.53571387891518, - "a7": 122.531226366996, - "L1": 1.32783360197393, + "a1": 121.268529581547, + "L4": 1.5201936489665, + "L5": 1.22817910124967, + "L2": 1.4556246715696, + "L3": 1.52647372647065, + "a7": 123.255218791793, + "L1": 1.32589201361411, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.283060776774, - "bs": 31.0, - "a2": 109.419845791601, - "a5": 120.739437769836, + "ss": "-", + "a3": 113.044350184037, + "bs": 84.0, + "a2": 110.044702317606, + "a5": 121.091977111473, "sidechain_LEU": null, - "chainIndex": 305, + "chainIndex": 168, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.329273183473 + "a4": 109.668796894143 } }, { - "pk": 902, + "pk": 901, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.745347888399, - "psi": 134.570743752963, - "oldID": "80", - "bg": 95.45, + "a6": 115.724065921232, + "psi": 166.649434254594, + "oldID": "170", + "bg": 87.33, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5687680347515, + "zeta": 34.8639342794342, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 43, "sidechain_TRP": null, - "next": 904, + "next": 902, "sidechain_SER": null, - "bm": 94.0, + "bm": 86.0, "xpr": false, "prev": 900, "terminal_flag": false, - "phi": -88.5955925378624, + "phi": -79.9402389477338, "chainID": "A", "sidechain_GLN": null, - "ome": -178.783253220433, + "ome": -179.238876790668, "chi2": null, "chi3": null, - "chi1": -52.02669188933, + "chi1": 43.9756578516053, "chi4": null, "chi5": null, - "a1": 121.234251759481, - "L4": 1.53108671730034, - "L5": 1.23040150417873, - "L2": 1.46326012481537, - "L3": 1.52783000623848, - "a7": 122.867481196922, - "L1": 1.33004148361894, + "a1": 122.313868472047, + "L4": 1.52516953052355, + "L5": 1.23150570285683, + "L2": 1.45770830917916, + "L3": 1.53739201527216, + "a7": 122.8979774871, + "L1": 1.32913783804568, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.945539500757, - "bs": 95.0, - "a2": 110.06678263896, - "a5": 120.386757748744, + "ss": "B", + "a3": 112.15516232137, + "bs": 86.0, + "a2": 111.300120825718, + "a5": 121.373633328525, "sidechain_LEU": null, - "chainIndex": 79, - "sidechain_HIS": 32, + "chainIndex": 169, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.188314557807 + "a4": 108.034893715448 } }, { - "pk": 903, + "pk": 902, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.487858724998, - "psi": 21.3405614748181, - "oldID": "307", - "bg": 0.0, + "a6": 117.393243407987, + "psi": 158.794156643402, + "oldID": "171", + "bg": 94.46, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 35.0965408113115, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 905, + "next": 903, "sidechain_SER": null, - "bm": 20.0, + "bm": 86.0, "xpr": false, "prev": 901, "terminal_flag": false, - "phi": 82.3974034646226, + "phi": -109.714784408137, "chainID": "A", - "sidechain_GLN": null, - "ome": 177.919612780297, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 39, + "ome": 179.819523640833, + "chi2": 51.0359595721436, + "chi3": 67.2584069145831, + "chi1": -118.910001179307, "chi4": null, "chi5": null, - "a1": 120.483227989075, - "L4": 1.51888093117258, - "L5": 1.22675340124754, - "L2": 1.44584733129162, - "L3": null, - "a7": 122.585065408088, - "L1": 1.32735569792559, + "a1": 121.935404341157, + "L4": 1.52556883666679, + "L5": 1.22770694673715, + "L2": 1.45318587918629, + "L3": 1.52483132462679, + "a7": 121.849703055128, + "L1": 1.32675949319379, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.814934863019, - "bs": 0.0, - "a2": null, - "a5": 119.926910587706, + "ss": "-", + "a3": 112.837544648077, + "bs": 94.0, + "a2": 108.952106392644, + "a5": 120.753604365964, "sidechain_LEU": null, - "chainIndex": 306, + "chainIndex": 170, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.771838779309 } }, { - "pk": 904, + "pk": 903, "model": "pgd_core.residue", "fields": { - "aa": "f", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 52, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.359709960013, - "psi": 141.109610339167, - "oldID": "81", - "bg": 89.78, + "a6": 116.659469799587, + "psi": 150.711805241107, + "oldID": "172", + "bg": 85.63, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.2369031745239, - "sidechain_PHE": 35, + "zeta": 38.5767427271704, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 906, + "next": 904, "sidechain_SER": null, - "bm": 89.0, + "bm": 85.0, "xpr": false, "prev": 902, "terminal_flag": false, - "phi": -71.6255407715374, + "phi": -98.5118227718204, "chainID": "A", "sidechain_GLN": null, - "ome": -179.464307150783, - "chi2": 79.6286696245334, - "chi3": null, - "chi1": -96.6045817355162, - "chi4": null, + "ome": 177.861118281834, + "chi2": -43.5061755973612, + "chi3": 29.4012844594007, + "chi1": 40.9353440939157, + "chi4": -3.44588210869649, "chi5": null, - "a1": 121.63808313596, - "L4": 1.52594951343373, - "L5": 1.2352255539747, - "L2": 1.46126721575052, - "L3": 1.53411195179952, - "a7": 123.82151705559, - "L1": 1.33233180794101, + "a1": 120.536340158722, + "L4": 1.52501140683078, + "L5": 1.2320461848693, + "L2": 1.46265890653935, + "L3": 1.52016252227073, + "a7": 122.89394131432, + "L1": 1.34320730699901, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -17.43057096101, "ss": "-", - "a3": 116.865266745861, - "bs": 89.0, - "a2": 110.748483116706, - "a5": 121.808970217407, + "a3": 111.383049479825, + "bs": 85.0, + "a2": 102.492513965934, + "a5": 120.445437181759, "sidechain_LEU": null, - "chainIndex": 80, + "chainIndex": 171, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.039058718538 + "a4": 111.419119461783 } }, { - "pk": 905, + "pk": 904, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "t", "sidechain_PRO": null, - "sidechain_ASN": 37, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.775756205451, - "psi": 143.716514447706, - "oldID": "308", - "bg": 16.34, + "a6": 115.260515536645, + "psi": 85.10967610317, + "oldID": "173", + "bg": 84.34, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9498945307179, + "protein": "1TWF", + "zeta": 34.9040448676425, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 44, "sidechain_TRP": null, - "next": 907, + "next": 905, "sidechain_SER": null, - "bm": 17.0, + "bm": 87.0, "xpr": false, "prev": 903, "terminal_flag": false, - "phi": -105.93050542511, + "phi": -91.3688226625293, "chainID": "A", "sidechain_GLN": null, - "ome": -179.377192580639, - "chi2": -49.7309785198873, + "ome": -178.063696889643, + "chi2": null, "chi3": null, - "chi1": -53.9002795316519, + "chi1": -56.1508774583319, "chi4": null, "chi5": null, - "a1": 120.065302154347, - "L4": 1.50599080649585, - "L5": 1.22930291583264, - "L2": 1.458680788222, - "L3": 1.53213987857467, - "a7": 123.517005871644, - "L1": 1.33241451874999, + "a1": 120.888134239705, + "L4": 1.51706068547635, + "L5": 1.22947004986814, + "L2": 1.455347322688, + "L3": 1.53718187921744, + "a7": 123.353215929783, + "L1": 1.32791422676384, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 107.624497290497, - "bs": 15.0, - "a2": 111.986465306605, - "a5": 119.680613111828, + "a3": 103.355588346479, + "bs": 85.0, + "a2": 111.944309268699, + "a5": 121.368866377191, "sidechain_LEU": null, - "chainIndex": 307, + "chainIndex": 172, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.084982234674 + "a4": 109.75269644064 } }, { - "pk": 906, + "pk": 905, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.386675172322, - "psi": -156.421573566508, - "oldID": "82", - "bg": 0.0, + "a6": 115.817247371626, + "psi": 130.163245170669, + "oldID": "174", + "bg": 89.88, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 47, "protein": "1TWF", - "zeta": null, + "zeta": 35.0304340444628, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 908, + "next": 906, "sidechain_SER": null, - "bm": 88.0, + "bm": 90.0, "xpr": false, "prev": 904, "terminal_flag": false, - "phi": -77.5752600708392, + "phi": -63.9089223049941, "chainID": "A", "sidechain_GLN": null, - "ome": -178.148711296159, - "chi2": null, + "ome": 177.961085075006, + "chi2": 164.61470645421, "chi3": null, - "chi1": null, + "chi1": -52.1211903142383, "chi4": null, "chi5": null, - "a1": 122.16165829828, - "L4": 1.51796591282973, - "L5": 1.22929485677415, - "L2": 1.44883887642733, - "L3": null, - "a7": 122.951948038978, - "L1": 1.33067205041534, + "a1": 122.655435193872, + "L4": 1.52185115469513, + "L5": 1.22985875183087, + "L2": 1.45013181376119, + "L3": 1.53817284197208, + "a7": 123.362478788927, + "L1": 1.32407671049176, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 115.844209231269, - "bs": 0.0, - "a2": null, - "a5": 121.652931648071, + "a3": 114.795244378698, + "bs": 90.0, + "a2": 109.965852645101, + "a5": 120.820034459342, "sidechain_LEU": null, - "chainIndex": 81, + "chainIndex": 173, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.40962974762 } }, { - "pk": 907, + "pk": 906, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 44, + "aa": "r", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.801545158366, - "psi": 133.047259403273, - "oldID": "309", - "bg": 15.63, + "a6": 116.059733100241, + "psi": 151.371346615696, + "oldID": "175", + "bg": 103.6, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.550028448628, + "protein": "1TWF", + "zeta": 33.826853243394, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 909, + "next": 907, "sidechain_SER": null, - "bm": 16.0, + "bm": 95.0, "xpr": false, "prev": 905, "terminal_flag": false, - "phi": -53.996749030723, + "phi": -132.326867950151, "chainID": "A", "sidechain_GLN": null, - "ome": 174.587810562147, - "chi2": 34.8657343026141, - "chi3": -28.6395399475289, - "chi1": -27.1140940242932, - "chi4": 11.2656330091882, - "chi5": null, - "a1": 121.703230952316, - "L4": 1.5145467324668, - "L5": 1.22901780066656, - "L2": 1.45893010926075, - "L3": 1.54097712820049, - "a7": 123.509486132688, - "L1": 1.3308406031755, - "sidechain_ARG": null, + "ome": -178.506113172266, + "chi2": -177.74459614643, + "chi3": -81.2846531934531, + "chi1": 29.4381664776214, + "chi4": -68.6414149705216, + "chi5": -0.147931548864996, + "a1": 122.442327914605, + "L4": 1.52572321614399, + "L5": 1.23091381832985, + "L2": 1.45747548830818, + "L3": 1.53505479719264, + "a7": 123.074771886493, + "L1": 1.33108081173423, + "sidechain_ARG": 44, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -0.238411405053744, - "ss": "B", - "a3": 109.639899215588, - "bs": 15.0, - "a2": 103.167355852999, - "a5": 119.671370046001, + "omep": null, + "ss": "E", + "a3": 107.96612213438, + "bs": 107.0, + "a2": 111.258708534167, + "a5": 120.859664669714, "sidechain_LEU": null, - "chainIndex": 308, + "chainIndex": 174, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.997811781177 + "a4": 110.831130948389 } }, { - "pk": 908, + "pk": 907, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.256603628924, - "psi": 140.755413757853, - "oldID": "83", - "bg": 87.28, + "a6": 115.978901321645, + "psi": 150.840857808506, + "oldID": "176", + "bg": 95.05, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.9462851869125, + "zeta": 35.0416940851984, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 52, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 910, + "next": 908, "sidechain_SER": null, - "bm": 85.0, + "bm": 95.0, "xpr": false, "prev": 906, "terminal_flag": false, - "phi": -166.077220529195, + "phi": -92.7869371768761, "chainID": "A", "sidechain_GLN": null, - "ome": -179.913363250764, - "chi2": null, - "chi3": null, - "chi1": 171.632590946722, - "chi4": null, + "ome": -179.725680647995, + "chi2": -179.27536196622, + "chi3": 179.07886025119, + "chi1": -173.582421088266, + "chi4": -179.631261033598, "chi5": null, - "a1": 122.504816622022, - "L4": 1.52235796755317, - "L5": 1.22985001888479, - "L2": 1.45509304294104, - "L3": 1.53056363645297, - "a7": 122.653525811839, - "L1": 1.32676154115054, + "a1": 122.682894393575, + "L4": 1.5223547893361, + "L5": 1.22844454822505, + "L2": 1.45578354683507, + "L3": 1.52488090228478, + "a7": 123.061334958902, + "L1": 1.32818339026016, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.808772120776, - "bs": 87.0, - "a2": 108.135357273937, - "a5": 120.089323145025, + "ss": "E", + "a3": 113.185032608005, + "bs": 95.0, + "a2": 108.871323408254, + "a5": 120.95471861367, "sidechain_LEU": null, - "chainIndex": 82, - "sidechain_HIS": 33, + "chainIndex": 175, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.765484868462 + "a4": 109.824931518968 } }, { - "pk": 909, + "pk": 908, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.987571851761, - "psi": 150.809937999759, - "oldID": "310", - "bg": 16.16, + "chain": "1TWFA", + "sidechain_ASP": 59, + "a6": 116.115565605571, + "psi": 63.8108905984411, + "oldID": "177", + "bg": 99.11, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7006191385303, + "protein": "1TWF", + "zeta": 35.1166585150195, "sidechain_PHE": null, - "sidechain_LYS": 52, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 911, + "next": 909, "sidechain_SER": null, - "bm": 17.0, + "bm": 95.0, "xpr": false, "prev": 907, "terminal_flag": false, - "phi": -68.5994641724216, + "phi": -148.204334180006, "chainID": "A", "sidechain_GLN": null, - "ome": 178.866594294293, - "chi2": -175.027901027543, - "chi3": -168.725207549692, - "chi1": -67.8152196103229, - "chi4": 175.439122170636, + "ome": -179.471587515122, + "chi2": -57.1808895569594, + "chi3": null, + "chi1": -141.21005685622, + "chi4": null, "chi5": null, - "a1": 120.859062168304, - "L4": 1.51701476845056, - "L5": 1.23679312854937, - "L2": 1.44703951882852, - "L3": 1.5249521401043, - "a7": 122.897964069035, - "L1": 1.32473257666081, + "a1": 121.803354124869, + "L4": 1.52277756624117, + "L5": 1.22978428608459, + "L2": 1.4551365912878, + "L3": 1.53226407481188, + "a7": 123.122901395459, + "L1": 1.32666521639389, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 108.840171864129, - "bs": 17.0, - "a2": 111.414054010284, - "a5": 121.076863819499, + "a3": 107.880904783476, + "bs": 99.0, + "a2": 109.806415187204, + "a5": 120.757350647549, "sidechain_LEU": null, - "chainIndex": 309, + "chainIndex": 176, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.579541213874 + "a4": 110.364257746554 } }, { - "pk": 910, + "pk": 909, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.79505610437, - "psi": 109.278483213762, - "oldID": "84", - "bg": 78.18, + "a6": 116.43129318726, + "psi": -105.605065297722, + "oldID": "178", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 47, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4666988585024, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 912, + "next": 910, "sidechain_SER": null, - "bm": 78.0, + "bm": 93.0, "xpr": false, "prev": 908, "terminal_flag": false, - "phi": -161.269929325092, + "phi": 88.3017916571966, "chainID": "A", "sidechain_GLN": null, - "ome": -178.763304031811, - "chi2": 175.793257340844, + "ome": -179.930877792708, + "chi2": null, "chi3": null, - "chi1": 171.939042635564, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.000869889371, - "L4": 1.51907724419534, - "L5": 1.22514420712322, - "L2": 1.46164688206529, - "L3": 1.54316099443235, - "a7": 122.730825564245, - "L1": 1.3280516083399, + "a1": 120.75883621817, + "L4": 1.51666086781329, + "L5": 1.23068664394793, + "L2": 1.45248712255862, + "L3": null, + "a7": 123.007143127503, + "L1": 1.33122977835941, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.933804995847, - "bs": 78.0, - "a2": 110.691147771385, - "a5": 120.471423393906, + "ss": "S", + "a3": 112.445075007869, + "bs": 0.0, + "a2": null, + "a5": 120.561340035047, "sidechain_LEU": null, - "chainIndex": 83, + "chainIndex": 177, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.978133168554 + "a4": null } }, { - "pk": 911, + "pk": 910, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.441785072095, - "psi": 140.056162268888, - "oldID": "311", - "bg": 19.71, + "a6": 116.784342663127, + "psi": 13.2797183676417, + "oldID": "179", + "bg": 89.61, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3165117156082, + "protein": "1TWF", + "zeta": 34.8407758606717, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 913, + "next": 911, "sidechain_SER": null, - "bm": 19.0, + "bm": 89.0, "xpr": false, "prev": 909, "terminal_flag": false, - "phi": -134.745417059637, - "chainID": "A", - "sidechain_GLN": null, - "ome": 170.458187246832, - "chi2": -169.657940482715, - "chi3": -55.6914190602802, - "chi1": -49.4712499412111, - "chi4": -89.955428611294, - "chi5": -1.19674095148355, - "a1": 120.94861634048, - "L4": 1.52506221160906, - "L5": 1.23608337363768, - "L2": 1.46130708806998, - "L3": 1.52402344623216, - "a7": 122.547971872459, - "L1": 1.33113868040553, - "sidechain_ARG": 47, + "phi": -108.323668013902, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.001404322325, + "chi2": 159.648292495244, + "chi3": null, + "chi1": -77.7673845253945, + "chi4": null, + "chi5": null, + "a1": 122.235685461259, + "L4": 1.52661419253871, + "L5": 1.22928459597677, + "L2": 1.46096417163979, + "L3": 1.53502859180587, + "a7": 122.638568601519, + "L1": 1.33028694788369, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 113.821972804721, - "bs": 21.0, - "a2": 110.513055625157, - "a5": 120.993886458885, - "sidechain_LEU": null, - "chainIndex": 310, + "ss": "S", + "a3": 111.287134500941, + "bs": 89.0, + "a2": 110.002161655548, + "a5": 120.573573506999, + "sidechain_LEU": 72, + "chainIndex": 178, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.889594783712 + "a4": 109.596445920471 } }, { - "pk": 912, + "pk": 911, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 52, - "a6": 115.920579485633, - "psi": 142.578592090705, - "oldID": "85", - "bg": 77.42, + "sidechain_ASP": null, + "a6": 116.543119314338, + "psi": 157.343563087474, + "oldID": "180", + "bg": 88.76, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2962513705216, + "zeta": 35.0249604417867, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 53, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 914, + "next": 912, "sidechain_SER": null, - "bm": 74.0, + "bm": 84.0, "xpr": false, "prev": 910, "terminal_flag": false, - "phi": -76.5484663083056, + "phi": -131.023094950645, "chainID": "A", "sidechain_GLN": null, - "ome": 179.621731471306, - "chi2": -50.8335434350446, - "chi3": null, - "chi1": -59.9317913891978, - "chi4": null, + "ome": 178.46871262824, + "chi2": -173.340039373506, + "chi3": 178.2213369926, + "chi1": -51.9474963044292, + "chi4": -170.922045980149, "chi5": null, - "a1": 121.125791378475, - "L4": 1.52403348013935, - "L5": 1.23182947627323, - "L2": 1.45793223005108, - "L3": 1.53056434944323, - "a7": 123.047625294031, - "L1": 1.32936908381829, + "a1": 120.835721276617, + "L4": 1.52692068323517, + "L5": 1.23259904603511, + "L2": 1.45742200501392, + "L3": 1.53359494692809, + "a7": 122.665275665831, + "L1": 1.32918579925488, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.947325727246, - "bs": 77.0, - "a2": 110.47900580604, - "a5": 121.031673810263, + "ss": "-", + "a3": 113.184048351183, + "bs": 90.0, + "a2": 109.28324188712, + "a5": 120.790444805013, "sidechain_LEU": null, - "chainIndex": 84, + "chainIndex": 179, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.336848681122 + "a4": 109.497341448378 } }, { - "pk": 913, + "pk": 912, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 53, - "a6": 116.120380413154, - "psi": 98.6275789325841, - "oldID": "312", - "bg": 20.68, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 117.144915791017, + "psi": 138.386055676628, + "oldID": "181", + "bg": 76.87, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0727823342598, + "protein": "1TWF", + "zeta": 34.5437097511734, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 915, + "next": 913, "sidechain_SER": null, - "bm": 20.0, + "bm": 77.0, "xpr": false, "prev": 911, "terminal_flag": false, - "phi": -116.093524915772, + "phi": -117.408932687783, "chainID": "A", "sidechain_GLN": null, - "ome": -177.956978001076, - "chi2": 20.918762092519, + "ome": -179.968891899985, + "chi2": 178.869057010928, "chi3": null, - "chi1": 166.843300355696, + "chi1": -62.564829128828, "chi4": null, "chi5": null, - "a1": 121.751619415946, - "L4": 1.52266742030344, - "L5": 1.23833919023063, - "L2": 1.46512288865814, - "L3": 1.52412647723782, - "a7": 122.498606164384, - "L1": 1.33216378399296, + "a1": 120.952057035845, + "L4": 1.52532164748329, + "L5": 1.22760305179586, + "L2": 1.45602255779343, + "L3": 1.5291719178456, + "a7": 122.455911835942, + "L1": 1.32928383991304, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 105.387379658067, - "bs": 20.0, - "a2": 112.710207800987, - "a5": 121.378587251991, - "sidechain_LEU": null, - "chainIndex": 311, + "ss": "E", + "a3": 108.798552882721, + "bs": 76.0, + "a2": 110.607959061247, + "a5": 120.395965918118, + "sidechain_LEU": 73, + "chainIndex": 180, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.516997643253 + "a4": 110.108121274416 } }, { - "pk": 914, + "pk": 913, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.998385390324, - "psi": 135.32944426329, - "oldID": "86", - "bg": 69.31, + "a6": 116.626169738875, + "psi": 134.876792796905, + "oldID": "182", + "bg": 76.64, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5493059184339, + "zeta": 34.5569688186149, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 70, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 916, + "next": 914, "sidechain_SER": null, - "bm": 70.0, + "bm": 76.0, "xpr": false, "prev": 912, "terminal_flag": false, - "phi": -100.52901803225, + "phi": -122.317769563312, "chainID": "A", "sidechain_GLN": null, - "ome": -179.164675577257, - "chi2": -173.302857687726, + "ome": -179.614189299621, + "chi2": null, "chi3": null, - "chi1": -57.8462786475322, + "chi1": -173.014212037384, "chi4": null, "chi5": null, - "a1": 121.953587223819, - "L4": 1.52203983526505, - "L5": 1.23315798386106, - "L2": 1.45905661741337, - "L3": 1.53182767011397, - "a7": 122.985413392097, - "L1": 1.32942555357294, + "a1": 120.824457759708, + "L4": 1.52930227911161, + "L5": 1.23019343973718, + "L2": 1.4622917890864, + "L3": 1.55543965550424, + "a7": 122.484440371408, + "L1": 1.32803146061066, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 110.320465768137, - "bs": 69.0, - "a2": 110.64039746785, - "a5": 121.015512805677, - "sidechain_LEU": 73, - "chainIndex": 85, + "a3": 110.729168396649, + "bs": 76.0, + "a2": 111.058323466231, + "a5": 120.889389798773, + "sidechain_LEU": null, + "chainIndex": 181, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.656287976482 + "a4": 109.313781506952 } }, { - "pk": 915, + "pk": 914, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.33752650881, - "psi": -6.46727519104838, - "oldID": "313", - "bg": 29.5, + "a6": 116.886412336708, + "psi": 132.908100359622, + "oldID": "183", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 29.4494647896568, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 917, + "next": 915, "sidechain_SER": null, - "bm": 22.0, + "bm": 78.0, "xpr": false, "prev": 913, "terminal_flag": false, - "phi": -70.5986484298126, + "phi": -111.427625075399, "chainID": "A", "sidechain_GLN": null, - "ome": 173.523965568139, - "chi2": 177.636041426034, - "chi3": -2.02189090858644, - "chi1": -66.307161427971, + "ome": 179.543630294689, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.851487001173, - "L4": 1.52830106305994, - "L5": 1.2342289796946, - "L2": 1.46037667866, - "L3": 1.52784626564769, - "a7": 122.551100889387, - "L1": 1.3246225083557, + "a1": 119.873072704679, + "L4": 1.51331879614033, + "L5": 1.22742451986797, + "L2": 1.45138166584503, + "L3": null, + "a7": 122.876142145813, + "L1": 1.32849265238548, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 80, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.355398370533, - "bs": 31.0, - "a2": 111.056186382517, - "a5": 120.111152597378, + "ss": "E", + "a3": 113.285004720848, + "bs": 0.0, + "a2": null, + "a5": 120.237444974509, "sidechain_LEU": null, - "chainIndex": 312, + "chainIndex": 182, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.91391085627 + "a4": null } }, { - "pk": 916, + "pk": 915, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.7760413027, - "psi": -32.3834183688741, - "oldID": "87", - "bg": 0.0, + "a6": 116.132848853331, + "psi": 124.074892970425, + "oldID": "184", + "bg": 85.29, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.582501280642, + "zeta": 34.1883414720088, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 918, - "sidechain_SER": null, - "bm": 66.0, + "next": 916, + "sidechain_SER": 36, + "bm": 86.0, "xpr": false, "prev": 914, "terminal_flag": false, - "phi": -63.0123615259084, + "phi": -111.104951102644, "chainID": "A", "sidechain_GLN": null, - "ome": -179.296606928677, + "ome": -179.269726957688, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 61.6902592422111, "chi4": null, "chi5": null, - "a1": 121.516865147523, - "L4": 1.51784871912969, - "L5": 1.22923387002974, - "L2": 1.45422851134543, - "L3": 1.50625469151635, - "a7": 123.262713383611, - "L1": 1.32693702509394, + "a1": 121.711604119835, + "L4": 1.52881836445086, + "L5": 1.23099433180235, + "L2": 1.46058293843501, + "L3": 1.5341629176975, + "a7": 122.910908555764, + "L1": 1.33095278057049, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 111.382738425721, - "bs": 68.0, - "a2": 109.685049892338, - "a5": 120.960491780149, + "a3": 110.584616469687, + "bs": 85.0, + "a2": 110.675532134838, + "a5": 120.9560482173, "sidechain_LEU": null, - "chainIndex": 86, + "chainIndex": 183, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.004496496164 + "a4": 110.03978252181 } }, { - "pk": 917, + "pk": 916, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.941285602904, - "psi": -11.4016364637384, - "oldID": "314", - "bg": 19.64, + "a6": 116.113013173919, + "psi": 164.784253809604, + "oldID": "185", + "bg": 89.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8537836576696, + "protein": "1TWF", + "zeta": 34.7065563391369, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 44, - "sidechain_TRP": null, - "next": 919, + "sidechain_THR": null, + "sidechain_TRP": 6, + "next": 917, "sidechain_SER": null, - "bm": 19.0, + "bm": 97.0, "xpr": false, "prev": 915, "terminal_flag": false, - "phi": -82.5618917976426, + "phi": -102.970595442159, "chainID": "A", "sidechain_GLN": null, - "ome": 179.464715905469, - "chi2": null, + "ome": 179.90834312742, + "chi2": -89.4500280797186, "chi3": null, - "chi1": 69.5921554759551, + "chi1": -84.8145338098822, "chi4": null, "chi5": null, - "a1": 119.675707762882, - "L4": 1.50920622581864, - "L5": 1.21479683598937, - "L2": 1.44996185794908, - "L3": 1.53851759314411, - "a7": 123.251234574099, - "L1": 1.32625403220334, + "a1": 122.30220892657, + "L4": 1.5208740936532, + "L5": 1.22806555347889, + "L2": 1.45790184396672, + "L3": 1.52767287456786, + "a7": 122.976037614265, + "L1": 1.32917208357147, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 109.488936418918, - "bs": 20.0, - "a2": 112.567420402482, - "a5": 119.782084092043, + "ss": "E", + "a3": 113.219648306987, + "bs": 87.0, + "a2": 109.343240477227, + "a5": 120.910923591169, "sidechain_LEU": null, - "chainIndex": 313, + "chainIndex": 184, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.695683470248 + "a4": 109.82283320678 } }, { - "pk": 918, + "pk": 917, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -118775,1463 +106610,1463 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.169352470082, - "psi": 154.684488136977, - "oldID": "88", - "bg": 71.07, + "a6": 116.688454581847, + "psi": 179.78287594458, + "oldID": "186", + "bg": 117.23, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.9159901732139, + "zeta": 34.8164126412535, "sidechain_PHE": null, - "sidechain_LYS": 53, + "sidechain_LYS": 54, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 920, + "next": 918, "sidechain_SER": null, - "bm": 64.0, + "bm": 115.0, "xpr": false, "prev": 916, "terminal_flag": false, - "phi": -139.499148150202, + "phi": 178.212043623625, "chainID": "A", "sidechain_GLN": null, - "ome": 179.647032866134, - "chi2": -78.0134407670719, - "chi3": -174.907466715341, - "chi1": -63.1785941514312, - "chi4": 172.022496837051, + "ome": 179.673829756304, + "chi2": 165.786441451495, + "chi3": -63.2452172013552, + "chi1": -166.465515101819, + "chi4": 176.539045556522, "chi5": null, - "a1": 121.877465021979, - "L4": 1.51539123184527, - "L5": 1.231367480627, - "L2": 1.45569871423153, - "L3": 1.53308643834811, - "a7": 122.455294082897, - "L1": 1.32653446388357, + "a1": 121.664768514424, + "L4": 1.52620963043484, + "L5": 1.23246661614644, + "L2": 1.45862042390434, + "L3": 1.5354999829808, + "a7": 122.771002583116, + "L1": 1.32819746413542, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.570353063556, - "bs": 72.0, - "a2": 110.179788756983, - "a5": 120.3746964793, + "ss": "-", + "a3": 108.928550195536, + "bs": 117.0, + "a2": 109.815118027694, + "a5": 120.536462544365, "sidechain_LEU": null, - "chainIndex": 87, + "chainIndex": 185, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.645414317132 + "a4": 110.522502928263 } }, { - "pk": 919, + "pk": 918, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.259924733091, - "psi": 30.7300200988322, - "oldID": "315", - "bg": 16.84, + "a6": 115.704609498336, + "psi": 84.6631426782043, + "oldID": "187", + "bg": 133.18, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7704653377456, + "protein": "1TWF", + "zeta": 34.6089292059231, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 55, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 921, + "next": 919, "sidechain_SER": null, - "bm": 19.0, + "bm": 133.0, "xpr": false, "prev": 917, "terminal_flag": false, - "phi": 62.2531710068387, + "phi": -128.262037658978, "chainID": "A", "sidechain_GLN": null, - "ome": -176.250320771785, - "chi2": -175.150785155623, - "chi3": null, - "chi1": -49.4469842107493, - "chi4": null, + "ome": -179.250572045328, + "chi2": -175.377315796707, + "chi3": 174.028456804771, + "chi1": -65.2980559847415, + "chi4": -177.326691140864, "chi5": null, - "a1": 121.854116601678, - "L4": 1.53565588073345, - "L5": 1.23585931040213, - "L2": 1.46659917617706, - "L3": 1.53445563685719, - "a7": 121.74411900344, - "L1": 1.32890390130319, + "a1": 121.698170955252, + "L4": 1.52348167718548, + "L5": 1.2336590406355, + "L2": 1.46111796421796, + "L3": 1.53127488124459, + "a7": 123.640850089414, + "L1": 1.32854883468939, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 112.842417515544, - "bs": 17.0, - "a2": 110.838132334853, - "a5": 120.99112737758, - "sidechain_LEU": 74, - "chainIndex": 314, + "a3": 110.089424112857, + "bs": 133.0, + "a2": 110.45346095077, + "a5": 120.654132996772, + "sidechain_LEU": null, + "chainIndex": 186, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.654291618246 + "a4": 109.798522326964 } }, { - "pk": 920, + "pk": 919, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 45, + "aa": "d", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.28144400892, - "psi": 151.916337300521, - "oldID": "89", - "bg": 63.55, + "sidechain_ASP": 60, + "a6": 115.429059459668, + "psi": 131.351470423414, + "oldID": "188", + "bg": 147.39, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.8146090864081, + "zeta": 33.696750469972, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 922, + "next": 920, "sidechain_SER": null, - "bm": 61.0, + "bm": 146.0, "xpr": false, "prev": 918, "terminal_flag": false, - "phi": -67.0978385078839, + "phi": 71.370146754774, "chainID": "A", "sidechain_GLN": null, - "ome": -178.772393641768, - "chi2": -45.192059140978, - "chi3": 39.3145917005238, - "chi1": 32.9867002832322, - "chi4": -18.9808901270256, + "ome": -178.847199657187, + "chi2": -62.6050653359854, + "chi3": null, + "chi1": -65.3457682829727, + "chi4": null, "chi5": null, - "a1": 121.230068375677, - "L4": 1.52295386953075, - "L5": 1.22794712791575, - "L2": 1.46176694090592, - "L3": 1.52155699259605, - "a7": 122.88903753089, - "L1": 1.34470705037135, + "a1": 122.919321524188, + "L4": 1.53248848896067, + "L5": 1.23481899315594, + "L2": 1.46001609684889, + "L3": 1.53798033986758, + "a7": 123.398125530901, + "L1": 1.33101537369995, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 1.56353052410127, - "ss": "E", - "a3": 109.334712677163, - "bs": 62.0, - "a2": 102.903861113896, - "a5": 120.826649348453, + "omep": null, + "ss": "S", + "a3": 111.144103312527, + "bs": 147.0, + "a2": 110.443579975213, + "a5": 121.172328468815, "sidechain_LEU": null, - "chainIndex": 88, + "chainIndex": 187, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.533583912028 + "a4": 110.820607685818 } }, { - "pk": 921, + "pk": 920, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.296739012774, - "psi": -26.461255565737, - "oldID": "316", - "bg": 21.34, + "a6": 115.696753860928, + "psi": 125.140916822369, + "oldID": "189", + "bg": 156.7, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3619517757867, + "protein": "1TWF", + "zeta": 34.6347804096242, "sidechain_PHE": null, - "sidechain_LYS": 54, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 923, + "next": 921, "sidechain_SER": null, - "bm": 20.0, + "bm": 153.0, "xpr": false, "prev": 919, "terminal_flag": false, - "phi": -108.324395448257, + "phi": -65.6981553642138, "chainID": "A", "sidechain_GLN": null, - "ome": 179.886186281509, - "chi2": 169.619364321749, - "chi3": 112.343403349622, - "chi1": -58.7652283436491, - "chi4": 81.5199725272704, - "chi5": null, - "a1": 119.359960853052, - "L4": 1.52147798064323, - "L5": 1.22899630945862, - "L2": 1.45335762715077, - "L3": 1.52778040531315, - "a7": 123.760035969759, - "L1": 1.32109185716543, - "sidechain_ARG": null, + "ome": 179.11141679199, + "chi2": 176.681438395488, + "chi3": -176.509051804407, + "chi1": -54.9055489459218, + "chi4": 179.555426936512, + "chi5": -0.0661926256283265, + "a1": 123.161142255414, + "L4": 1.52650923352191, + "L5": 1.22985149928996, + "L2": 1.45970237074507, + "L3": 1.53091327604846, + "a7": 123.347136592275, + "L1": 1.33063310711491, + "sidechain_ARG": 45, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.980231215832, - "bs": 21.0, - "a2": 110.239773680256, - "a5": 119.915547914976, + "ss": "S", + "a3": 114.852000936364, + "bs": 158.0, + "a2": 109.316402444715, + "a5": 120.954562773251, "sidechain_LEU": null, - "chainIndex": 315, + "chainIndex": 188, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.159583042206 + "a4": 109.412628385042 } }, { - "pk": 922, + "pk": 921, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.567444628108, - "psi": 128.911306267659, - "oldID": "90", - "bg": 61.4, + "a6": 116.61964375328, + "psi": 70.5217434885058, + "oldID": "190", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.7974825676684, + "zeta": 33.9571971195063, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 69, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 924, + "next": 922, "sidechain_SER": null, - "bm": 61.0, + "bm": 156.0, "xpr": false, "prev": 920, "terminal_flag": false, - "phi": -140.577526261736, + "phi": 56.6970358676524, "chainID": "A", "sidechain_GLN": null, - "ome": 178.201438765078, + "ome": 178.820347583279, "chi2": null, "chi3": null, - "chi1": 170.972673535476, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.15703923034, - "L4": 1.5263711306265, - "L5": 1.23158553357805, - "L2": 1.45214359893985, - "L3": 1.53314533516954, - "a7": 122.866119745229, - "L1": 1.32365685949625, + "a1": 122.848350921809, + "L4": 1.52786324750298, + "L5": 1.23359051607314, + "L2": 1.46009008574849, + "L3": 1.53060567769238, + "a7": 122.893923301617, + "L1": 1.33052016103095, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.482263323014, - "bs": 60.0, - "a2": 109.899645395853, - "a5": 120.564924266082, + "ss": "S", + "a3": 115.067294941644, + "bs": 156.0, + "a2": 109.737073043177, + "a5": 120.485318565739, "sidechain_LEU": null, - "chainIndex": 89, + "chainIndex": 189, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.037759234528 + "a4": 109.785282073898 } }, { - "pk": 923, + "pk": 922, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.250694313053, - "psi": 129.598036711498, - "oldID": "317", - "bg": 24.52, + "a6": 116.715160840036, + "psi": 157.247993432253, + "oldID": "191", + "bg": 156.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9545101791699, + "protein": "1TWF", + "zeta": 34.4075174733622, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 45, "sidechain_TRP": null, - "next": 925, + "next": 923, "sidechain_SER": null, - "bm": 19.0, + "bm": 157.0, "xpr": false, "prev": 921, "terminal_flag": false, - "phi": -49.3341697566434, + "phi": -149.108213716951, "chainID": "A", "sidechain_GLN": null, - "ome": -176.192515136302, + "ome": -179.638693312415, "chi2": null, "chi3": null, - "chi1": -168.557097228682, + "chi1": -49.7798665383183, "chi4": null, "chi5": null, - "a1": 122.551228287872, - "L4": 1.53694082328789, - "L5": 1.22646580668571, - "L2": 1.46447788557159, - "L3": 1.53091805098433, - "a7": 121.847289238709, - "L1": 1.32911266774277, + "a1": 121.94089779068, + "L4": 1.53253171679329, + "L5": 1.23110316034038, + "L2": 1.46405025595533, + "L3": 1.54905401596088, + "a7": 122.787300508443, + "L1": 1.33080843189391, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.52106672993, - "bs": 25.0, - "a2": 108.39646857356, - "a5": 119.892451841132, + "ss": "-", + "a3": 109.353475503738, + "bs": 156.0, + "a2": 111.815618212261, + "a5": 120.49609982877, "sidechain_LEU": null, - "chainIndex": 316, - "sidechain_HIS": 34, + "chainIndex": 190, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.681663708507 + "a4": 109.066588949493 } }, { - "pk": 924, + "pk": 923, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.545843845927, - "psi": 138.980546037128, - "oldID": "91", - "bg": 58.56, + "a6": 116.368935700733, + "psi": 161.064882255204, + "oldID": "192", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.5502698312881, - "sidechain_PHE": 36, + "zeta": null, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 926, + "next": 924, "sidechain_SER": null, - "bm": 58.0, + "bm": 155.0, "xpr": false, "prev": 922, "terminal_flag": false, - "phi": -56.9552484652346, + "phi": -73.5783441909429, "chainID": "A", "sidechain_GLN": null, - "ome": 177.56127864714, - "chi2": -38.6570605860931, + "ome": -179.868485815364, + "chi2": null, "chi3": null, - "chi1": -77.546041598941, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.042174180084, - "L4": 1.52457265014106, - "L5": 1.23489089849791, - "L2": 1.45628881627142, - "L3": 1.53801900860891, - "a7": 122.62138287438, - "L1": 1.32790601023255, + "a1": 121.031066451643, + "L4": 1.52054388200289, + "L5": 1.2303189101813, + "L2": 1.45589597756217, + "L3": null, + "a7": 123.101621537037, + "L1": 1.3314990756317, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.377985406562, - "bs": 59.0, - "a2": 111.400195882945, - "a5": 120.82463397735, + "ss": "T", + "a3": 114.12543709537, + "bs": 0.0, + "a2": null, + "a5": 120.528896174613, "sidechain_LEU": null, - "chainIndex": 90, + "chainIndex": 191, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.000665120264 + "a4": null } }, { - "pk": 925, + "pk": 924, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 46, + "aa": "d", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.946149361741, - "psi": -17.7644783504243, - "oldID": "318", - "bg": 19.83, + "chain": "1TWFA", + "sidechain_ASP": 61, + "a6": 116.212049052269, + "psi": 32.2538745228394, + "oldID": "193", + "bg": 152.68, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.0007644658956, + "protein": "1TWF", + "zeta": 34.233600279592, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 927, + "next": 925, "sidechain_SER": null, - "bm": 19.0, + "bm": 152.0, "xpr": false, "prev": 923, "terminal_flag": false, - "phi": -61.1120906398932, + "phi": 51.8082693905466, "chainID": "A", "sidechain_GLN": null, - "ome": 175.266927721642, - "chi2": -40.8577167394196, - "chi3": 39.095013299695, - "chi1": 26.1763717569145, - "chi4": -23.3710665463101, + "ome": 179.838053966053, + "chi2": -63.9964766942458, + "chi3": null, + "chi1": -82.1404300917306, + "chi4": null, "chi5": null, - "a1": 120.739158772054, - "L4": 1.53611825254358, - "L5": 1.22352445556805, - "L2": 1.46930583681414, - "L3": 1.53867143705183, - "a7": 122.983801030007, - "L1": 1.33083437474367, + "a1": 122.587559835775, + "L4": 1.5270640499475, + "L5": 1.23344095263089, + "L2": 1.46547778132373, + "L3": 1.53139764898705, + "a7": 123.037901496276, + "L1": 1.33237373684489, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 3.51797260558763, + "omep": null, "ss": "T", - "a3": 113.044781032642, - "bs": 20.0, - "a2": 103.391244917286, - "a5": 118.066697080132, + "a3": 113.020361921962, + "bs": 152.0, + "a2": 110.466310914925, + "a5": 120.748539650889, "sidechain_LEU": null, - "chainIndex": 317, + "chainIndex": 192, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.185205729278 + "a4": 109.359220846658 } }, { - "pk": 926, + "pk": 925, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.78693209763, - "psi": 127.078218949114, - "oldID": "92", - "bg": 57.34, + "a6": 116.122714580776, + "psi": 14.0081797325673, + "oldID": "194", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8720969896396, + "zeta": 34.4614071589058, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 930, + "next": 926, "sidechain_SER": null, - "bm": 57.0, + "bm": 148.0, "xpr": false, "prev": 924, "terminal_flag": false, - "phi": -85.9842003109336, + "phi": -166.502362280241, "chainID": "A", "sidechain_GLN": null, - "ome": -178.323281967528, + "ome": 179.944469040942, "chi2": null, "chi3": null, - "chi1": 174.043758501258, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.638744807349, - "L4": 1.52162521648534, - "L5": 1.22620072319502, - "L2": 1.45288196660272, - "L3": 1.52588058750537, - "a7": 122.456154637258, - "L1": 1.32730224219478, + "a1": 121.946419952201, + "L4": 1.52792459729395, + "L5": 1.23227214895121, + "L2": 1.45932406120573, + "L3": 1.52587125734796, + "a7": 123.083882132594, + "L1": 1.32989636890597, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 104.872396118869, - "bs": 57.0, - "a2": 110.310744338308, - "a5": 120.75437731991, + "ss": "S", + "a3": 111.054737140323, + "bs": 149.0, + "a2": 109.924142743585, + "a5": 120.79335614253, "sidechain_LEU": null, - "chainIndex": 91, - "sidechain_HIS": 35, + "chainIndex": 193, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.930859165485 + "a4": 110.179536394779 } }, { - "pk": 927, + "pk": 926, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.370250311589, - "psi": 11.7800830804813, - "oldID": "319", - "bg": 19.68, + "chain": "1TWFA", + "sidechain_ASP": 62, + "a6": 116.133099894866, + "psi": 169.986011397982, + "oldID": "195", + "bg": 145.91, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.9109952978595, + "protein": "1TWF", + "zeta": 34.8089654757524, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 928, + "next": 927, "sidechain_SER": null, - "bm": 18.0, + "bm": 143.0, "xpr": false, "prev": 925, "terminal_flag": false, - "phi": -109.370747954457, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.6070176765, - "chi2": -179.105403103349, - "chi3": -71.5049329885154, - "chi1": -78.2034442967606, - "chi4": 109.564201772872, - "chi5": 0.0744995877466736, - "a1": 120.774391100721, - "L4": 1.53577682990065, - "L5": 1.23648687768501, - "L2": 1.4753867588805, - "L3": 1.52964751189677, - "a7": 121.569251105396, - "L1": 1.33057137329264, - "sidechain_ARG": 48, + "phi": -76.2182578971327, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.916712178881, + "chi2": -64.4691978406959, + "chi3": null, + "chi1": -69.9185271164235, + "chi4": null, + "chi5": null, + "a1": 121.907029636322, + "L4": 1.52732077676227, + "L5": 1.23196439650433, + "L2": 1.45916297932632, + "L3": 1.53227704985837, + "a7": 123.226220409666, + "L1": 1.32953702966169, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.250333455372, - "bs": 18.0, - "a2": 111.618021991854, - "a5": 121.052339800105, + "ss": "-", + "a3": 111.367720350134, + "bs": 145.0, + "a2": 110.209119980845, + "a5": 120.64066987194, "sidechain_LEU": null, - "chainIndex": 318, + "chainIndex": 194, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.707703609889 + "a4": 109.382854410185 } }, { - "pk": 928, + "pk": 927, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.632584808185, - "psi": 151.331357594877, - "oldID": "320", - "bg": 16.13, - "sidechain_CYS": 16, + "a6": 117.208686045154, + "psi": 130.090012082132, + "oldID": "196", + "bg": 139.43, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.1251240884841, + "protein": "1TWF", + "zeta": 34.1540647552957, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 929, + "next": 928, "sidechain_SER": null, - "bm": 15.0, + "bm": 136.0, "xpr": false, - "prev": 927, + "prev": 926, "terminal_flag": false, - "phi": -75.3616455223122, + "phi": 67.0954287542845, "chainID": "A", "sidechain_GLN": null, - "ome": -177.957362723993, - "chi2": null, - "chi3": null, - "chi1": 72.7856716315935, + "ome": -179.743182648516, + "chi2": 166.34362532356, + "chi3": 57.1596604886383, + "chi1": -175.620647029764, "chi4": null, "chi5": null, - "a1": 118.034713431421, - "L4": 1.50820389030094, - "L5": 1.23562973896094, - "L2": 1.45517153695641, - "L3": 1.53943716476924, - "a7": 124.431340317092, - "L1": 1.32652194550711, + "a1": 122.636330654448, + "L4": 1.53206610827945, + "L5": 1.230469450993, + "L2": 1.46168573551299, + "L3": 1.53577635192504, + "a7": 121.902417733575, + "L1": 1.3308773376762, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 76, "omep": null, - "ss": "B", - "a3": 105.120580271954, - "bs": 16.0, - "a2": 114.319167911307, - "a5": 120.928803292646, + "ss": "S", + "a3": 110.476639465645, + "bs": 139.0, + "a2": 109.881208501932, + "a5": 120.881280103831, "sidechain_LEU": null, - "chainIndex": 319, + "chainIndex": 195, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.411394040655 + "a4": 110.917705082834 } }, { - "pk": 929, + "pk": 928, "model": "pgd_core.residue", "fields": { - "aa": "v", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 53, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.966325885136, - "psi": -42.4465798794368, - "oldID": "321", - "bg": 13.93, + "a6": 115.901104022648, + "psi": 160.863341638956, + "oldID": "197", + "bg": 129.95, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7131258693884, + "protein": "1TWF", + "zeta": 37.8103475654717, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 71, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 931, + "next": 929, "sidechain_SER": null, - "bm": 14.0, + "bm": 127.0, "xpr": false, - "prev": 928, + "prev": 927, "terminal_flag": false, - "phi": -49.9429199260313, + "phi": -91.769373448476, "chainID": "A", "sidechain_GLN": null, - "ome": 179.382998743974, - "chi2": null, - "chi3": null, - "chi1": 158.825169658379, - "chi4": null, + "ome": 178.513822365996, + "chi2": -43.7948270195707, + "chi3": 31.0642517079375, + "chi1": 39.3080209688007, + "chi4": -6.13326840163575, "chi5": null, - "a1": 123.019534057489, - "L4": 1.52602645159395, - "L5": 1.22426587247428, - "L2": 1.45261457456537, - "L3": 1.53665892658351, - "a7": 121.755840360158, - "L1": 1.31519493529915, + "a1": 122.752168850513, + "L4": 1.52768982036907, + "L5": 1.22968467835576, + "L2": 1.46657016576239, + "L3": 1.52131813445543, + "a7": 122.822460780083, + "L1": 1.34302034265866, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.251027940286, - "bs": 13.0, - "a2": 109.452253253573, - "a5": 122.277771972057, + "omep": -14.5637230049502, + "ss": "-", + "a3": 115.814688873255, + "bs": 129.0, + "a2": 102.39220772154, + "a5": 121.276415887123, "sidechain_LEU": null, - "chainIndex": 320, + "chainIndex": 196, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.48765078423 + "a4": 111.651038347475 } }, { - "pk": 930, + "pk": 929, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.599697035158, - "psi": -54.1430510061491, - "oldID": "93", - "bg": 55.47, + "a6": 116.168036605041, + "psi": 87.5252105169398, + "oldID": "198", + "bg": 122.74, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7051177838162, + "zeta": 34.8245807911328, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 70, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 932, + "next": 930, "sidechain_SER": null, - "bm": 56.0, + "bm": 118.0, "xpr": false, - "prev": 926, + "prev": 928, "terminal_flag": false, - "phi": -42.5952396977672, + "phi": -109.648980414907, "chainID": "A", "sidechain_GLN": null, - "ome": -179.042108726271, - "chi2": null, - "chi3": null, - "chi1": -117.398190412515, + "ome": -179.123227643583, + "chi2": -148.234299965814, + "chi3": 65.2704959094912, + "chi1": -50.8676060674099, "chi4": null, "chi5": null, - "a1": 120.711538644653, - "L4": 1.5139427482644, - "L5": 1.23176499185247, - "L2": 1.46284889457824, - "L3": 1.52422322127842, - "a7": 123.894406627949, - "L1": 1.32431025103444, + "a1": 121.704618305286, + "L4": 1.52340891824444, + "L5": 1.22878369703136, + "L2": 1.45688435182788, + "L3": 1.53088423406546, + "a7": 123.128680237404, + "L1": 1.32885037374669, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 77, "omep": null, - "ss": "G", - "a3": 116.194389036899, - "bs": 56.0, - "a2": 111.907213892111, - "a5": 120.500344885607, + "ss": "E", + "a3": 108.22645226471, + "bs": 123.0, + "a2": 110.858885097259, + "a5": 120.70163886962, "sidechain_LEU": null, - "chainIndex": 92, + "chainIndex": 197, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.204420652798 + "a4": 109.615925456986 } }, { - "pk": 931, + "pk": 930, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.880547605475, - "psi": -47.0725753091327, - "oldID": "322", - "bg": 19.44, + "a6": 116.036788900169, + "psi": 121.494227822525, + "oldID": "199", + "bg": 108.68, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8684430041884, - "sidechain_PHE": 37, + "protein": "1TWF", + "zeta": 34.6304630634381, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 933, + "next": 931, "sidechain_SER": null, - "bm": 15.0, + "bm": 108.0, "xpr": false, "prev": 929, "terminal_flag": false, - "phi": -57.9677340801879, + "phi": -82.6608106223671, "chainID": "A", "sidechain_GLN": null, - "ome": 179.524360862039, - "chi2": 71.6936991258923, + "ome": 178.768473792989, + "chi2": 157.459147412586, "chi3": null, - "chi1": -159.902592993004, + "chi1": -81.7005704960806, "chi4": null, "chi5": null, - "a1": 119.705516402134, - "L4": 1.53823557338218, - "L5": 1.25136707440689, - "L2": 1.44230620665071, - "L3": 1.51495478510155, - "a7": 122.507792539964, - "L1": 1.31428745262271, + "a1": 121.944108344942, + "L4": 1.52267580790272, + "L5": 1.22991855777697, + "L2": 1.45850995966107, + "L3": 1.53119266371532, + "a7": 123.107153055958, + "L1": 1.32788786675427, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.64933354515, - "bs": 20.0, - "a2": 108.879874311094, - "a5": 120.584639395004, - "sidechain_LEU": null, - "chainIndex": 321, + "ss": "E", + "a3": 114.224678935422, + "bs": 108.0, + "a2": 109.85596070829, + "a5": 120.855359868193, + "sidechain_LEU": 74, + "chainIndex": 198, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.483426201107 + "a4": 109.109871682602 } }, { - "pk": 932, + "pk": 931, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.853880141645, - "psi": -10.8799294781108, - "oldID": "94", - "bg": 0.0, + "a6": 116.470599061714, + "psi": 144.700448558489, + "oldID": "200", + "bg": 105.06, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.0109042906126, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 934, + "next": 932, "sidechain_SER": null, - "bm": 55.0, + "bm": 100.0, "xpr": false, "prev": 930, "terminal_flag": false, - "phi": -62.6080941852436, + "phi": -145.082166982604, "chainID": "A", "sidechain_GLN": null, - "ome": -178.96047225027, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.031292949105, - "L4": 1.51815186502355, - "L5": 1.23158965463192, - "L2": 1.44718445399223, - "L3": null, - "a7": 122.073554049639, - "L1": 1.32986935770188, - "sidechain_ARG": null, + "ome": -179.494954524804, + "chi2": 168.439175852588, + "chi3": -168.882354966768, + "chi1": 75.3050647079511, + "chi4": -177.039363437277, + "chi5": 0.0101968277333065, + "a1": 122.126751475765, + "L4": 1.52561858161905, + "L5": 1.2309844083271, + "L2": 1.45737742037043, + "L3": 1.52419276253814, + "a7": 122.518534430389, + "L1": 1.32904027129832, + "sidechain_ARG": 46, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 117.549363158067, - "bs": 0.0, - "a2": null, - "a5": 119.070994521141, + "ss": "E", + "a3": 108.044905880053, + "bs": 108.0, + "a2": 111.023058928468, + "a5": 121.010669011152, "sidechain_LEU": null, - "chainIndex": 93, + "chainIndex": 199, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.104259375487 } }, { - "pk": 933, + "pk": 932, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.381956383929, - "psi": -31.5566346864118, - "oldID": "323", - "bg": 17.37, + "a6": 116.28575061462, + "psi": 132.951422690517, + "oldID": "201", + "bg": 92.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.653125486448, + "protein": "1TWF", + "zeta": 34.6565217458888, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 71, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 935, + "next": 933, "sidechain_SER": null, - "bm": 13.0, + "bm": 91.0, "xpr": false, "prev": 931, "terminal_flag": false, - "phi": -71.5230175875403, + "phi": -78.4911846898443, "chainID": "A", - "sidechain_GLN": 37, - "ome": 177.925858981472, - "chi2": -67.6343025030785, - "chi3": -28.8022832650357, - "chi1": -63.0090918558129, + "sidechain_GLN": null, + "ome": 179.277500360218, + "chi2": null, + "chi3": null, + "chi1": -168.942677421999, "chi4": null, "chi5": null, - "a1": 119.738395848368, - "L4": 1.53067251914208, - "L5": 1.22234276406218, - "L2": 1.4566692277857, - "L3": 1.52755293749874, - "a7": 121.872714581275, - "L1": 1.33334280385185, + "a1": 120.861755344415, + "L4": 1.52772341035563, + "L5": 1.23043989459338, + "L2": 1.45070432039993, + "L3": 1.54059356590194, + "a7": 122.891684682814, + "L1": 1.32426686767859, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.064737936046, - "bs": 18.0, - "a2": 111.363307272165, - "a5": 120.726420238234, + "ss": "E", + "a3": 111.340888363524, + "bs": 92.0, + "a2": 110.518830058146, + "a5": 120.816531870156, "sidechain_LEU": null, - "chainIndex": 322, + "chainIndex": 200, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.293002488074 + "a4": 109.443115172663 } }, { - "pk": 934, + "pk": 933, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.960427979337, - "psi": 1.77271639654053, - "oldID": "95", - "bg": 50.04, + "a6": 116.535331231437, + "psi": 117.964842135654, + "oldID": "202", + "bg": 84.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 32.8048031936587, - "sidechain_PHE": 38, + "zeta": 35.1816453790059, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 936, + "next": 934, "sidechain_SER": null, - "bm": 55.0, + "bm": 84.0, "xpr": false, "prev": 932, "terminal_flag": false, - "phi": -117.071848402963, + "phi": -76.6663364111215, "chainID": "A", "sidechain_GLN": null, - "ome": 179.303292098549, - "chi2": -78.549427042238, + "ome": -179.794415070028, + "chi2": 171.788749871825, "chi3": null, - "chi1": -61.8994605144497, + "chi1": -70.1895129279488, "chi4": null, "chi5": null, - "a1": 119.427734382862, - "L4": 1.53144957217829, - "L5": 1.23536903066616, - "L2": 1.46104291979033, - "L3": 1.54074394072423, - "a7": 122.288360843475, - "L1": 1.3330301340015, + "a1": 122.037913737221, + "L4": 1.52173092707468, + "L5": 1.23243491642993, + "L2": 1.46049407196758, + "L3": 1.53321822050076, + "a7": 122.911596640088, + "L1": 1.33141754398475, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 117.452679344556, - "bs": 49.0, - "a2": 110.736004263028, - "a5": 119.740234498372, - "sidechain_LEU": null, - "chainIndex": 94, + "ss": "E", + "a3": 108.732875906733, + "bs": 84.0, + "a2": 110.512257813473, + "a5": 120.55290881801, + "sidechain_LEU": 75, + "chainIndex": 201, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.378657236835 + "a4": 109.306940387809 } }, { - "pk": 935, + "pk": 934, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.152075790913, - "psi": -35.8112083287302, - "oldID": "324", - "bg": 15.96, + "a6": 116.234859062283, + "psi": 151.61279228693, + "oldID": "203", + "bg": 76.2, "sidechain_CYS": null, - "sidechain_ILE": 48, - "protein": "1H0H", - "zeta": 33.2596086434385, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.6570885585429, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 937, - "sidechain_SER": null, - "bm": 14.0, + "next": 935, + "sidechain_SER": 37, + "bm": 79.0, "xpr": false, "prev": 933, "terminal_flag": false, - "phi": -65.7343174356223, + "phi": -74.4937616717482, "chainID": "A", "sidechain_GLN": null, - "ome": 179.747301397827, - "chi2": 165.628517804179, + "ome": -179.714989849261, + "chi2": null, "chi3": null, - "chi1": -82.3910398628218, + "chi1": 72.0788065934808, "chi4": null, "chi5": null, - "a1": 119.322910125812, - "L4": 1.53082156807969, - "L5": 1.23587292923263, - "L2": 1.45438350587906, - "L3": 1.54485329816647, - "a7": 122.604711591192, - "L1": 1.32559369309401, + "a1": 121.197659374744, + "L4": 1.52092629769394, + "L5": 1.22855136079475, + "L2": 1.46077909510186, + "L3": 1.53096206872701, + "a7": 122.910932803865, + "L1": 1.32874628542422, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.250623322783, - "bs": 15.0, - "a2": 109.578719027517, - "a5": 121.126016903158, + "ss": "-", + "a3": 110.6887722739, + "bs": 77.0, + "a2": 110.739352172469, + "a5": 120.854076824372, "sidechain_LEU": null, - "chainIndex": 323, + "chainIndex": 202, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.696566767562 + "a4": 109.275030280409 } }, { - "pk": 936, + "pk": 935, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.709162717739, - "psi": -37.0411700600405, - "oldID": "96", - "bg": 53.51, + "a6": 116.471894775594, + "psi": -28.2401042118249, + "oldID": "204", + "bg": 78.72, "sidechain_CYS": null, - "sidechain_ILE": 49, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.014190920117, + "zeta": 34.7483183500957, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 46, "sidechain_TRP": null, - "next": 938, + "next": 936, "sidechain_SER": null, - "bm": 55.0, + "bm": 79.0, "xpr": false, "prev": 934, "terminal_flag": false, - "phi": -50.0848179587114, + "phi": -59.3496377205973, "chainID": "A", "sidechain_GLN": null, - "ome": 178.844040554605, - "chi2": 174.843123160928, + "ome": -179.533093609227, + "chi2": null, "chi3": null, - "chi1": -60.3816120349844, + "chi1": -53.0871228135789, "chi4": null, "chi5": null, - "a1": 120.636982735609, - "L4": 1.53581437279934, - "L5": 1.22980417755621, - "L2": 1.46582146331022, - "L3": 1.5411110602629, - "a7": 122.285850142565, - "L1": 1.33271878774621, + "a1": 121.116437917464, + "L4": 1.52204765631225, + "L5": 1.22774758568637, + "L2": 1.45025106393355, + "L3": 1.54010751051877, + "a7": 123.079561950334, + "L1": 1.32602628918326, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.228148562332, - "bs": 53.0, - "a2": 111.079952730791, - "a5": 121.004417885043, + "a3": 110.093101416218, + "bs": 78.0, + "a2": 111.17851757693, + "a5": 120.446198651372, "sidechain_LEU": null, - "chainIndex": 95, + "chainIndex": 203, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.682158545436 + "a4": 109.044221155004 } }, { - "pk": 937, + "pk": 936, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.257381017168, - "psi": -46.3559328766526, - "oldID": "325", - "bg": 15.56, + "a6": 117.735185940168, + "psi": -37.911811355492, + "oldID": "205", + "bg": 91.68, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6670447249201, + "protein": "1TWF", + "zeta": 34.1586053230706, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 22, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 939, + "next": 937, "sidechain_SER": null, - "bm": 14.0, + "bm": 80.0, "xpr": false, "prev": 935, "terminal_flag": false, - "phi": -67.2208460675663, + "phi": -71.3968948312263, "chainID": "A", "sidechain_GLN": null, - "ome": 179.360976792938, - "chi2": 177.175985729745, - "chi3": 69.2430177406178, - "chi1": -76.6159405385369, + "ome": 179.446808816942, + "chi2": -169.77916311646, + "chi3": 59.5700899183794, + "chi1": -173.30922148473, "chi4": null, "chi5": null, - "a1": 120.539695185265, - "L4": 1.51710573819511, - "L5": 1.22661950775476, - "L2": 1.4549036712747, - "L3": 1.52460739814212, - "a7": 122.707190015585, - "L1": 1.33382951430593, + "a1": 121.892507146234, + "L4": 1.52721743118795, + "L5": 1.22726832884627, + "L2": 1.45664175887088, + "L3": 1.5302846104357, + "a7": 122.381680864162, + "L1": 1.32999940498075, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 78, "omep": null, "ss": "H", - "a3": 110.4692992444, - "bs": 15.0, - "a2": 111.408925477599, - "a5": 121.034922713442, + "a3": 112.801852093242, + "bs": 93.0, + "a2": 110.379374739058, + "a5": 119.883052537547, "sidechain_LEU": null, - "chainIndex": 324, + "chainIndex": 204, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.070112274605 + "a4": 109.661368414337 } }, { - "pk": 938, + "pk": 937, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.100245872727, - "psi": -48.0580158275787, - "oldID": "97", - "bg": 0.0, + "a6": 116.145416186186, + "psi": -54.919995571988, + "oldID": "206", + "bg": 83.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1948687180042, + "zeta": 35.00541694801, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 940, + "next": 938, "sidechain_SER": null, - "bm": 55.0, + "bm": 77.0, "xpr": false, "prev": 936, "terminal_flag": false, - "phi": -66.3331361945514, + "phi": -63.06558927672, "chainID": "A", "sidechain_GLN": null, - "ome": 179.034257761198, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -179.642536524143, + "chi2": -177.896043059845, + "chi3": 12.5637285726326, + "chi1": -56.2659290343063, "chi4": null, "chi5": null, - "a1": 120.954092904811, - "L4": 1.52990893907508, - "L5": 1.22613667877954, - "L2": 1.45451615151575, - "L3": 1.52742362462371, - "a7": 122.97352606992, - "L1": 1.32676413971165, + "a1": 120.76172782743, + "L4": 1.52403484553003, + "L5": 1.23458391558078, + "L2": 1.46205442920393, + "L3": 1.53067902446636, + "a7": 123.461562725024, + "L1": 1.33161830426834, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 79, "omep": null, "ss": "H", - "a3": 110.094163025513, - "bs": 56.0, - "a2": 110.114134751273, - "a5": 119.926087645181, + "a3": 109.533176820929, + "bs": 84.0, + "a2": 111.319902442904, + "a5": 120.39293051826, "sidechain_LEU": null, - "chainIndex": 96, + "chainIndex": 205, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.701741518594 + "a4": 108.470378445925 } }, { - "pk": 939, + "pk": 938, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.445844456355, - "psi": -46.4267384633716, - "oldID": "326", - "bg": 20.67, + "a6": 115.927622157771, + "psi": -56.2816703084756, + "oldID": "207", + "bg": 69.56, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7934554410019, + "sidechain_ILE": 48, + "protein": "1TWF", + "zeta": 34.8971693536792, "sidechain_PHE": null, - "sidechain_LYS": 55, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 941, + "next": 939, "sidechain_SER": null, - "bm": 15.0, + "bm": 68.0, "xpr": false, "prev": 937, "terminal_flag": false, - "phi": -52.2039754473546, + "phi": -51.2750000295485, "chainID": "A", "sidechain_GLN": null, - "ome": 179.600487387013, - "chi2": 178.560213815812, - "chi3": 133.947612474291, - "chi1": -87.4236020410138, - "chi4": -65.7805165838786, + "ome": -179.286058619022, + "chi2": -58.2557447972011, + "chi3": null, + "chi1": -50.6144132444895, + "chi4": null, "chi5": null, - "a1": 120.178335249107, - "L4": 1.51896913859234, - "L5": 1.22655692902279, - "L2": 1.4457079227056, - "L3": 1.52378734743195, - "a7": 123.009600845811, - "L1": 1.31727102282353, + "a1": 122.479021200997, + "L4": 1.52569086960069, + "L5": 1.22497397959276, + "L2": 1.46260112228967, + "L3": 1.57051377504657, + "a7": 123.072438829335, + "L1": 1.33485077753235, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.790526205238, - "bs": 23.0, - "a2": 110.883597359938, - "a5": 120.541760919724, + "a3": 109.506698239858, + "bs": 69.0, + "a2": 112.293663624017, + "a5": 120.998417855193, "sidechain_LEU": null, - "chainIndex": 325, + "chainIndex": 206, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.356869361418 + "a4": 108.116842843064 } }, { - "pk": 940, + "pk": 939, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.869483696715, - "psi": -48.4583501264243, - "oldID": "98", - "bg": 61.62, + "a6": 116.842886925854, + "psi": -43.8199013084167, + "oldID": "208", + "bg": 62.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.4038540415024, + "zeta": 34.4831280069515, "sidechain_PHE": null, - "sidechain_LYS": 56, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 942, + "next": 940, "sidechain_SER": null, - "bm": 54.0, + "bm": 64.0, "xpr": false, "prev": 938, "terminal_flag": false, - "phi": -61.0441105311413, + "phi": -53.0686984404211, "chainID": "A", "sidechain_GLN": null, - "ome": -179.913074296268, - "chi2": -70.0500356258547, - "chi3": -172.032502715176, - "chi1": -94.5041220414201, - "chi4": -178.962161162594, + "ome": -178.911487215715, + "chi2": 165.983073911316, + "chi3": null, + "chi1": -174.447894689405, + "chi4": null, "chi5": null, - "a1": 122.577043654956, - "L4": 1.53074508261348, - "L5": 1.23540037781616, - "L2": 1.47486380278249, - "L3": 1.5348037494728, - "a7": 123.705771318695, - "L1": 1.33631299876483, + "a1": 122.11388385066, + "L4": 1.52460238805152, + "L5": 1.2296672613653, + "L2": 1.45618509868767, + "L3": 1.52719787706887, + "a7": 122.62196178364, + "L1": 1.32720034681935, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.745700846776, - "bs": 62.0, - "a2": 110.8387522801, - "a5": 121.420125808467, - "sidechain_LEU": null, - "chainIndex": 97, + "a3": 113.499912570777, + "bs": 61.0, + "a2": 109.60925670079, + "a5": 120.534957611724, + "sidechain_LEU": 76, + "chainIndex": 207, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.966847638013 + "a4": 109.753247834016 } }, { - "pk": 941, + "pk": 940, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 30, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.120984914389, - "psi": -47.7690355239408, - "oldID": "327", - "bg": 18.71, + "a6": 116.542154061688, + "psi": -24.1839871086525, + "oldID": "209", + "bg": 71.64, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.6847544376805, + "protein": "1TWF", + "zeta": 33.1106556715408, "sidechain_PHE": null, - "sidechain_LYS": 57, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 943, + "next": 941, "sidechain_SER": null, - "bm": 14.0, + "bm": 66.0, "xpr": false, "prev": 939, "terminal_flag": false, - "phi": -66.0227710395856, + "phi": -75.7672766545364, "chainID": "A", "sidechain_GLN": null, - "ome": -176.088762838668, - "chi2": 71.2710934996331, - "chi3": 178.019317164544, - "chi1": 171.512126199499, - "chi4": 170.298686308417, + "ome": 178.334773925192, + "chi2": -78.9159063073204, + "chi3": null, + "chi1": -127.170550211889, + "chi4": null, "chi5": null, - "a1": 121.648544953485, - "L4": 1.52978367748245, - "L5": 1.24423656369339, - "L2": 1.45315508397501, - "L3": 1.52954518021978, - "a7": 123.442655131065, - "L1": 1.32509304691691, + "a1": 120.441167093936, + "L4": 1.52280627135546, + "L5": 1.23118911570397, + "L2": 1.45223910027402, + "L3": 1.53269109147105, + "a7": 122.684020886402, + "L1": 1.3263249458622, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.190375753314, - "bs": 19.0, - "a2": 109.069413390869, - "a5": 121.36315868255, + "a3": 113.931766359761, + "bs": 71.0, + "a2": 109.963504073855, + "a5": 120.773624094791, "sidechain_LEU": null, - "chainIndex": 326, + "chainIndex": 208, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.05233316248 + "a4": 111.158174558704 } }, { - "pk": 942, + "pk": 941, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -120239,121 +108074,121 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.293483908133, - "psi": -34.9372516359946, - "oldID": "99", - "bg": 54.19, + "a6": 115.743344451247, + "psi": -33.9505933226359, + "oldID": "210", + "bg": 65.93, "sidechain_CYS": null, - "sidechain_ILE": 50, + "sidechain_ILE": 49, "protein": "1TWF", - "zeta": 34.6940660626098, + "zeta": 34.7537142900106, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 944, + "next": 942, "sidechain_SER": null, - "bm": 56.0, + "bm": 63.0, "xpr": false, "prev": 940, "terminal_flag": false, - "phi": -56.8158323670248, + "phi": -79.4060318792115, "chainID": "A", "sidechain_GLN": null, - "ome": 179.442905824395, - "chi2": 162.514077962393, + "ome": 179.390798079547, + "chi2": 161.610907283874, "chi3": null, - "chi1": -58.4220111428331, + "chi1": -73.4585320767029, "chi4": null, "chi5": null, - "a1": 123.74905738739, - "L4": 1.53386470193592, - "L5": 1.23504024088871, - "L2": 1.46179426709717, - "L3": 1.56152626572199, - "a7": 122.352479716247, - "L1": 1.33198950578571, + "a1": 120.925722209941, + "L4": 1.52307072303085, + "L5": 1.2337631797928, + "L2": 1.45782885632215, + "L3": 1.53313869877137, + "a7": 123.211065517056, + "L1": 1.32719845247507, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.367208642438, - "bs": 53.0, - "a2": 110.722052245186, - "a5": 121.352961220298, + "a3": 107.556227542977, + "bs": 65.0, + "a2": 110.868052369657, + "a5": 121.035107312094, "sidechain_LEU": null, - "chainIndex": 98, + "chainIndex": 209, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.617925916914 + "a4": 109.921698579666 } }, { - "pk": 943, + "pk": 942, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.917156941676, - "psi": -44.2893373740227, - "oldID": "328", - "bg": 15.6, + "a6": 116.803807459423, + "psi": -25.9443500437349, + "oldID": "211", + "bg": 54.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9946396690596, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 34.2752289681115, + "sidechain_PHE": 39, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 945, + "next": 943, "sidechain_SER": null, - "bm": 14.0, + "bm": 61.0, "xpr": false, "prev": 941, "terminal_flag": false, - "phi": -57.6699591306302, + "phi": -67.7009335213374, "chainID": "A", "sidechain_GLN": null, - "ome": -174.201416591621, - "chi2": null, + "ome": 179.553818198401, + "chi2": 14.7402695220464, "chi3": null, - "chi1": -176.932534587901, + "chi1": -80.0975890736375, "chi4": null, "chi5": null, - "a1": 121.333484774997, - "L4": 1.51273707229247, - "L5": 1.23678806362959, - "L2": 1.44631626865546, - "L3": 1.50856404180457, - "a7": 123.000841171951, - "L1": 1.31913450203608, + "a1": 121.538864939891, + "L4": 1.52238719638129, + "L5": 1.22806909549549, + "L2": 1.45479474871216, + "L3": 1.53788137268245, + "a7": 122.748533075416, + "L1": 1.32979628712138, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.307516077813, - "bs": 15.0, - "a2": 110.041101036183, - "a5": 121.076683399001, + "a3": 109.552131476267, + "bs": 54.0, + "a2": 110.649097496254, + "a5": 120.444178481213, "sidechain_LEU": null, - "chainIndex": 327, - "sidechain_HIS": 36, + "chainIndex": 210, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.895635116872 + "a4": 110.377042015669 } }, { - "pk": 944, + "pk": 943, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -120361,243 +108196,243 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.376197119283, - "psi": -57.2144866267679, - "oldID": "100", - "bg": 61.01, + "a6": 117.198962385616, + "psi": -13.3909021500011, + "oldID": "212", + "bg": 62.94, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3720216467778, + "zeta": 34.1746245347407, "sidechain_PHE": null, - "sidechain_LYS": 58, + "sidechain_LYS": 56, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 946, + "next": 944, "sidechain_SER": null, - "bm": 60.0, + "bm": 65.0, "xpr": false, "prev": 942, "terminal_flag": false, - "phi": -67.2733485571685, + "phi": -78.0952297446342, "chainID": "A", "sidechain_GLN": null, - "ome": 179.556396264947, - "chi2": 170.028076032681, - "chi3": 169.926071849265, - "chi1": 179.255282131047, - "chi4": -178.016773556889, + "ome": 179.280691662091, + "chi2": -166.311917447738, + "chi3": 173.270851656485, + "chi1": -68.9505335169651, + "chi4": -176.902586913975, "chi5": null, - "a1": 120.725652061483, - "L4": 1.52982033306863, - "L5": 1.23672501930698, - "L2": 1.45203926679298, - "L3": 1.5285138632478, - "a7": 122.848683337622, - "L1": 1.3264777013776, + "a1": 121.173999310379, + "L4": 1.52491532567894, + "L5": 1.23093422946637, + "L2": 1.45676108981852, + "L3": 1.53232909711252, + "a7": 122.742369509762, + "L1": 1.32933378695507, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.936800342864, - "bs": 63.0, - "a2": 109.904984544545, - "a5": 120.768209104252, + "ss": "T", + "a3": 112.503509405947, + "bs": 64.0, + "a2": 110.923633737334, + "a5": 120.057267826854, "sidechain_LEU": null, - "chainIndex": 99, + "chainIndex": 211, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.73332289351 + "a4": 109.219089940385 } }, { - "pk": 945, + "pk": 944, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.52175893005, - "psi": -8.29745073839175, - "oldID": "329", - "bg": 15.29, + "a6": 116.278734967066, + "psi": 0.15675187801954, + "oldID": "213", + "bg": 72.43, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6698386395141, + "protein": "1TWF", + "zeta": 34.6536353146053, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 947, + "next": 945, "sidechain_SER": null, - "bm": 14.0, + "bm": 68.0, "xpr": false, "prev": 943, "terminal_flag": false, - "phi": -83.5970282640144, + "phi": -97.376573626976, "chainID": "A", "sidechain_GLN": null, - "ome": -175.934023935122, - "chi2": -80.2120493473885, + "ome": 179.563226552837, + "chi2": null, "chi3": null, - "chi1": -70.8729801420497, + "chi1": -88.3231736918214, "chi4": null, "chi5": null, - "a1": 120.409381718746, - "L4": 1.51554109012858, - "L5": 1.22935583434057, - "L2": 1.4532754325743, - "L3": 1.52539056475066, - "a7": 122.771743127423, - "L1": 1.3309472693804, + "a1": 121.571746607904, + "L4": 1.52022044810095, + "L5": 1.23318238877077, + "L2": 1.46706814643957, + "L3": 1.53459441398804, + "a7": 123.501397188797, + "L1": 1.3325479999679, "sidechain_ARG": null, - "sidechain_TYR": 31, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 117.128889492305, - "bs": 15.0, - "a2": 110.182994039507, - "a5": 119.705429594563, + "ss": "T", + "a3": 112.33986778068, + "bs": 73.0, + "a2": 111.398284977741, + "a5": 120.200982216812, "sidechain_LEU": null, - "chainIndex": 328, - "sidechain_HIS": null, + "chainIndex": 212, + "sidechain_HIS": 38, "h_bond_energy": 0.0, - "a4": 110.202025820814 + "a4": 108.111695494595 } }, { - "pk": 946, + "pk": 945, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.192183165638, - "psi": -48.6709761794195, - "oldID": "101", - "bg": 66.96, + "a6": 115.22165401169, + "psi": 124.34307049996, + "oldID": "214", + "bg": 65.6, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 50, "protein": "1TWF", - "zeta": 34.281542379897, + "zeta": 34.9199058626524, "sidechain_PHE": null, - "sidechain_LYS": 59, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 948, + "next": 946, "sidechain_SER": null, - "bm": 61.0, + "bm": 64.0, "xpr": false, "prev": 944, "terminal_flag": false, - "phi": -56.3400840955342, + "phi": -82.6434166367096, "chainID": "A", "sidechain_GLN": null, - "ome": 179.332625393209, - "chi2": -179.915761673133, - "chi3": 172.115224017365, - "chi1": -74.7235145963908, - "chi4": -179.96139997987, + "ome": -179.552690703739, + "chi2": 174.989293663479, + "chi3": null, + "chi1": -62.5071897800141, + "chi4": null, "chi5": null, - "a1": 121.494613205687, - "L4": 1.53044949438178, - "L5": 1.23649224177008, - "L2": 1.45745085745857, - "L3": 1.52892255688134, - "a7": 123.154199379425, - "L1": 1.32899493940215, + "a1": 121.906462899334, + "L4": 1.5196298117983, + "L5": 1.23513208952165, + "L2": 1.46270314054691, + "L3": 1.54137135600619, + "a7": 123.921568167886, + "L1": 1.33249002808349, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.058009544331, - "bs": 68.0, - "a2": 110.14278137242, - "a5": 119.651810694573, + "ss": "S", + "a3": 108.37294483868, + "bs": 65.0, + "a2": 112.441103440587, + "a5": 120.855452930747, "sidechain_LEU": null, - "chainIndex": 100, + "chainIndex": 213, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.611905875155 + "a4": 107.924235200275 } }, { - "pk": 947, + "pk": 946, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.186730008412, - "psi": -25.8201070312711, - "oldID": "330", - "bg": 23.1, + "a6": 115.57834544799, + "psi": 164.85059413874, + "oldID": "215", + "bg": 53.17, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.9838312164487, + "protein": "1TWF", + "zeta": 35.1749958351665, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 949, - "sidechain_SER": null, - "bm": 16.0, + "next": 947, + "sidechain_SER": 38, + "bm": 60.0, "xpr": false, "prev": 945, "terminal_flag": false, - "phi": -55.8043032667715, + "phi": -62.5743543783001, "chainID": "A", "sidechain_GLN": null, - "ome": -176.992582696923, - "chi2": -174.011507949566, - "chi3": 30.2276884673955, - "chi1": 56.3052063012691, + "ome": 179.360788330376, + "chi2": null, + "chi3": null, + "chi1": 61.8708164871008, "chi4": null, "chi5": null, - "a1": 119.585320286025, - "L4": 1.53906537603264, - "L5": 1.23334091503176, - "L2": 1.46122256223311, - "L3": 1.53727091968314, - "a7": 121.97632994384, - "L1": 1.32616754244353, + "a1": 123.230570395789, + "L4": 1.52346476954956, + "L5": 1.23268345696696, + "L2": 1.45923462734204, + "L3": 1.53083262998451, + "a7": 122.864301984643, + "L1": 1.33078290477809, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 81, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.077984918991, - "bs": 24.0, - "a2": 111.528849455129, - "a5": 120.811018559471, + "ss": "-", + "a3": 113.120318699005, + "bs": 56.0, + "a2": 110.044785942027, + "a5": 121.555260777681, "sidechain_LEU": null, - "chainIndex": 329, + "chainIndex": 214, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.180641755417 + "a4": 108.515991527293 } }, { - "pk": 948, + "pk": 947, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -120605,1402 +108440,1402 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.444550200126, - "psi": -45.7553664355474, - "oldID": "102", - "bg": 56.52, + "a6": 115.853566275668, + "psi": -40.3274211875856, + "oldID": "216", + "bg": 60.05, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9914040491935, + "zeta": 34.9968516377723, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": 72, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 950, + "next": 948, "sidechain_SER": null, - "bm": 57.0, + "bm": 61.0, "xpr": false, "prev": 946, "terminal_flag": false, - "phi": -52.5031783746177, + "phi": -66.4705722615165, "chainID": "A", "sidechain_GLN": null, - "ome": 178.6653397136, + "ome": 179.615576940682, "chi2": null, "chi3": null, - "chi1": 165.43163359295, + "chi1": -171.46200564805, "chi4": null, "chi5": null, - "a1": 122.079174434562, - "L4": 1.52616276380501, - "L5": 1.22654886373041, - "L2": 1.47564992606258, - "L3": 1.58053112218053, - "a7": 122.949302125694, - "L1": 1.34073871495931, + "a1": 120.459354095956, + "L4": 1.51788715162134, + "L5": 1.23043477186172, + "L2": 1.45010759686616, + "L3": 1.51678895063714, + "a7": 123.633501367319, + "L1": 1.32691543371761, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 108.781231483054, - "bs": 57.0, - "a2": 112.739356332288, - "a5": 120.60491105498, + "a3": 109.805367856879, + "bs": 59.0, + "a2": 111.763100999612, + "a5": 120.512742581163, "sidechain_LEU": null, - "chainIndex": 101, + "chainIndex": 215, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.252104834958 + "a4": 107.892152502961 } }, { - "pk": 949, + "pk": 948, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.13918867598, - "psi": -8.63789779895942, - "oldID": "331", - "bg": 13.44, + "a6": 116.009544415572, + "psi": -33.304044664684, + "oldID": "217", + "bg": 70.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3988358762179, + "protein": "1TWF", + "zeta": 34.2450535669554, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 57, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 951, + "next": 949, "sidechain_SER": null, - "bm": 15.0, + "bm": 62.0, "xpr": false, "prev": 947, "terminal_flag": false, - "phi": -75.6251265627126, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.591627313364, - "chi2": 161.033919219025, - "chi3": -66.4531379483098, - "chi1": -63.9728391600312, - "chi4": 127.919811852962, - "chi5": 1.33170372737882, - "a1": 119.955126565704, - "L4": 1.53206155377711, - "L5": 1.22670069728078, - "L2": 1.45544539759285, - "L3": 1.53070955583551, - "a7": 122.905708893364, - "L1": 1.32713744058491, - "sidechain_ARG": 49, + "phi": -60.5356052893516, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.776319820855, + "chi2": -174.565852802609, + "chi3": 176.714409285083, + "chi1": -77.2856029372458, + "chi4": 179.366161137716, + "chi5": null, + "a1": 122.167961172565, + "L4": 1.5263018563318, + "L5": 1.23308956869758, + "L2": 1.46254129611879, + "L3": 1.54021964419714, + "a7": 123.108902708508, + "L1": 1.33415608867155, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.560750845067, - "bs": 13.0, - "a2": 110.20027955658, - "a5": 118.948540079403, + "ss": "H", + "a3": 111.024541730503, + "bs": 71.0, + "a2": 110.862168032103, + "a5": 120.875920522829, "sidechain_LEU": null, - "chainIndex": 330, + "chainIndex": 216, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.27559532852 + "a4": 109.70487404641 } }, { - "pk": 950, + "pk": 949, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.225346674995, - "psi": -36.3431169281592, - "oldID": "103", - "bg": 52.06, - "sidechain_CYS": 17, + "sidechain_ASP": 63, + "a6": 118.225802901986, + "psi": -55.1708382549321, + "oldID": "218", + "bg": 66.85, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5310111993177, + "zeta": 33.8811782702964, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 952, + "next": 950, "sidechain_SER": null, - "bm": 56.0, + "bm": 62.0, "xpr": false, "prev": 948, "terminal_flag": false, - "phi": -58.5794656733236, + "phi": -74.9951287228451, "chainID": "A", "sidechain_GLN": null, - "ome": -179.633041087164, - "chi2": null, + "ome": -179.002745524246, + "chi2": -1.79544817100405, "chi3": null, - "chi1": -82.461680615901, + "chi1": -78.1079847275966, "chi4": null, "chi5": null, - "a1": 121.124445000826, - "L4": 1.52969358291531, - "L5": 1.22916403670887, - "L2": 1.45735601020768, - "L3": 1.53202738916278, - "a7": 122.288286966715, - "L1": 1.33144489010458, + "a1": 121.827905569179, + "L4": 1.52401929906609, + "L5": 1.23072650351276, + "L2": 1.45674600339126, + "L3": 1.53741207264675, + "a7": 121.746993936497, + "L1": 1.33077774242405, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.077700895149, - "bs": 53.0, - "a2": 110.686543252353, - "a5": 120.484381562899, + "a3": 114.358987218676, + "bs": 66.0, + "a2": 110.655615380853, + "a5": 120.027202675764, "sidechain_LEU": null, - "chainIndex": 102, + "chainIndex": 217, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.67640768137 + "a4": 109.313196399417 } }, { - "pk": 951, + "pk": 950, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.221313813519, - "psi": 51.5251412964424, - "oldID": "332", - "bg": 15.84, + "a6": 116.743069887384, + "psi": -9.85381506625605, + "oldID": "219", + "bg": 61.16, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.4822409136234, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 32.4081955118912, + "sidechain_PHE": 40, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 953, + "next": 951, "sidechain_SER": null, - "bm": 14.0, + "bm": 60.0, "xpr": false, "prev": 949, "terminal_flag": false, - "phi": -92.7098136750895, + "phi": -72.4818228166616, "chainID": "A", "sidechain_GLN": null, - "ome": 179.888600830417, - "chi2": -87.3214634620813, + "ome": 177.823301512703, + "chi2": 60.2311880866086, "chi3": null, - "chi1": -68.6717738378095, + "chi1": 62.2494221929061, "chi4": null, "chi5": null, - "a1": 120.598608174913, - "L4": 1.52054183181019, - "L5": 1.21927626422334, - "L2": 1.46670688304479, - "L3": 1.53579304795117, - "a7": 122.317362043041, - "L1": 1.33781918136707, + "a1": 118.069348074953, + "L4": 1.52428156875679, + "L5": 1.22416944533945, + "L2": 1.45448945403899, + "L3": 1.53554821697881, + "a7": 122.477689165155, + "L1": 1.32929780083864, "sidechain_ARG": null, - "sidechain_TYR": 32, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.229224918004, - "bs": 15.0, - "a2": 111.165825197895, - "a5": 121.454946105461, + "ss": "H", + "a3": 112.653982951221, + "bs": 60.0, + "a2": 111.405679456718, + "a5": 120.77912110724, "sidechain_LEU": null, - "chainIndex": 331, + "chainIndex": 218, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.30631040722 + "a4": 111.123718213059 } }, { - "pk": 952, + "pk": 951, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.150281136339, - "psi": -7.47720156779345, - "oldID": "104", - "bg": 65.73, + "a6": 115.491035564655, + "psi": -26.934099504198, + "oldID": "220", + "bg": 57.4, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3466977508282, + "zeta": 34.3758955743815, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 47, "sidechain_TRP": null, - "next": 954, + "next": 952, "sidechain_SER": null, "bm": 59.0, "xpr": false, "prev": 950, "terminal_flag": false, - "phi": -79.5766768713715, + "phi": -86.7895338772406, "chainID": "A", "sidechain_GLN": null, - "ome": -179.905582580991, - "chi2": 176.569141773114, - "chi3": -40.1700194950635, - "chi1": -50.3534162840647, + "ome": 177.829662451469, + "chi2": null, + "chi3": null, + "chi1": -66.9629418333912, "chi4": null, "chi5": null, - "a1": 120.288585185572, - "L4": 1.5331073658617, - "L5": 1.23113944910949, - "L2": 1.46367527842782, - "L3": 1.52903430795984, - "a7": 122.703881949197, - "L1": 1.33001400804672, + "a1": 120.457431954306, + "L4": 1.52007345155032, + "L5": 1.22680294264644, + "L2": 1.44974348573219, + "L3": 1.52406741226825, + "a7": 123.363026821653, + "L1": 1.32519375536617, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 82, + "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 113.283855165062, - "bs": 66.0, - "a2": 110.748772683921, - "a5": 120.145804582852, + "a3": 105.898113665658, + "bs": 57.0, + "a2": 111.330059246982, + "a5": 121.140923365201, "sidechain_LEU": null, - "chainIndex": 103, + "chainIndex": 219, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.783366597183 + "a4": 110.4425163852 } }, { - "pk": 953, + "pk": 952, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 54, - "a6": 114.558824094351, - "psi": 159.688106039733, - "oldID": "333", - "bg": 16.69, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 114.667794643988, + "psi": -26.4219042331885, + "oldID": "221", + "bg": 68.17, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.064763134339, + "protein": "1TWF", + "zeta": 35.6363680413042, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 955, - "sidechain_SER": null, - "bm": 17.0, + "next": 953, + "sidechain_SER": 39, + "bm": 60.0, "xpr": false, "prev": 951, "terminal_flag": false, - "phi": -69.7436224221095, + "phi": -63.1881557459645, "chainID": "A", "sidechain_GLN": null, - "ome": -172.117186166942, - "chi2": 81.7613535817821, + "ome": 177.851289252249, + "chi2": null, "chi3": null, - "chi1": 60.4439814840727, + "chi1": -144.320823162379, "chi4": null, "chi5": null, - "a1": 119.730299819775, - "L4": 1.52112649507896, - "L5": 1.237583054757, - "L2": 1.45577605304272, - "L3": 1.52080152015325, - "a7": 123.949469838089, - "L1": 1.32098505509866, + "a1": 122.007726421148, + "L4": 1.51898144689386, + "L5": 1.22497795851487, + "L2": 1.45477049592101, + "L3": 1.52429362270565, + "a7": 123.455074973124, + "L1": 1.32847303599708, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.666817340829, - "bs": 16.0, - "a2": 111.261613541461, - "a5": 121.467757915093, + "ss": "H", + "a3": 103.302740392571, + "bs": 65.0, + "a2": 109.793441804024, + "a5": 121.870733066179, "sidechain_LEU": null, - "chainIndex": 332, + "chainIndex": 220, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.591974172688 + "a4": 110.517842021608 } }, { - "pk": 954, + "pk": 953, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.425666223367, - "psi": -38.14443285881, - "oldID": "105", - "bg": 56.51, - "sidechain_CYS": 18, + "a6": 118.631411150224, + "psi": 179.411086625433, + "oldID": "222", + "bg": 60.25, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.4821716477599, + "zeta": 35.2399393697817, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 956, + "next": 954, "sidechain_SER": null, "bm": 60.0, "xpr": false, "prev": 952, "terminal_flag": false, - "phi": -96.1435381028431, + "phi": -94.5813430781487, "chainID": "A", "sidechain_GLN": null, - "ome": -179.789088811572, - "chi2": null, + "ome": -179.124688256932, + "chi2": 170.312864456515, "chi3": null, - "chi1": -63.2600042213978, + "chi1": -48.8503900137359, "chi4": null, "chi5": null, - "a1": 121.647756105141, - "L4": 1.52069129446719, - "L5": 1.22523927121918, - "L2": 1.46429230988202, - "L3": 1.53118958942959, - "a7": 122.895751766985, - "L1": 1.33173055203645, + "a1": 122.892940157141, + "L4": 1.5325537414026, + "L5": 1.232251336089, + "L2": 1.45401676363862, + "L3": 1.53809404621276, + "a7": 121.095302943633, + "L1": 1.32695234463074, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.494956559244, - "bs": 58.0, - "a2": 110.667353108745, - "a5": 121.676731246313, - "sidechain_LEU": null, - "chainIndex": 104, + "ss": "T", + "a3": 101.855975637335, + "bs": 59.0, + "a2": 109.536799085251, + "a5": 120.270307282695, + "sidechain_LEU": 77, + "chainIndex": 221, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.449157139141 + "a4": 111.868691252925 } }, { - "pk": 955, + "pk": 954, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.617219211322, - "psi": -40.6773594010977, - "oldID": "334", - "bg": 22.25, + "a6": 118.495335078326, + "psi": 17.327602154219, + "oldID": "223", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3956991825891, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 957, + "next": 955, "sidechain_SER": null, - "bm": 18.0, + "bm": 58.0, "xpr": false, "prev": 953, "terminal_flag": false, - "phi": -61.0396098730662, + "phi": -74.7568386651247, "chainID": "A", "sidechain_GLN": null, - "ome": 178.970992403117, - "chi2": 153.719836164891, + "ome": -177.913212249737, + "chi2": null, "chi3": null, - "chi1": -67.5108223732979, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.864821008043, - "L4": 1.51094488003512, - "L5": 1.23602378528759, - "L2": 1.4561399040698, - "L3": 1.53582326851091, - "a7": 122.967232454039, - "L1": 1.33012849221524, + "a1": 117.999870528967, + "L4": 1.52016592768761, + "L5": 1.23220828897039, + "L2": 1.4534608448045, + "L3": null, + "a7": 122.099767717753, + "L1": 1.32107136594186, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.869328503723, - "bs": 22.0, - "a2": 110.024929170512, - "a5": 120.415442481733, - "sidechain_LEU": 75, - "chainIndex": 333, + "ss": "T", + "a3": 116.269427784254, + "bs": 0.0, + "a2": null, + "a5": 119.392525905533, + "sidechain_LEU": null, + "chainIndex": 222, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.445686534139 + "a4": null } }, { - "pk": 956, + "pk": 955, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.951938080221, - "psi": 147.377438514077, - "oldID": "106", - "bg": 62.09, + "a6": 115.681015169494, + "psi": 148.513182763913, + "oldID": "224", + "bg": 48.48, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3174790649515, - "sidechain_PHE": null, + "zeta": 32.8686523300839, + "sidechain_PHE": 41, "sidechain_LYS": null, - "sidechain_VAL": 73, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 958, + "next": 956, "sidechain_SER": null, - "bm": 64.0, + "bm": 53.0, "xpr": false, "prev": 954, "terminal_flag": false, - "phi": -104.079612682298, + "phi": -85.1010157967603, "chainID": "A", "sidechain_GLN": null, - "ome": 179.035304718663, - "chi2": null, + "ome": -179.63087038324, + "chi2": 88.2911642496583, "chi3": null, - "chi1": 76.2815209118304, + "chi1": -60.5790567762888, "chi4": null, "chi5": null, - "a1": 121.345013055039, - "L4": 1.52416816148426, - "L5": 1.23195286913417, - "L2": 1.44896651338454, - "L3": 1.53180927964279, - "a7": 123.157492964049, - "L1": 1.32382902608267, + "a1": 119.089217459222, + "L4": 1.51789664233639, + "L5": 1.22187628651761, + "L2": 1.46306527612807, + "L3": 1.52823714668519, + "a7": 123.032264777411, + "L1": 1.32965068295101, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 109.808805151922, - "bs": 63.0, - "a2": 110.227293393133, - "a5": 120.890190077304, + "ss": "-", + "a3": 117.884076489323, + "bs": 48.0, + "a2": 110.264032089409, + "a5": 121.283996329983, "sidechain_LEU": null, - "chainIndex": 105, + "chainIndex": 223, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.152240512234 + "a4": 109.541292612879 } }, { - "pk": 957, + "pk": 956, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 55, - "a6": 115.741878724434, - "psi": -43.8885310687341, - "oldID": "335", - "bg": 24.4, + "sidechain_ASN": 31, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.104200584388, + "psi": 126.045009296936, + "oldID": "225", + "bg": 53.16, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9877142950823, + "protein": "1TWF", + "zeta": 34.28926512509, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 960, + "next": 957, "sidechain_SER": null, - "bm": 19.0, + "bm": 53.0, "xpr": false, "prev": 955, "terminal_flag": false, - "phi": -57.4103338418587, + "phi": -115.790984690577, "chainID": "A", "sidechain_GLN": null, - "ome": 179.799889206677, - "chi2": -41.8563260186531, + "ome": -178.265787527561, + "chi2": -81.3634130443081, "chi3": null, - "chi1": -69.5591643943868, + "chi1": 173.94005442199, "chi4": null, "chi5": null, - "a1": 119.63059258213, - "L4": 1.52497150218964, - "L5": 1.23928783279227, - "L2": 1.44994438371027, - "L3": 1.52691759566184, - "a7": 123.664335427985, - "L1": 1.32700950055725, + "a1": 122.020708686499, + "L4": 1.54144956672349, + "L5": 1.23885417346176, + "L2": 1.45548666991196, + "L3": 1.53465215497122, + "a7": 122.874039774998, + "L1": 1.32704059748849, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.924200343003, - "bs": 24.0, - "a2": 111.220455486914, - "a5": 120.528198438112, + "ss": "B", + "a3": 110.986006111539, + "bs": 53.0, + "a2": 108.974984040269, + "a5": 121.021598177683, "sidechain_LEU": null, - "chainIndex": 334, + "chainIndex": 224, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.429418021892 + "a4": 111.453032078849 } }, { - "pk": 958, + "pk": 957, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.122962883422, - "psi": 132.034384201004, - "oldID": "107", - "bg": 66.78, - "sidechain_CYS": 19, + "a6": 117.358615666991, + "psi": -11.5663269401467, + "oldID": "226", + "bg": 66.81, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1492901164538, + "zeta": 34.8580030054844, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 959, + "next": 958, "sidechain_SER": null, - "bm": 65.0, + "bm": 56.0, "xpr": false, "prev": 956, "terminal_flag": false, - "phi": -62.0381368675204, + "phi": -59.8552228888029, "chainID": "A", "sidechain_GLN": null, - "ome": -178.980809042352, - "chi2": null, - "chi3": null, - "chi1": 170.981359229765, + "ome": -178.951260101198, + "chi2": 154.778353954992, + "chi3": 68.6992194798019, + "chi1": 64.7631321670223, "chi4": null, "chi5": null, - "a1": 122.210452367548, - "L4": 1.53292711722115, - "L5": 1.22754431923196, - "L2": 1.45600283817635, - "L3": 1.52727981633975, - "a7": 122.796558808763, - "L1": 1.32725404069517, + "a1": 122.672046792968, + "L4": 1.52121741428674, + "L5": 1.22737000521638, + "L2": 1.46398387096013, + "L3": 1.53096534688026, + "a7": 123.132112228137, + "L1": 1.33435819590924, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 80, "omep": null, - "ss": "-", - "a3": 109.788137668271, - "bs": 66.0, - "a2": 109.69938064307, - "a5": 120.079838039919, + "ss": "T", + "a3": 115.953346895051, + "bs": 67.0, + "a2": 110.560756992833, + "a5": 119.507006039285, "sidechain_LEU": null, - "chainIndex": 106, + "chainIndex": 225, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.782245292833 + "a4": 107.495789981231 } }, { - "pk": 959, + "pk": 958, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.541886470006, - "psi": 27.0460806435537, - "oldID": "108", - "bg": 68.65, + "a6": 117.139961194811, + "psi": -38.7912020446042, + "oldID": "227", + "bg": 48.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.0848085874309, + "zeta": 34.8364266085989, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 23, + "sidechain_VAL": 73, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 961, + "next": 959, "sidechain_SER": null, - "bm": 68.0, + "bm": 50.0, "xpr": false, - "prev": 958, + "prev": 957, "terminal_flag": false, - "phi": -78.0619274153885, + "phi": -111.632302139473, "chainID": "A", "sidechain_GLN": null, - "ome": 179.033303865798, - "chi2": -52.0436898000134, - "chi3": -79.9805953043133, - "chi1": -67.7767316152857, + "ome": -177.569917455907, + "chi2": null, + "chi3": null, + "chi1": -177.404131982127, "chi4": null, "chi5": null, - "a1": 121.838826324951, - "L4": 1.51431183546291, - "L5": 1.23002763964666, - "L2": 1.46033189350359, - "L3": 1.52456324068185, - "a7": 122.923263313103, - "L1": 1.33168398827637, + "a1": 121.743604746915, + "L4": 1.52491812813961, + "L5": 1.22794393328797, + "L2": 1.45845249305892, + "L3": 1.57208262117178, + "a7": 122.356251504643, + "L1": 1.3301481856577, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 115.127477618145, - "bs": 67.0, - "a2": 109.953914752186, - "a5": 120.534317032446, + "a3": 112.381826148525, + "bs": 49.0, + "a2": 110.951847657892, + "a5": 120.484435146229, "sidechain_LEU": null, - "chainIndex": 107, + "chainIndex": 226, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.38419815017 + "a4": 108.746476767194 } }, { - "pk": 960, + "pk": 959, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.250869364725, - "psi": -46.6002910195859, - "oldID": "336", - "bg": 22.44, + "a6": 117.398065286402, + "psi": -28.341952128235, + "oldID": "228", + "bg": 45.24, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.193899427982, - "sidechain_PHE": null, - "sidechain_LYS": 60, + "protein": "1TWF", + "zeta": 34.9316021592045, + "sidechain_PHE": 42, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 962, + "next": 960, "sidechain_SER": null, - "bm": 18.0, + "bm": 49.0, "xpr": false, - "prev": 957, + "prev": 958, "terminal_flag": false, - "phi": -63.8693897337801, + "phi": -108.386915303685, "chainID": "A", "sidechain_GLN": null, - "ome": 177.124562511082, - "chi2": 177.901015412736, - "chi3": -164.800827208337, - "chi1": -73.9106130106942, - "chi4": 156.756193908981, + "ome": -177.210619346419, + "chi2": -67.1843216436305, + "chi3": null, + "chi1": -48.6423763553768, + "chi4": null, "chi5": null, - "a1": 121.793140057267, - "L4": 1.52772816082407, - "L5": 1.21878895220242, - "L2": 1.46093255523846, - "L3": 1.53049400279594, - "a7": 122.009328355084, - "L1": 1.33040376089105, + "a1": 119.98165698864, + "L4": 1.51833353895063, + "L5": 1.22868195090794, + "L2": 1.45645489903589, + "L3": 1.52935836147398, + "a7": 121.567292043375, + "L1": 1.32784835691182, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.365873503862, - "bs": 23.0, - "a2": 111.36918578417, - "a5": 120.739689131672, + "ss": "T", + "a3": 116.219370160614, + "bs": 43.0, + "a2": 109.893276494241, + "a5": 121.034642227068, "sidechain_LEU": null, - "chainIndex": 335, + "chainIndex": 227, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.832297105113 + "a4": 108.030680064617 } }, { - "pk": 961, + "pk": 960, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.389595435136, - "psi": -56.1555618717472, - "oldID": "109", - "bg": 81.1, + "a6": 116.394831086643, + "psi": 94.9251597268024, + "oldID": "229", + "bg": 50.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.831784601243, + "zeta": 35.2491533055813, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 963, - "sidechain_SER": null, - "bm": 71.0, + "next": 961, + "sidechain_SER": 40, + "bm": 49.0, "xpr": false, "prev": 959, "terminal_flag": false, - "phi": -133.61164328588, + "phi": -144.338502084021, "chainID": "A", "sidechain_GLN": null, - "ome": 179.608568845091, + "ome": 178.507377954966, "chi2": null, "chi3": null, - "chi1": -168.906993376534, + "chi1": 58.4358215129213, "chi4": null, "chi5": null, - "a1": 120.840856887949, - "L4": 1.53102256393586, - "L5": 1.22627736614422, - "L2": 1.45215610306623, - "L3": 1.52703720888845, - "a7": 122.767253027093, - "L1": 1.32701084157121, + "a1": 117.939267128879, + "L4": 1.51396487717385, + "L5": 1.22653719816646, + "L2": 1.45145658823037, + "L3": 1.5260999785732, + "a7": 123.113326552895, + "L1": 1.31958836388347, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.638415032754, - "bs": 81.0, - "a2": 110.209949593002, - "a5": 119.842278065485, + "ss": "B", + "a3": 113.973598600539, + "bs": 50.0, + "a2": 108.694861344872, + "a5": 120.491238338671, "sidechain_LEU": null, - "chainIndex": 108, - "sidechain_HIS": 37, + "chainIndex": 228, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.305258806066 + "a4": 109.565679377286 } }, { - "pk": 962, + "pk": 961, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.413502202234, - "psi": -46.580486966305, - "oldID": "337", - "bg": 18.83, + "a6": 117.382687586223, + "psi": 141.347881408887, + "oldID": "230", + "bg": 53.53, "sidechain_CYS": null, - "sidechain_ILE": 51, - "protein": "1H0H", - "zeta": 33.5800286300169, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.9412847665798, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 964, + "next": 962, "sidechain_SER": null, - "bm": 16.0, + "bm": 49.0, "xpr": false, "prev": 960, "terminal_flag": false, - "phi": -58.9256830975925, + "phi": -96.355613094868, "chainID": "A", "sidechain_GLN": null, - "ome": 178.259195162703, - "chi2": 171.027450091046, - "chi3": null, - "chi1": -53.4157260250508, - "chi4": null, - "chi5": null, - "a1": 120.566033016591, - "L4": 1.52706392844243, - "L5": 1.22429069222415, - "L2": 1.45093567534149, - "L3": 1.50649620422862, - "a7": 122.213299094555, - "L1": 1.31926277550665, - "sidechain_ARG": null, + "ome": -179.598293923533, + "chi2": 171.747085740529, + "chi3": 144.401547503922, + "chi1": -88.7795699442494, + "chi4": -75.6386928659911, + "chi5": -0.327371065978168, + "a1": 121.06577993966, + "L4": 1.52253897763622, + "L5": 1.23112321201557, + "L2": 1.45633419909014, + "L3": 1.51990986484755, + "a7": 122.006303207717, + "L1": 1.3254571666529, + "sidechain_ARG": 47, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.448204674542, - "bs": 18.0, - "a2": 109.53057861773, - "a5": 120.369962985619, + "ss": "-", + "a3": 108.316773076581, + "bs": 57.0, + "a2": 110.393325568027, + "a5": 120.592138014077, "sidechain_LEU": null, - "chainIndex": 336, + "chainIndex": 229, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.196803451794 + "a4": 109.751747599174 } }, { - "pk": 963, + "pk": 962, "model": "pgd_core.residue", "fields": { - "aa": "c", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 54, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.309188599942, - "psi": -15.5136765619938, - "oldID": "110", - "bg": 54.52, - "sidechain_CYS": 20, + "a6": 115.507292901742, + "psi": -59.3797294432246, + "oldID": "231", + "bg": 50.51, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.7935333480149, + "zeta": 37.8647350565293, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 965, + "next": 963, "sidechain_SER": null, - "bm": 67.0, + "bm": 52.0, "xpr": false, "prev": 961, "terminal_flag": false, - "phi": -103.592168633369, + "phi": -42.1890098458193, "chainID": "A", "sidechain_GLN": null, - "ome": 178.546881693924, - "chi2": null, - "chi3": null, - "chi1": 52.1227003720511, - "chi4": null, + "ome": -178.931177888326, + "chi2": 43.9416645269158, + "chi3": -40.9675527120872, + "chi1": -29.2630407100098, + "chi4": 23.1504811807293, "chi5": null, - "a1": 121.938866144748, - "L4": 1.53034976957236, - "L5": 1.22884630170801, - "L2": 1.46758205527521, - "L3": 1.53026177219157, - "a7": 122.908077302553, - "L1": 1.33399776668052, + "a1": 121.590735111476, + "L4": 1.52415435226123, + "L5": 1.23398578095395, + "L2": 1.46448984717368, + "L3": 1.52119950147326, + "a7": 123.506352318442, + "L1": 1.34107913115776, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.993464201429, - "bs": 59.0, - "a2": 110.333074520669, - "a5": 120.782421901805, + "omep": 16.2609242116882, + "ss": "G", + "a3": 113.851694559695, + "bs": 50.0, + "a2": 102.890209735867, + "a5": 120.98600786545, "sidechain_LEU": null, - "chainIndex": 109, + "chainIndex": 230, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.059432782271 + "a4": 111.56782776956 } }, { - "pk": 964, + "pk": 963, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.626999318627, - "psi": -42.6787574019424, - "oldID": "338", - "bg": 18.36, + "a6": 116.672488742204, + "psi": -31.7920262226605, + "oldID": "232", + "bg": 62.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5274473025034, + "protein": "1TWF", + "zeta": 34.3920492965387, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 966, - "sidechain_SER": 43, - "bm": 17.0, + "next": 964, + "sidechain_SER": null, + "bm": 57.0, "xpr": false, "prev": 962, "terminal_flag": false, - "phi": -58.9745902986469, + "phi": -44.6753012171416, "chainID": "A", "sidechain_GLN": null, - "ome": 179.895504599462, - "chi2": null, - "chi3": null, - "chi1": 177.348763805806, + "ome": -178.483735678284, + "chi2": -102.092878797261, + "chi3": 62.961791226825, + "chi1": 59.1578977059577, "chi4": null, "chi5": null, - "a1": 120.244368701505, - "L4": 1.53206116081397, - "L5": 1.21690154937655, - "L2": 1.46248617555619, - "L3": 1.52910245299483, - "a7": 123.176580653869, - "L1": 1.3288937195855, + "a1": 122.16025648294, + "L4": 1.51563470875231, + "L5": 1.231943731022, + "L2": 1.45098767286855, + "L3": 1.52677365842681, + "a7": 122.753357193763, + "L1": 1.32925176396942, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 81, "omep": null, - "ss": "H", - "a3": 112.410254042189, - "bs": 18.0, - "a2": 111.85237308977, - "a5": 120.193800087781, + "ss": "G", + "a3": 114.507655666659, + "bs": 64.0, + "a2": 110.409798363396, + "a5": 120.571421540497, "sidechain_LEU": null, - "chainIndex": 337, + "chainIndex": 231, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.086127461416 + "a4": 108.803004088205 } }, { - "pk": 965, + "pk": 964, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.415250454329, - "psi": 32.3799083288429, - "oldID": "111", - "bg": 0.0, + "a6": 118.126356301182, + "psi": -7.02491522508578, + "oldID": "233", + "bg": 63.89, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 33.1191604176075, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 967, + "sidechain_TRP": 7, + "next": 965, "sidechain_SER": null, - "bm": 67.0, + "bm": 56.0, "xpr": false, "prev": 963, "terminal_flag": false, - "phi": 79.3916087862451, + "phi": -66.5495196430135, "chainID": "A", "sidechain_GLN": null, - "ome": -179.539745112718, - "chi2": null, + "ome": 178.802428114578, + "chi2": -22.935836417492, "chi3": null, - "chi1": null, + "chi1": -58.7911388592514, "chi4": null, "chi5": null, - "a1": 121.174654660649, - "L4": 1.51580823634696, - "L5": 1.23389857093635, - "L2": 1.45230430452664, - "L3": null, - "a7": 122.777095070895, - "L1": 1.32932072521091, + "a1": 119.947405376599, + "L4": 1.52735988270841, + "L5": 1.22831018657996, + "L2": 1.44833057079452, + "L3": 1.52937450593848, + "a7": 121.87591896199, + "L1": 1.32401263789466, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 116.157570378022, - "bs": 0.0, - "a2": null, - "a5": 120.799015587116, + "ss": "G", + "a3": 115.289331890207, + "bs": 65.0, + "a2": 110.112692995572, + "a5": 119.997588822301, "sidechain_LEU": null, - "chainIndex": 110, + "chainIndex": 232, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.453734746337 } }, { - "pk": 966, + "pk": 965, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.335282226564, - "psi": -43.3075112468828, - "oldID": "339", - "bg": 0.0, + "a6": 114.89075904181, + "psi": -10.470301937989, + "oldID": "234", + "bg": 53.52, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3427098785349, + "protein": "1TWF", + "zeta": 34.3206238554442, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 24, "sidechain_THR": null, "sidechain_TRP": null, - "next": 968, + "next": 966, "sidechain_SER": null, - "bm": 19.0, + "bm": 56.0, "xpr": false, "prev": 964, "terminal_flag": false, - "phi": -62.4897698717065, + "phi": -79.447474209274, "chainID": "A", "sidechain_GLN": null, - "ome": -174.889389909487, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 178.050146608169, + "chi2": -170.314876093354, + "chi3": -74.3741405798092, + "chi1": -58.2077925952342, "chi4": null, "chi5": null, - "a1": 123.501004577028, - "L4": 1.53265889216295, - "L5": 1.24004445569896, - "L2": 1.46371188896097, - "L3": 1.53358546506622, - "a7": 122.132123233672, - "L1": 1.32871314325849, + "a1": 119.05764574356, + "L4": 1.52344717901851, + "L5": 1.23424964335147, + "L2": 1.45641804557486, + "L3": 1.52481967179911, + "a7": 123.520838210117, + "L1": 1.32772269260833, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.204134347378, - "bs": 20.0, - "a2": 109.776829561552, - "a5": 121.519457547924, + "ss": "G", + "a3": 107.176573162868, + "bs": 51.0, + "a2": 111.024902341356, + "a5": 121.58822133799, "sidechain_LEU": null, - "chainIndex": 338, + "chainIndex": 233, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.852961345956 + "a4": 110.431395672605 } }, { - "pk": 967, + "pk": 966, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.633233806699, - "psi": 144.194993099709, - "oldID": "112", - "bg": 64.66, + "a6": 115.444939202657, + "psi": 119.112266341403, + "oldID": "235", + "bg": 61.5, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 51, "protein": "1TWF", - "zeta": 34.9789627215496, + "zeta": 34.5146565992349, "sidechain_PHE": null, - "sidechain_LYS": 61, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 969, + "next": 967, "sidechain_SER": null, - "bm": 65.0, + "bm": 60.0, "xpr": false, "prev": 965, "terminal_flag": false, - "phi": -105.731647511367, + "phi": -103.90645486838, "chainID": "A", "sidechain_GLN": null, - "ome": 179.959150212621, - "chi2": 162.983773721712, - "chi3": -176.09246254172, - "chi1": -176.800336121085, - "chi4": -69.8871205697866, + "ome": -178.16787498646, + "chi2": 174.806752812493, + "chi3": null, + "chi1": -61.5760589155625, + "chi4": null, "chi5": null, - "a1": 121.638126780379, - "L4": 1.53133217072858, - "L5": 1.22433223731008, - "L2": 1.45690840316887, - "L3": 1.53550184501712, - "a7": 122.180162313733, - "L1": 1.32557440916465, + "a1": 122.890091983415, + "L4": 1.5306117716263, + "L5": 1.23278891385689, + "L2": 1.45345662397474, + "L3": 1.53710097547934, + "a7": 123.379881397245, + "L1": 1.32877188894833, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.676347913342, - "bs": 65.0, - "a2": 108.679326074522, - "a5": 120.167123772127, + "ss": "E", + "a3": 105.686975110687, + "bs": 60.0, + "a2": 110.72359284219, + "a5": 121.163173736672, "sidechain_LEU": null, - "chainIndex": 111, + "chainIndex": 234, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.467985786782 + "a4": 110.976281007941 } }, { - "pk": 968, + "pk": 967, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.490211893218, - "psi": -28.3723099646531, - "oldID": "340", - "bg": 15.37, + "a6": 115.725968924144, + "psi": 133.136336867779, + "oldID": "236", + "bg": 55.64, "sidechain_CYS": null, - "sidechain_ILE": 52, - "protein": "1H0H", - "zeta": 32.7405239039579, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.8820449201037, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 970, + "next": 968, "sidechain_SER": null, - "bm": 16.0, + "bm": 61.0, "xpr": false, "prev": 966, "terminal_flag": false, - "phi": -86.6787651100747, + "phi": -82.6434189867908, "chainID": "A", "sidechain_GLN": null, - "ome": 179.979122250604, - "chi2": 68.2488463743515, + "ome": 179.412298439757, + "chi2": -178.933667412645, "chi3": null, - "chi1": -159.431345168451, + "chi1": -48.1254035449578, "chi4": null, "chi5": null, - "a1": 120.021475000602, - "L4": 1.52895639724595, - "L5": 1.24010154993789, - "L2": 1.45762574403668, - "L3": 1.54428296687368, - "a7": 123.314236812547, - "L1": 1.31804847070312, + "a1": 123.049657902627, + "L4": 1.52304675918775, + "L5": 1.23174263096936, + "L2": 1.45848724793094, + "L3": 1.52870349941052, + "a7": 122.987431055244, + "L1": 1.32875060711537, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.034399343051, - "bs": 16.0, - "a2": 109.283224906492, - "a5": 120.192258838182, - "sidechain_LEU": null, - "chainIndex": 339, + "ss": "E", + "a3": 114.774526545418, + "bs": 55.0, + "a2": 109.581653979213, + "a5": 121.276610472297, + "sidechain_LEU": 78, + "chainIndex": 235, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.334595882285 + "a4": 108.846073724076 } }, { - "pk": 969, + "pk": 968, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.284983612136, - "psi": 135.173555498911, - "oldID": "113", - "bg": 64.33, + "a6": 113.915536156942, + "psi": -27.341440396556, + "oldID": "237", + "bg": 67.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.421188052446, + "zeta": 35.9009694301393, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 48, "sidechain_TRP": null, - "next": 971, + "next": 969, "sidechain_SER": null, "bm": 65.0, "xpr": false, "prev": 967, "terminal_flag": false, - "phi": -59.6030320063317, + "phi": -125.784916219393, "chainID": "A", "sidechain_GLN": null, - "ome": -179.183646481777, - "chi2": -174.757642700349, + "ome": -179.74524744533, + "chi2": null, "chi3": null, - "chi1": -85.5031081703413, + "chi1": -69.5562980982005, "chi4": null, "chi5": null, - "a1": 120.48242785099, - "L4": 1.52863333762045, - "L5": 1.22900533423272, - "L2": 1.46019993332622, - "L3": 1.52377778757165, - "a7": 122.91927316047, - "L1": 1.32866793905811, + "a1": 121.842676437595, + "L4": 1.51195145193741, + "L5": 1.23041994095995, + "L2": 1.45361978824893, + "L3": 1.51979405613457, + "a7": 124.030546460177, + "L1": 1.3254845981262, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 112.155945962211, - "bs": 63.0, - "a2": 110.599065476254, - "a5": 120.792242363072, - "sidechain_LEU": 76, - "chainIndex": 112, + "ss": "E", + "a3": 107.07957644484, + "bs": 67.0, + "a2": 110.926217864222, + "a5": 122.053916888914, + "sidechain_LEU": null, + "chainIndex": 236, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.179173639064 + "a4": 108.108321684326 } }, { - "pk": 970, + "pk": 969, "model": "pgd_core.residue", "fields": { "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.024657528245, - "psi": -22.961135130187, - "oldID": "341", - "bg": 17.18, - "sidechain_CYS": 21, + "a6": 115.908528874527, + "psi": 108.247351226895, + "oldID": "238", + "bg": 75.5, + "sidechain_CYS": 29, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.29489897985, + "protein": "1TWF", + "zeta": 35.3277910951552, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 972, + "next": 970, "sidechain_SER": null, - "bm": 15.0, + "bm": 70.0, "xpr": false, "prev": 968, "terminal_flag": false, - "phi": -89.6954457244137, + "phi": -133.854993195155, "chainID": "A", "sidechain_GLN": null, - "ome": -177.783371696758, + "ome": -178.687470592678, "chi2": null, "chi3": null, - "chi1": -69.714845543376, + "chi1": 174.446712970773, "chi4": null, "chi5": null, - "a1": 123.313245105396, - "L4": 1.53418083586862, - "L5": 1.22001100458958, - "L2": 1.46638537678316, - "L3": 1.53903981885651, - "a7": 122.610875001718, - "L1": 1.3418305312435, + "a1": 122.530439515096, + "L4": 1.52345796933568, + "L5": 1.23396506852722, + "L2": 1.44367298804568, + "L3": 1.5233202843859, + "a7": 123.408786664562, + "L1": 1.32309617100549, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.99927849709, - "bs": 15.0, - "a2": 110.976366907175, - "a5": 120.363500102743, + "ss": "E", + "a3": 108.070977789173, + "bs": 73.0, + "a2": 109.623691066477, + "a5": 120.682335257455, "sidechain_LEU": null, - "chainIndex": 340, + "chainIndex": 237, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.716499832753 + "a4": 110.138549728201 } }, { - "pk": 971, + "pk": 970, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -122008,1097 +109843,1097 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.497354237808, - "psi": -15.6483560155211, - "oldID": "114", - "bg": 65.71, + "a6": 117.256785986771, + "psi": 132.131166619448, + "oldID": "239", + "bg": 75.54, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9757999990054, + "zeta": 34.9636703557371, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 973, + "next": 971, "sidechain_SER": null, - "bm": 68.0, + "bm": 73.0, "xpr": false, "prev": 969, "terminal_flag": false, - "phi": -65.2345188945293, + "phi": -87.7698265531133, "chainID": "A", "sidechain_GLN": null, - "ome": 179.328365570981, - "chi2": 168.054102503608, + "ome": 179.651671102682, + "chi2": 172.603203316845, "chi3": null, - "chi1": -68.9887435276794, + "chi1": -152.462766812537, "chi4": null, "chi5": null, - "a1": 121.991588990765, - "L4": 1.52762301457535, - "L5": 1.231139801915, - "L2": 1.45906182207884, - "L3": 1.5286234221632, - "a7": 122.921624017926, - "L1": 1.3289972127268, + "a1": 122.772315849861, + "L4": 1.52971194127975, + "L5": 1.22749725838826, + "L2": 1.45918485277943, + "L3": 1.53472819056279, + "a7": 121.778778369615, + "L1": 1.33020005381505, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.346397478873, - "bs": 66.0, - "a2": 109.530403156937, - "a5": 120.580759203774, - "sidechain_LEU": 77, - "chainIndex": 113, + "ss": "E", + "a3": 113.016368364867, + "bs": 75.0, + "a2": 109.384095179393, + "a5": 120.963811329244, + "sidechain_LEU": 79, + "chainIndex": 238, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.207642005574 + "a4": 109.517732203365 } }, { - "pk": 972, + "pk": 971, "model": "pgd_core.residue", "fields": { - "aa": "g", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 55, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.468938954234, - "psi": 1.2292270891718, - "oldID": "342", - "bg": 0.0, + "a6": 116.079939699594, + "psi": 127.722007147514, + "oldID": "240", + "bg": 75.72, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 37.3896671143452, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 974, + "next": 972, "sidechain_SER": null, - "bm": 21.0, + "bm": 76.0, "xpr": false, "prev": 970, "terminal_flag": false, - "phi": 81.733830070808, + "phi": -82.4346942855293, "chainID": "A", "sidechain_GLN": null, - "ome": -177.137715061715, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": -179.937780194639, + "chi2": -43.2351828431603, + "chi3": 34.6700310941611, + "chi1": 34.5653536561767, + "chi4": -12.9673876194056, "chi5": null, - "a1": 122.02265349728, - "L4": 1.52129786855846, - "L5": 1.23369438669146, - "L2": 1.45440429527919, - "L3": null, - "a7": 123.137360461201, - "L1": 1.32897742359758, + "a1": 120.235549447931, + "L4": 1.5288840915055, + "L5": 1.23330406856573, + "L2": 1.46709417091669, + "L3": 1.52339102355435, + "a7": 122.896230792869, + "L1": 1.34344276283097, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -12.7461341121038, "ss": "-", - "a3": 112.953671759813, - "bs": 0.0, - "a2": null, - "a5": 120.393349239396, + "a3": 111.970223313754, + "bs": 75.0, + "a2": 102.838137902298, + "a5": 121.023828848061, "sidechain_LEU": null, - "chainIndex": 341, + "chainIndex": 239, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 112.656286827221 } }, { - "pk": 973, + "pk": 972, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.048337335094, - "psi": 148.07177449564, - "oldID": "115", - "bg": 72.16, + "a6": 117.261636491894, + "psi": 108.284683880335, + "oldID": "241", + "bg": 78.51, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7225619849833, + "zeta": 34.925452286439, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 74, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 975, + "next": 973, "sidechain_SER": null, - "bm": 75.0, + "bm": 79.0, "xpr": false, "prev": 971, "terminal_flag": false, - "phi": -141.26751891152, + "phi": -90.8720368893934, "chainID": "A", "sidechain_GLN": null, - "ome": -179.600645376276, - "chi2": 167.599072343607, + "ome": 179.955761312228, + "chi2": null, "chi3": null, - "chi1": -66.4186677700964, + "chi1": -179.721624626623, "chi4": null, "chi5": null, - "a1": 122.290994122685, - "L4": 1.52584215026932, - "L5": 1.2314247837873, - "L2": 1.45995578829749, - "L3": 1.53124566513393, - "a7": 122.602459762445, - "L1": 1.32828151513866, + "a1": 121.553017138664, + "L4": 1.52700738976341, + "L5": 1.23420159454996, + "L2": 1.4568787338924, + "L3": 1.54200632930834, + "a7": 121.984410166576, + "L1": 1.3282304037227, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 108.510951076668, - "bs": 72.0, - "a2": 110.178479573232, - "a5": 120.349191771792, - "sidechain_LEU": 78, - "chainIndex": 114, + "a3": 111.085377878404, + "bs": 78.0, + "a2": 111.273577923062, + "a5": 120.753571750885, + "sidechain_LEU": null, + "chainIndex": 240, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.350516730929 + "a4": 108.346127719679 } }, { - "pk": 974, + "pk": 973, "model": "pgd_core.residue", "fields": { - "aa": "t", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 56, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.478972656881, - "psi": 130.739129847975, - "oldID": "343", - "bg": 21.39, + "a6": 117.396283446677, + "psi": 130.347161082754, + "oldID": "242", + "bg": 82.69, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.2277583092592, + "protein": "1TWF", + "zeta": 37.6528168595682, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 45, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 976, + "next": 974, "sidechain_SER": null, - "bm": 19.0, + "bm": 84.0, "xpr": false, "prev": 972, "terminal_flag": false, - "phi": -88.7538734159841, + "phi": -62.4744771572631, "chainID": "A", "sidechain_GLN": null, - "ome": 179.486393993807, - "chi2": null, - "chi3": null, - "chi1": -49.7352171273776, - "chi4": null, + "ome": 179.959088012863, + "chi2": -44.7023122698568, + "chi3": 39.4560765390066, + "chi1": 32.0917749051648, + "chi4": -19.9019068970212, "chi5": null, - "a1": 124.009824463228, - "L4": 1.53534976448345, - "L5": 1.22866812856319, - "L2": 1.45674253487956, - "L3": 1.53068264057778, - "a7": 120.918229878527, - "L1": 1.33098455736738, + "a1": 120.918010535841, + "L4": 1.52828190576932, + "L5": 1.22908198849023, + "L2": 1.46554153850244, + "L3": 1.5249408294913, + "a7": 121.929522933497, + "L1": 1.3425989822626, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 4.95723259572007, "ss": "-", - "a3": 111.009829422105, - "bs": 19.0, - "a2": 108.451334749304, - "a5": 120.541357293117, + "a3": 111.954621176954, + "bs": 82.0, + "a2": 102.885921980868, + "a5": 120.674123188171, "sidechain_LEU": null, - "chainIndex": 342, + "chainIndex": 241, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.701968383235 + "a4": 112.277973502528 } }, { - "pk": 975, + "pk": 974, "model": "pgd_core.residue", "fields": { - "aa": "d", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 57, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 56, - "a6": 116.82966879882, - "psi": -156.468436949126, - "oldID": "116", - "bg": 85.0, + "sidechain_ASP": null, + "a6": 117.091313531392, + "psi": 165.088462727917, + "oldID": "243", + "bg": 90.21, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2243501795134, + "zeta": 37.6455642452347, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 977, + "next": 975, "sidechain_SER": null, - "bm": 83.0, + "bm": 91.0, "xpr": false, "prev": 973, "terminal_flag": false, - "phi": -143.048176417653, + "phi": -60.799689867394, "chainID": "A", "sidechain_GLN": null, - "ome": -178.709847613493, - "chi2": -4.34564293348916, - "chi3": null, - "chi1": 51.3303013065134, - "chi4": null, + "ome": -179.893548380641, + "chi2": -45.6026430557989, + "chi3": 41.1072920368369, + "chi1": 32.0678720332054, + "chi4": -21.5084597997913, "chi5": null, - "a1": 120.653958165491, - "L4": 1.52542036953126, - "L5": 1.22799674476152, - "L2": 1.45566449701904, - "L3": 1.5301516396808, - "a7": 122.878931837527, - "L1": 1.32804346937689, + "a1": 122.219642068851, + "L4": 1.52406411532274, + "L5": 1.22870900180045, + "L2": 1.4661374771615, + "L3": 1.52515155464947, + "a7": 122.083780666372, + "L1": 1.34099339501324, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 5.25454336063177, "ss": "-", - "a3": 111.787496317861, - "bs": 85.0, - "a2": 110.029720935832, - "a5": 120.291398748715, + "a3": 112.726402891549, + "bs": 89.0, + "a2": 102.947551986893, + "a5": 120.821484076043, "sidechain_LEU": null, - "chainIndex": 115, + "chainIndex": 242, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.267129784584 + "a4": 112.090995437521 } }, { - "pk": 976, + "pk": 975, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 47, + "sidechain_PRO": 58, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.497792230917, - "psi": 134.666022789095, - "oldID": "344", - "bg": 21.29, + "a6": 118.553408692229, + "psi": -35.0260272698042, + "oldID": "244", + "bg": 97.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.2083875457463, + "protein": "1TWF", + "zeta": 36.2123294167375, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 978, + "next": 976, "sidechain_SER": null, - "bm": 19.0, + "bm": 99.0, "xpr": false, "prev": 974, "terminal_flag": false, - "phi": -55.4433264103802, + "phi": -50.3255614104193, "chainID": "A", "sidechain_GLN": null, - "ome": 179.125973987693, - "chi2": 27.1246648770293, - "chi3": -23.3447258638514, - "chi1": -19.4173711363441, - "chi4": 10.8820469140322, + "ome": 179.930139374489, + "chi2": -40.7801137114897, + "chi3": 40.7857222355009, + "chi1": 24.2294858807536, + "chi4": -26.5481487320074, "chi5": null, - "a1": 119.570815231598, - "L4": 1.53135944734132, - "L5": 1.23049493807882, - "L2": 1.46915827514639, - "L3": 1.53034772228621, - "a7": 123.3944745007, - "L1": 1.32410921007031, + "a1": 123.470417798824, + "L4": 1.53129418562943, + "L5": 1.22932474722678, + "L2": 1.46556790563172, + "L3": 1.53093459048313, + "a7": 121.525581671226, + "L1": 1.34309360323215, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 1.95667928888751, - "ss": "-", - "a3": 111.264981583172, - "bs": 21.0, - "a2": 103.749626895646, - "a5": 120.099061941034, + "omep": 4.60745403822596, + "ss": "T", + "a3": 116.736632440398, + "bs": 97.0, + "a2": 103.193212404599, + "a5": 119.920889399053, "sidechain_LEU": null, - "chainIndex": 343, + "chainIndex": 243, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.355713561289 + "a4": 112.783488255835 } }, { - "pk": 977, + "pk": 976, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 59, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.940509489882, - "psi": -10.1587208828148, - "oldID": "117", - "bg": 95.23, + "a6": 116.139009741723, + "psi": -31.4716488814008, + "oldID": "245", + "bg": 105.46, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5859992715264, + "zeta": 37.0980809800976, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 979, + "next": 977, "sidechain_SER": null, - "bm": 87.0, + "bm": 107.0, "xpr": false, "prev": 975, "terminal_flag": false, - "phi": -66.501815675268, + "phi": -57.8473620930115, "chainID": "A", "sidechain_GLN": null, - "ome": -179.559681120043, - "chi2": 73.0480258136033, - "chi3": 67.4387771566809, - "chi1": -54.9916047813857, - "chi4": null, + "ome": 179.096914413687, + "chi2": -42.6115512979382, + "chi3": 40.3585414289982, + "chi1": 27.8117342438335, + "chi4": -23.5780139270975, "chi5": null, - "a1": 121.971716551793, - "L4": 1.5250883965388, - "L5": 1.2346858906009, - "L2": 1.46240691431459, - "L3": 1.52959041723083, - "a7": 122.568536873529, - "L1": 1.33211890304928, + "a1": 117.741190786576, + "L4": 1.52565383778672, + "L5": 1.23088349915267, + "L2": 1.46739167975319, + "L3": 1.52894462456297, + "a7": 123.027670297888, + "L1": 1.34592283059232, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 83, - "omep": null, + "sidechain_GLU": null, + "omep": 3.42634821025928, "ss": "T", - "a3": 113.811904893763, - "bs": 96.0, - "a2": 110.42838728182, - "a5": 120.490307403375, + "a3": 112.484280431148, + "bs": 105.0, + "a2": 103.163428881543, + "a5": 120.833173192412, "sidechain_LEU": null, - "chainIndex": 116, + "chainIndex": 244, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.670293523738 + "a4": 112.727346975529 } }, { - "pk": 978, + "pk": 977, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.755879888643, - "psi": -43.6361799036046, - "oldID": "345", - "bg": 22.79, + "a6": 115.602694769345, + "psi": -58.9159236813533, + "oldID": "246", + "bg": 117.27, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3330564660351, + "protein": "1TWF", + "zeta": 35.3802382159673, "sidechain_PHE": null, - "sidechain_LYS": 62, - "sidechain_VAL": null, + "sidechain_LYS": null, + "sidechain_VAL": 75, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 980, + "next": 978, "sidechain_SER": null, - "bm": 18.0, + "bm": 118.0, "xpr": false, "prev": 976, "terminal_flag": false, - "phi": -50.2270333144267, + "phi": -73.0182704397153, "chainID": "A", "sidechain_GLN": null, - "ome": -177.54128112348, - "chi2": 152.325821728428, - "chi3": 106.543970987141, - "chi1": 172.416487181148, - "chi4": 160.261306696809, + "ome": 178.912292656275, + "chi2": null, + "chi3": null, + "chi1": -168.26101334252, + "chi4": null, "chi5": null, - "a1": 122.770915704172, - "L4": 1.51984905835648, - "L5": 1.22619294770773, - "L2": 1.44868371656888, - "L3": 1.53062753547999, - "a7": 122.964203343459, - "L1": 1.32625425142371, + "a1": 121.75871163353, + "L4": 1.52334085148447, + "L5": 1.23124559879542, + "L2": 1.45670843975807, + "L3": 1.54602209871683, + "a7": 123.229735007271, + "L1": 1.3271658217014, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.342313154552, - "bs": 24.0, - "a2": 110.134439500348, - "a5": 120.279712137187, + "ss": "T", + "a3": 106.998842555572, + "bs": 117.0, + "a2": 111.121594965258, + "a5": 121.16562797368, "sidechain_LEU": null, - "chainIndex": 344, + "chainIndex": 245, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.911753197007 + "a4": 109.013874245172 } }, { - "pk": 979, + "pk": 978, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.703483366556, - "psi": 6.54935430151745, - "oldID": "118", - "bg": 84.42, + "a6": 117.118325401358, + "psi": 99.9907006878933, + "oldID": "247", + "bg": 130.07, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4718558576181, + "zeta": 34.2891785579282, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 981, + "next": 979, "sidechain_SER": null, - "bm": 88.0, + "bm": 131.0, "xpr": false, "prev": 977, "terminal_flag": false, - "phi": -82.6577212951459, + "phi": -107.38795457437, "chainID": "A", "sidechain_GLN": null, - "ome": 179.845541318099, - "chi2": null, - "chi3": null, - "chi1": -63.6326086942767, - "chi4": null, - "chi5": null, - "a1": 120.588501227406, - "L4": 1.51968315444494, - "L5": 1.23247183125213, - "L2": 1.45726960150364, - "L3": 1.52574956794469, - "a7": 123.440159433195, - "L1": 1.32734011538101, - "sidechain_ARG": null, + "ome": -179.743629001119, + "chi2": 107.554307235568, + "chi3": 179.080755964922, + "chi1": 33.9102244383661, + "chi4": 177.935560268868, + "chi5": 0.0907397542812165, + "a1": 122.356166220338, + "L4": 1.53127816089725, + "L5": 1.23580826631561, + "L2": 1.45641707870947, + "L3": 1.53672752207928, + "a7": 121.980015267835, + "L1": 1.32855040714666, + "sidechain_ARG": 48, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.867888361598, - "bs": 84.0, - "a2": 109.841837867261, - "a5": 120.856031373615, + "ss": "S", + "a3": 109.635478583507, + "bs": 129.0, + "a2": 110.156176821218, + "a5": 120.899726941465, "sidechain_LEU": null, - "chainIndex": 117, - "sidechain_HIS": 38, + "chainIndex": 246, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.056293033337 + "a4": 110.752958962902 } }, { - "pk": 980, + "pk": 979, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 60, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.246785542349, - "psi": -39.3565611180396, - "oldID": "346", - "bg": 28.02, + "a6": 115.565308613846, + "psi": -150.915368911023, + "oldID": "248", + "bg": 138.31, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8312127010024, + "protein": "1TWF", + "zeta": 37.1602864333119, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 982, + "next": 980, "sidechain_SER": null, - "bm": 20.0, + "bm": 140.0, "xpr": false, "prev": 978, "terminal_flag": false, - "phi": -58.2875807940836, + "phi": -69.6701811659361, "chainID": "A", "sidechain_GLN": null, - "ome": -179.822358646252, - "chi2": -82.4991878167017, - "chi3": -37.8927632322217, - "chi1": 146.402208650113, - "chi4": null, + "ome": 179.760519039315, + "chi2": -44.249414452971, + "chi3": 36.6045696475466, + "chi1": 34.2887933441032, + "chi4": -15.2625330984459, "chi5": null, - "a1": 121.946308999875, - "L4": 1.53659561321624, - "L5": 1.24345136388074, - "L2": 1.46236952211102, - "L3": 1.54224383225203, - "a7": 122.997338348888, - "L1": 1.33230379750764, + "a1": 123.321127623801, + "L4": 1.53220158332982, + "L5": 1.23237955772833, + "L2": 1.46788673785379, + "L3": 1.52651745271783, + "a7": 123.361893061784, + "L1": 1.3460907009926, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 84, - "omep": null, - "ss": "H", - "a3": 111.687361374018, - "bs": 29.0, - "a2": 110.026857975413, - "a5": 121.713544502449, + "sidechain_GLU": null, + "omep": -0.464561826552116, + "ss": "-", + "a3": 115.508096991885, + "bs": 138.0, + "a2": 102.730934092307, + "a5": 121.067925940858, "sidechain_LEU": null, - "chainIndex": 345, + "chainIndex": 247, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.26059404574 + "a4": 112.27720229499 } }, { - "pk": 981, + "pk": 980, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "s", "sidechain_PRO": null, - "sidechain_ASN": 38, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.598922865613, - "psi": 114.229433562745, - "oldID": "119", - "bg": 89.23, + "a6": 116.274488518217, + "psi": 95.8982070262222, + "oldID": "249", + "bg": 148.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.059133154139, + "zeta": 34.5766776915549, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 983, - "sidechain_SER": null, - "bm": 90.0, + "next": 981, + "sidechain_SER": 41, + "bm": 149.0, "xpr": false, "prev": 979, "terminal_flag": false, - "phi": -123.291302426196, + "phi": -166.958907283678, "chainID": "A", "sidechain_GLN": null, - "ome": -178.784529858694, - "chi2": -64.3646463205497, + "ome": -179.13421581536, + "chi2": null, "chi3": null, - "chi1": -178.479071506277, + "chi1": 58.7386246441763, "chi4": null, "chi5": null, - "a1": 122.196519369834, - "L4": 1.52502659246686, - "L5": 1.23229908523354, - "L2": 1.45540055799462, - "L3": 1.52901061349644, - "a7": 123.086824301341, - "L1": 1.32849186128136, + "a1": 123.041872537351, + "L4": 1.53190503673594, + "L5": 1.23270501499915, + "L2": 1.46094725366519, + "L3": 1.53656448343259, + "a7": 122.962585480477, + "L1": 1.33112770154806, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.123713294664, - "bs": 89.0, - "a2": 109.65178019529, - "a5": 120.31389563229, + "ss": "-", + "a3": 109.26857715832, + "bs": 148.0, + "a2": 110.417778992153, + "a5": 120.762560859644, "sidechain_LEU": null, - "chainIndex": 118, + "chainIndex": 248, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.485073821732 + "a4": 110.13679650439 } }, { - "pk": 982, + "pk": 981, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.885298118299, - "psi": -41.1871758523907, - "oldID": "347", - "bg": 17.95, + "a6": 116.0447651376, + "psi": 84.7136987335454, + "oldID": "250", + "bg": 155.27, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6243820080335, + "sidechain_ILE": 52, + "protein": "1TWF", + "zeta": 34.8439996714129, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 984, + "next": 982, "sidechain_SER": null, - "bm": 16.0, + "bm": 156.0, "xpr": false, "prev": 980, "terminal_flag": false, - "phi": -73.1262838363568, + "phi": -65.1075845202884, "chainID": "A", "sidechain_GLN": null, - "ome": 174.855089102361, - "chi2": 43.9239911470336, + "ome": 179.931820197255, + "chi2": 172.925785511055, "chi3": null, - "chi1": -174.341538997774, + "chi1": -47.8540535667769, "chi4": null, "chi5": null, - "a1": 122.338916757881, - "L4": 1.53127162879713, - "L5": 1.21771818800136, - "L2": 1.43032081297588, - "L3": 1.51794570806988, - "a7": 122.367317314918, - "L1": 1.32544308287201, + "a1": 122.271870800022, + "L4": 1.52687499571529, + "L5": 1.23278510426156, + "L2": 1.46293981820296, + "L3": 1.5448735655184, + "a7": 123.073963456555, + "L1": 1.33282223976188, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.563782846373, - "bs": 18.0, - "a2": 108.411861330506, - "a5": 119.723728596826, - "sidechain_LEU": 79, - "chainIndex": 346, + "ss": "-", + "a3": 112.219476343486, + "bs": 155.0, + "a2": 111.130745607463, + "a5": 120.880418858264, + "sidechain_LEU": null, + "chainIndex": 249, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.395563987749 + "a4": 108.261339930431 } }, { - "pk": 983, + "pk": 982, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.384046760345, - "psi": -31.8135223377611, - "oldID": "120", - "bg": 99.41, + "a6": 116.533755183809, + "psi": 118.985573255583, + "oldID": "251", + "bg": 162.9, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.4250291196444, + "zeta": 34.6774958799463, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 985, - "sidechain_SER": null, - "bm": 92.0, + "next": 983, + "sidechain_SER": 42, + "bm": 162.0, "xpr": false, "prev": 981, "terminal_flag": false, - "phi": -57.2209551453378, + "phi": -120.317739143512, "chainID": "A", "sidechain_GLN": null, - "ome": 179.400449446664, - "chi2": 177.880753199736, - "chi3": 64.767802701236, - "chi1": -117.09768053694, + "ome": -179.87976205196, + "chi2": null, + "chi3": null, + "chi1": 62.7280003715449, "chi4": null, "chi5": null, - "a1": 121.657207507229, - "L4": 1.53014879051957, - "L5": 1.23032083451326, - "L2": 1.46304124873717, - "L3": 1.53684107450992, - "a7": 122.245787619021, - "L1": 1.33234712453311, + "a1": 121.996200714282, + "L4": 1.52917386024478, + "L5": 1.23216267204335, + "L2": 1.45902201896805, + "L3": 1.53599970273216, + "a7": 122.933859887316, + "L1": 1.32963925982946, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 85, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 115.116475981523, - "bs": 100.0, - "a2": 110.43917960704, - "a5": 120.370160895585, + "ss": "-", + "a3": 110.573468807588, + "bs": 162.0, + "a2": 110.179685258161, + "a5": 120.531460832229, "sidechain_LEU": null, - "chainIndex": 119, + "chainIndex": 250, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.779698496424 + "a4": 109.871827289635 } }, { - "pk": 984, + "pk": 983, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.280357462948, - "psi": -47.2179090914536, - "oldID": "348", - "bg": 14.92, + "a6": 115.919823268336, + "psi": 105.787100575599, + "oldID": "252", + "bg": 167.72, "sidechain_CYS": null, - "sidechain_ILE": 53, - "protein": "1H0H", - "zeta": 34.6154272450883, - "sidechain_PHE": null, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.1534600762347, + "sidechain_PHE": 43, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 986, + "next": 984, "sidechain_SER": null, - "bm": 14.0, + "bm": 166.0, "xpr": false, "prev": 982, "terminal_flag": false, - "phi": -56.666329861017, + "phi": -74.2507342415646, "chainID": "A", "sidechain_GLN": null, - "ome": -177.591737916181, - "chi2": 168.050199754356, + "ome": -179.746386927293, + "chi2": 58.8697658472964, "chi3": null, - "chi1": -61.1559942118825, + "chi1": -83.5645645241733, "chi4": null, "chi5": null, - "a1": 120.129344520787, - "L4": 1.52215267116661, - "L5": 1.21663067105845, - "L2": 1.45732826566432, - "L3": 1.55318105647441, - "a7": 122.770965380191, - "L1": 1.33490441238413, + "a1": 121.642902122585, + "L4": 1.52620601155477, + "L5": 1.23012371760026, + "L2": 1.46220938221435, + "L3": 1.53237493797468, + "a7": 123.32563446477, + "L1": 1.33186501536736, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.285145504893, - "bs": 15.0, - "a2": 111.857443943943, - "a5": 120.943554168354, + "ss": "-", + "a3": 112.562701428442, + "bs": 167.0, + "a2": 110.352924715008, + "a5": 120.754046270964, "sidechain_LEU": null, - "chainIndex": 347, + "chainIndex": 251, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.186833274518 + "a4": 109.768762380261 } }, { - "pk": 985, + "pk": 984, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 32, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.863197324776, - "psi": -24.319546204869, - "oldID": "121", - "bg": 91.9, + "a6": 117.207427409769, + "psi": -99.0742270113709, + "oldID": "253", + "bg": 168.86, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1382536849082, + "zeta": 33.6644561121875, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 987, + "next": 985, "sidechain_SER": null, - "bm": 88.0, + "bm": 168.0, "xpr": false, "prev": 983, "terminal_flag": false, - "phi": -78.3726534294541, + "phi": 60.6594841841943, "chainID": "A", "sidechain_GLN": null, - "ome": -179.57790200728, - "chi2": 176.660185267105, + "ome": 179.938035418166, + "chi2": -69.5663083035232, "chi3": null, - "chi1": -72.5773118289116, + "chi1": -81.8432833999961, "chi4": null, "chi5": null, - "a1": 120.154888830594, - "L4": 1.53222030360538, - "L5": 1.22767092868448, - "L2": 1.45512739025513, - "L3": 1.53663768127609, - "a7": 122.614775685298, - "L1": 1.32720236082314, + "a1": 122.786002748576, + "L4": 1.5303590403535, + "L5": 1.23212210084869, + "L2": 1.46183458112155, + "L3": 1.5328695481873, + "a7": 122.773999478333, + "L1": 1.33281778734993, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.053245650566, - "bs": 91.0, - "a2": 110.4697378239, - "a5": 120.514835861958, - "sidechain_LEU": 80, - "chainIndex": 120, + "ss": "S", + "a3": 112.975490829652, + "bs": 168.0, + "a2": 109.996227191832, + "a5": 120.01851688352, + "sidechain_LEU": null, + "chainIndex": 252, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.217745434801 + "a4": 110.641770660332 } }, { - "pk": 986, + "pk": 985, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.574318626896, - "psi": -38.8371974837494, - "oldID": "349", - "bg": 18.42, + "a6": 115.443397119113, + "psi": -166.54356132724, + "oldID": "254", + "bg": 168.26, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.3921923569322, + "protein": "1TWF", + "zeta": 34.3849239763349, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 988, + "next": 986, "sidechain_SER": null, - "bm": 14.0, + "bm": 168.0, "xpr": false, "prev": 984, "terminal_flag": false, - "phi": -61.6409159965098, + "phi": -134.48937026515, "chainID": "A", "sidechain_GLN": null, - "ome": 176.970930776077, - "chi2": 66.4485951324637, - "chi3": null, - "chi1": -166.611634229547, + "ome": 179.720489230923, + "chi2": -171.623626168737, + "chi3": 65.4598544027883, + "chi1": -58.7608968930104, "chi4": null, "chi5": null, - "a1": 120.488729191065, - "L4": 1.51458552326549, - "L5": 1.22162429686861, - "L2": 1.4525904262193, - "L3": 1.53471342805737, - "a7": 122.534985033027, - "L1": 1.32248870254278, + "a1": 121.552762153352, + "L4": 1.53344998888511, + "L5": 1.23267060276142, + "L2": 1.46680870753084, + "L3": 1.53522462199703, + "a7": 123.743843210972, + "L1": 1.33341981199476, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 82, "omep": null, - "ss": "H", - "a3": 110.497741888543, - "bs": 18.0, - "a2": 112.026878907701, - "a5": 119.836586571326, - "sidechain_LEU": 81, - "chainIndex": 348, + "ss": "S", + "a3": 114.035009342487, + "bs": 168.0, + "a2": 110.202581369203, + "a5": 120.812592025478, + "sidechain_LEU": null, + "chainIndex": 253, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.378866038062 + "a4": 109.087621136353 } }, { - "pk": 987, + "pk": 986, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.384727964919, - "psi": -36.5300392723213, - "oldID": "122", - "bg": 77.63, + "a6": 116.589282584317, + "psi": -53.5008061560058, + "oldID": "255", + "bg": 167.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1326492837075, + "zeta": 33.4492854787434, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 24, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 989, - "sidechain_SER": null, - "bm": 85.0, + "next": 987, + "sidechain_SER": 43, + "bm": 166.0, "xpr": false, "prev": 985, "terminal_flag": false, - "phi": -76.7554454969112, + "phi": 61.693618465547, "chainID": "A", "sidechain_GLN": null, - "ome": 179.379155233354, - "chi2": 74.4660062616312, - "chi3": -165.635142572269, - "chi1": 176.635872951696, + "ome": -179.883624442665, + "chi2": null, + "chi3": null, + "chi1": 64.6514786422893, "chi4": null, "chi5": null, - "a1": 122.277769556125, - "L4": 1.51918656747065, - "L5": 1.23312762571474, - "L2": 1.46254724237374, - "L3": 1.52889796673196, - "a7": 123.321606531543, - "L1": 1.33006368205315, + "a1": 124.586315794376, + "L4": 1.52809970547453, + "L5": 1.23160258803291, + "L2": 1.46876942273391, + "L3": 1.534874666448, + "a7": 122.868606668823, + "L1": 1.33474938469935, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.144928845404, - "bs": 76.0, - "a2": 109.841998512713, - "a5": 121.286166775099, + "ss": "S", + "a3": 115.188216833671, + "bs": 167.0, + "a2": 110.611041375524, + "a5": 120.542065140603, "sidechain_LEU": null, - "chainIndex": 121, + "chainIndex": 254, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.342194294659 + "a4": 109.508037409319 } }, { - "pk": 988, + "pk": 987, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.265400370261, - "psi": -40.9131014540157, - "oldID": "350", - "bg": 18.53, + "a6": 116.172658730973, + "psi": 142.847819521468, + "oldID": "256", + "bg": 163.5, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7166476612514, + "protein": "1TWF", + "zeta": 34.7773017332968, "sidechain_PHE": null, - "sidechain_LYS": 63, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 990, + "next": 988, "sidechain_SER": null, - "bm": 13.0, + "bm": 164.0, "xpr": false, "prev": 986, "terminal_flag": false, - "phi": -60.5834037767819, + "phi": -69.6648569450177, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.579011595205, - "chi2": 177.633307782918, - "chi3": 167.86178587668, - "chi1": -80.6810343040616, - "chi4": 170.274687043129, + "sidechain_GLN": 40, + "ome": 179.894135844758, + "chi2": 176.364214423852, + "chi3": 57.2549500162643, + "chi1": -56.4155302975474, + "chi4": null, "chi5": null, - "a1": 119.695935209633, - "L4": 1.52115702643908, - "L5": 1.23830128991728, - "L2": 1.46143661445641, - "L3": 1.52219511199631, - "a7": 122.442752453547, - "L1": 1.32725047830942, + "a1": 122.545306730662, + "L4": 1.5308321876781, + "L5": 1.2315316257054, + "L2": 1.46051274681627, + "L3": 1.53445556474868, + "a7": 122.910385152645, + "L1": 1.32859256594026, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.496390628476, - "bs": 22.0, - "a2": 110.610451126126, - "a5": 121.274754215857, + "ss": "-", + "a3": 112.546726638517, + "bs": 163.0, + "a2": 109.597507293847, + "a5": 120.916203175676, "sidechain_LEU": null, - "chainIndex": 349, + "chainIndex": 255, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.968777271826 + "a4": 109.686039941701 } }, { - "pk": 989, + "pk": 988, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -123106,1646 +110941,1646 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.703633825195, - "psi": -43.9373836657159, - "oldID": "123", - "bg": 94.55, + "a6": 115.572920519182, + "psi": -104.39520232919, + "oldID": "257", + "bg": 161.13, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0326040799929, + "zeta": 35.3496149096606, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 991, + "next": 989, "sidechain_SER": null, - "bm": 87.0, + "bm": 161.0, "xpr": false, "prev": 987, "terminal_flag": false, - "phi": -60.3223527941867, + "phi": -82.5559620865009, "chainID": "A", "sidechain_GLN": null, - "ome": 179.445712172067, - "chi2": 171.63594155104, - "chi3": -76.5891683579401, - "chi1": -105.679199076781, - "chi4": 152.299435848039, - "chi5": -0.266873562168456, - "a1": 121.786847618907, - "L4": 1.52197213908353, - "L5": 1.23031704630696, - "L2": 1.4490644775827, - "L3": 1.52507111058815, - "a7": 122.739167296828, - "L1": 1.32502488916633, - "sidechain_ARG": 50, + "ome": 179.154026246261, + "chi2": 165.159215977995, + "chi3": -178.240854543212, + "chi1": -49.1819891215831, + "chi4": 174.689233016528, + "chi5": 0.0471171811969635, + "a1": 122.100901945864, + "L4": 1.52513766159425, + "L5": 1.2338065308643, + "L2": 1.46120365638329, + "L3": 1.52785870627798, + "a7": 123.336576017042, + "L1": 1.330477254577, + "sidechain_ARG": 49, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.615588033612, - "bs": 99.0, - "a2": 109.848702003865, - "a5": 120.556787759891, + "ss": "-", + "a3": 109.610298906263, + "bs": 160.0, + "a2": 110.127806657603, + "a5": 121.0903610912, "sidechain_LEU": null, - "chainIndex": 122, + "chainIndex": 256, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.937764475201 + "a4": 109.11691191564 } }, { - "pk": 990, + "pk": 989, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.383345202688, - "psi": -46.9652310751377, - "oldID": "351", - "bg": 12.61, + "a6": 116.010453794826, + "psi": 104.782687692305, + "oldID": "258", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8282532002354, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 74, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 992, + "next": 990, "sidechain_SER": null, - "bm": 12.0, + "bm": 157.0, "xpr": false, "prev": 988, "terminal_flag": false, - "phi": -67.514972432843, + "phi": 66.6865489147895, "chainID": "A", "sidechain_GLN": null, - "ome": -177.829259767545, + "ome": 179.216954523318, "chi2": null, "chi3": null, - "chi1": 168.007473776481, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.630870822626, - "L4": 1.51802037764463, - "L5": 1.2210786020159, - "L2": 1.44795059062246, - "L3": 1.52378660601613, - "a7": 122.389347715588, - "L1": 1.32461048963611, - "sidechain_ARG": null, - "sidechain_TYR": null, + "a1": 121.129240159639, + "L4": 1.51379676550333, + "L5": 1.23116670429606, + "L2": 1.44960294243175, + "L3": null, + "a7": 123.302030916444, + "L1": 1.32926380515854, + "sidechain_ARG": null, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.526798039585, - "bs": 12.0, - "a2": 111.088338653879, - "a5": 120.204252298154, + "ss": "-", + "a3": 115.459938045348, + "bs": 0.0, + "a2": null, + "a5": 120.686624166986, "sidechain_LEU": null, - "chainIndex": 350, + "chainIndex": 257, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.280305001171 + "a4": null } }, { - "pk": 991, + "pk": 990, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.381305102214, - "psi": -23.4090749190204, - "oldID": "124", - "bg": 89.32, + "a6": 116.258911402901, + "psi": 148.625356028665, + "oldID": "259", + "bg": 153.49, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4234437882825, + "zeta": 33.9231271436979, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 993, + "next": 991, "sidechain_SER": null, - "bm": 84.0, + "bm": 152.0, "xpr": false, "prev": 989, "terminal_flag": false, - "phi": -60.1014839853219, + "phi": -128.347106516654, "chainID": "A", - "sidechain_GLN": 38, - "ome": -179.90617327297, - "chi2": -154.321568014436, - "chi3": -57.0403600065639, - "chi1": -61.1594253435534, + "sidechain_GLN": null, + "ome": -177.730635901922, + "chi2": 145.216205230272, + "chi3": 55.3233034235603, + "chi1": -82.6962031104285, "chi4": null, "chi5": null, - "a1": 120.239000561951, - "L4": 1.52648259010922, - "L5": 1.22888402475878, - "L2": 1.45441715092453, - "L3": 1.53142905258985, - "a7": 122.893544192891, - "L1": 1.3285276532586, + "a1": 122.529766379624, + "L4": 1.52708400994505, + "L5": 1.23192818199576, + "L2": 1.45875519878501, + "L3": 1.53134692179814, + "a7": 123.190732041236, + "L1": 1.32986288314514, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 83, "omep": null, - "ss": "H", - "a3": 109.876640954723, - "bs": 90.0, - "a2": 110.71269553918, - "a5": 120.72219369949, + "ss": "-", + "a3": 109.666040798785, + "bs": 153.0, + "a2": 109.9515589481, + "a5": 120.548580133261, "sidechain_LEU": null, - "chainIndex": 123, + "chainIndex": 258, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.89802916454 + "a4": 111.425133727904 } }, { - "pk": 992, + "pk": 991, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.609168131956, - "psi": -45.5718264309352, - "oldID": "352", - "bg": 13.9, + "chain": "1TWFA", + "sidechain_ASP": 64, + "a6": 115.047453086178, + "psi": 144.785361506673, + "oldID": "260", + "bg": 146.74, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3529056467974, + "protein": "1TWF", + "zeta": 33.4635241156964, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 994, + "next": 992, "sidechain_SER": null, - "bm": 13.0, + "bm": 145.0, "xpr": false, "prev": 990, "terminal_flag": false, - "phi": -59.6270110556565, + "phi": -44.4297744524323, "chainID": "A", "sidechain_GLN": null, - "ome": -176.172879388569, - "chi2": -0.495084081065055, + "ome": -179.304695495589, + "chi2": -77.4588628941549, "chi3": null, - "chi1": -73.6601840272918, + "chi1": -166.550738375014, "chi4": null, "chi5": null, - "a1": 120.042287374163, - "L4": 1.51642252284617, - "L5": 1.22785598869033, - "L2": 1.45212166439107, - "L3": 1.51603265016595, - "a7": 122.913206094602, - "L1": 1.32965678080234, + "a1": 122.311903337551, + "L4": 1.52304371246741, + "L5": 1.23325547987613, + "L2": 1.46260632982069, + "L3": 1.53277991871235, + "a7": 123.593437665049, + "L1": 1.33115604659371, "sidechain_ARG": null, - "sidechain_TYR": 33, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.01563340645, - "bs": 14.0, - "a2": 111.428121041643, - "a5": 121.458920505656, + "ss": "-", + "a3": 115.069190839093, + "bs": 146.0, + "a2": 110.283940100984, + "a5": 121.35840726531, "sidechain_LEU": null, - "chainIndex": 351, + "chainIndex": 259, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.363467435994 + "a4": 109.900840824047 } }, { - "pk": 993, + "pk": 992, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.238233710312, - "psi": -38.4758158894725, - "oldID": "125", - "bg": 0.0, + "sidechain_ASP": 65, + "a6": 117.34611751735, + "psi": -13.8490930271581, + "oldID": "261", + "bg": 138.36, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6668355551565, + "zeta": 34.204009435382, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 995, + "next": 993, "sidechain_SER": null, - "bm": 77.0, + "bm": 137.0, "xpr": false, "prev": 991, "terminal_flag": false, - "phi": -85.5555583219786, + "phi": -58.4917708990361, "chainID": "A", "sidechain_GLN": null, - "ome": -179.848516289379, - "chi2": null, + "ome": 178.993871650567, + "chi2": -53.2155834882902, "chi3": null, - "chi1": null, + "chi1": -60.6512286424971, "chi4": null, "chi5": null, - "a1": 122.030113544528, - "L4": 1.52110481572526, - "L5": 1.22800815415723, - "L2": 1.45787207958404, - "L3": 1.5175837770795, - "a7": 122.707679351921, - "L1": 1.32954994143142, + "a1": 122.867998252873, + "L4": 1.52829638371858, + "L5": 1.23275372903371, + "L2": 1.45645157645296, + "L3": 1.53328051022984, + "a7": 122.547804906665, + "L1": 1.3299647829029, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.819521683304, - "bs": 77.0, - "a2": 110.04991038536, - "a5": 121.053018293378, + "a3": 114.017780950977, + "bs": 138.0, + "a2": 109.877795896204, + "a5": 120.10552520213, "sidechain_LEU": null, - "chainIndex": 124, + "chainIndex": 260, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.776838159245 + "a4": 109.729267421929 } }, { - "pk": 994, + "pk": 993, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 57, - "a6": 115.8417708641, - "psi": -46.8133399212195, - "oldID": "353", - "bg": 15.69, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.400958555736, + "psi": -18.8316414340794, + "oldID": "262", + "bg": 127.47, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4108651427429, + "protein": "1TWF", + "zeta": 33.9563582952981, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 996, + "next": 994, "sidechain_SER": null, - "bm": 15.0, + "bm": 128.0, "xpr": false, "prev": 992, "terminal_flag": false, - "phi": -63.9630389416827, + "phi": -88.2379541591086, "chainID": "A", "sidechain_GLN": null, - "ome": 178.546950218973, - "chi2": -26.7575108182526, + "ome": 179.163173501861, + "chi2": -170.665537320339, "chi3": null, - "chi1": -78.2402865972906, + "chi1": -78.991425423114, "chi4": null, "chi5": null, - "a1": 119.115460070553, - "L4": 1.52160931469193, - "L5": 1.2352679186981, - "L2": 1.44718416065258, - "L3": 1.52290766912025, - "a7": 123.566374972598, - "L1": 1.32396656445676, + "a1": 120.672447229351, + "L4": 1.52354707933338, + "L5": 1.23194900518843, + "L2": 1.46033236276588, + "L3": 1.5327904556319, + "a7": 122.882347662388, + "L1": 1.33145111691173, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.129670924549, - "bs": 16.0, - "a2": 111.257197649501, - "a5": 120.589781946971, - "sidechain_LEU": null, - "chainIndex": 352, + "a3": 110.776105385234, + "bs": 127.0, + "a2": 111.297788005124, + "a5": 120.716689047524, + "sidechain_LEU": 80, + "chainIndex": 261, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.372082354712 + "a4": 109.695073853345 } }, { - "pk": 995, + "pk": 994, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.464442881467, - "psi": -24.3053088960387, - "oldID": "126", - "bg": 73.32, + "a6": 115.441412400709, + "psi": -32.969790575927, + "oldID": "263", + "bg": 121.67, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6600104118165, + "zeta": 35.0044984355722, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 49, "sidechain_TRP": null, - "next": 997, + "next": 995, "sidechain_SER": null, - "bm": 75.0, + "bm": 121.0, "xpr": false, "prev": 993, "terminal_flag": false, - "phi": -66.2710439541041, + "phi": -80.673248078601, "chainID": "A", "sidechain_GLN": null, - "ome": -179.3520869874, - "chi2": 174.318449219453, + "ome": 179.236904377934, + "chi2": null, "chi3": null, - "chi1": -67.1795013691354, + "chi1": -49.0643044603178, "chi4": null, "chi5": null, - "a1": 120.903004834368, - "L4": 1.52401270335086, - "L5": 1.23062789668105, - "L2": 1.44902450853016, - "L3": 1.52684457630065, - "a7": 123.183772623858, - "L1": 1.32443894979928, + "a1": 121.172185177924, + "L4": 1.52551093027567, + "L5": 1.23313644769331, + "L2": 1.45616264108798, + "L3": 1.53873222823509, + "a7": 123.412745432969, + "L1": 1.3296734233683, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.147318226831, - "bs": 72.0, - "a2": 109.777133934461, - "a5": 120.351341725281, - "sidechain_LEU": 82, - "chainIndex": 125, + "a3": 107.785782492783, + "bs": 121.0, + "a2": 111.537605352566, + "a5": 121.145360767035, + "sidechain_LEU": null, + "chainIndex": 262, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.813476563425 + "a4": 108.858473255775 } }, { - "pk": 996, + "pk": 995, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.355659531145, - "psi": -48.625208229058, - "oldID": "354", - "bg": 0.0, + "a6": 115.695166965871, + "psi": -37.4085819206189, + "oldID": "264", + "bg": 114.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.334256345126, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 35.0570986209363, + "sidechain_PHE": 44, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 999, + "next": 996, "sidechain_SER": null, - "bm": 16.0, + "bm": 114.0, "xpr": false, "prev": 994, "terminal_flag": false, - "phi": -61.3240735580871, + "phi": -63.8203532498746, "chainID": "A", "sidechain_GLN": null, - "ome": -176.182187857923, - "chi2": null, + "ome": -179.93333985189, + "chi2": 2.94255175952185, "chi3": null, - "chi1": null, + "chi1": -71.2040696195689, "chi4": null, "chi5": null, - "a1": 120.82280588296, - "L4": 1.51461647081561, - "L5": 1.23178583959638, - "L2": 1.45675583108264, - "L3": 1.52379638287486, - "a7": 122.305338893484, - "L1": 1.32665400673781, + "a1": 122.369949772944, + "L4": 1.52032039090609, + "L5": 1.23098080342631, + "L2": 1.45768387271365, + "L3": 1.53570251805122, + "a7": 123.236522252285, + "L1": 1.33160519024633, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.099871196487, - "bs": 16.0, - "a2": 111.030370929159, - "a5": 120.336540079942, + "a3": 108.856423030961, + "bs": 115.0, + "a2": 110.647096177107, + "a5": 121.068218153229, "sidechain_LEU": null, - "chainIndex": 353, + "chainIndex": 263, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.708782867457 + "a4": 109.38519829188 } }, { - "pk": 997, + "pk": 996, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.593000006798, - "psi": -21.9551806247962, - "oldID": "127", - "bg": 0.0, + "a6": 116.237553516696, + "psi": -41.7765319014079, + "oldID": "265", + "bg": 106.43, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1642821320717, + "zeta": 34.8804986994368, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 58, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 998, + "next": 997, "sidechain_SER": null, - "bm": 77.0, + "bm": 106.0, "xpr": false, "prev": 995, "terminal_flag": false, - "phi": -74.842862435437, + "phi": -70.8291610329337, "chainID": "A", "sidechain_GLN": null, - "ome": 179.582523274216, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.52056202766, + "chi2": 63.2803327708395, + "chi3": -175.033256576074, + "chi1": -168.994264659546, + "chi4": 178.868380552395, "chi5": null, - "a1": 122.179151204081, - "L4": 1.53077469971201, - "L5": 1.23404523897848, - "L2": 1.46035757494892, - "L3": 1.52936354429175, - "a7": 122.970367478823, - "L1": 1.32986560390204, + "a1": 121.797579607323, + "L4": 1.52505901581226, + "L5": 1.22907051833947, + "L2": 1.45364568891842, + "L3": 1.52880509431109, + "a7": 122.826360423404, + "L1": 1.32901153422926, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.610266257448, - "bs": 77.0, - "a2": 109.806542888524, - "a5": 120.435242882952, + "ss": "H", + "a3": 109.81125926649, + "bs": 106.0, + "a2": 109.977991238358, + "a5": 120.935977237957, "sidechain_LEU": null, - "chainIndex": 126, + "chainIndex": 264, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.913696587018 + "a4": 109.973094690732 } }, { - "pk": 998, + "pk": 997, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.721951149039, - "psi": 133.733030881161, - "oldID": "128", - "bg": 76.5, + "a6": 115.693764374761, + "psi": -32.2121950639223, + "oldID": "266", + "bg": 99.56, "sidechain_CYS": null, - "sidechain_ILE": 54, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4183222210038, + "zeta": 35.1823645688438, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1000, + "next": 998, "sidechain_SER": null, - "bm": 80.0, + "bm": 101.0, "xpr": false, - "prev": 997, + "prev": 996, "terminal_flag": false, - "phi": -54.4832352714403, + "phi": -59.9982810148324, "chainID": "A", "sidechain_GLN": null, - "ome": -179.280214445381, - "chi2": 176.815592139774, + "ome": 179.948071350962, + "chi2": 169.477108422569, "chi3": null, - "chi1": -63.3753292141034, + "chi1": -67.2738692025083, "chi4": null, "chi5": null, - "a1": 121.760422017116, - "L4": 1.52624968691617, - "L5": 1.23158860484304, - "L2": 1.45820295257863, - "L3": 1.54578153472694, - "a7": 123.536574702895, - "L1": 1.33116593953371, + "a1": 121.299257137658, + "L4": 1.51594546007188, + "L5": 1.22956516442361, + "L2": 1.45352257721674, + "L3": 1.52499871158762, + "a7": 123.425991933647, + "L1": 1.3280516670014, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.952611073376, - "bs": 76.0, - "a2": 110.795089594278, - "a5": 120.739649008661, - "sidechain_LEU": null, - "chainIndex": 127, + "ss": "H", + "a3": 108.909848920414, + "bs": 99.0, + "a2": 110.13836242739, + "a5": 120.879175491668, + "sidechain_LEU": 81, + "chainIndex": 265, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.949122638236 + "a4": 109.617425294441 } }, { - "pk": 999, + "pk": 998, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.896553497601, - "psi": -45.2129638838521, - "oldID": "355", - "bg": 14.03, + "a6": 116.224485225476, + "psi": -55.8498687283309, + "oldID": "267", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.192345879604, + "protein": "1TWF", + "zeta": 34.4997703931243, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1001, + "next": 999, "sidechain_SER": null, - "bm": 15.0, + "bm": 101.0, "xpr": false, - "prev": 996, + "prev": 997, "terminal_flag": false, - "phi": -69.7110813559926, + "phi": -64.6525371448018, "chainID": "A", "sidechain_GLN": null, - "ome": -176.446370093893, - "chi2": 83.8639105511215, + "ome": 179.623330910747, + "chi2": null, "chi3": null, - "chi1": -158.536014584458, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.345176159533, - "L4": 1.51472250142153, - "L5": 1.24053078785944, - "L2": 1.460333921793, - "L3": 1.5354832863145, - "a7": 122.885415698112, - "L1": 1.32322163446911, + "a1": 121.792713164991, + "L4": 1.52279831944767, + "L5": 1.23354371527903, + "L2": 1.45614861375648, + "L3": 1.52214854157846, + "a7": 123.277164963009, + "L1": 1.32866127367325, "sidechain_ARG": null, - "sidechain_TYR": 34, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 113.552937656954, - "bs": 14.0, - "a2": 113.254228282946, - "a5": 121.199752897623, + "a3": 110.239939372933, + "bs": 101.0, + "a2": 110.124439592193, + "a5": 120.498111578426, "sidechain_LEU": null, - "chainIndex": 354, + "chainIndex": 266, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.491950116367 + "a4": 110.171193121597 } }, { - "pk": 1000, + "pk": 999, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.107054118578, - "psi": -50.8589377202763, - "oldID": "129", - "bg": 90.35, + "sidechain_ASP": 66, + "a6": 116.82454052656, + "psi": -34.4421487056069, + "oldID": "268", + "bg": 103.32, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9999932714842, + "zeta": 33.8925355865893, "sidechain_PHE": null, - "sidechain_LYS": 64, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1002, + "next": 1000, "sidechain_SER": null, - "bm": 86.0, + "bm": 99.0, "xpr": false, "prev": 998, "terminal_flag": false, - "phi": -81.7833357120036, + "phi": -60.4737785445834, "chainID": "A", "sidechain_GLN": null, - "ome": 179.853447088214, - "chi2": -65.463782991328, - "chi3": 177.78044972001, - "chi1": -61.7144025135371, - "chi4": 176.977767491813, + "ome": 178.58096692431, + "chi2": -55.3137179762377, + "chi3": null, + "chi1": -87.0248574516069, + "chi4": null, "chi5": null, - "a1": 123.223924047359, - "L4": 1.52344336329476, - "L5": 1.23151098063324, - "L2": 1.46407900440389, - "L3": 1.53049302068123, - "a7": 123.143421821745, - "L1": 1.33175842244863, + "a1": 121.801187951282, + "L4": 1.52999348450374, + "L5": 1.2320438660216, + "L2": 1.45847389216286, + "L3": 1.53166826625657, + "a7": 122.600504925992, + "L1": 1.33073810523591, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.906612929596, - "bs": 91.0, - "a2": 109.928729810046, - "a5": 120.743256849321, + "ss": "H", + "a3": 111.913545751543, + "bs": 103.0, + "a2": 110.485198334308, + "a5": 120.574953639918, "sidechain_LEU": null, - "chainIndex": 128, + "chainIndex": 267, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.906378314712 + "a4": 110.203072321847 } }, { - "pk": 1001, + "pk": 1000, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.080725464687, - "psi": -12.7428015324728, - "oldID": "356", - "bg": 18.72, - "sidechain_CYS": 22, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.6901872539854, + "a6": 115.258957552228, + "psi": -51.6615080210074, + "oldID": "269", + "bg": 95.16, + "sidechain_CYS": null, + "sidechain_ILE": 53, + "protein": "1TWF", + "zeta": 35.4291060670418, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1003, + "next": 1001, "sidechain_SER": null, - "bm": 16.0, + "bm": 96.0, "xpr": false, "prev": 999, "terminal_flag": false, - "phi": -67.7431004775009, + "phi": -61.2346056861838, "chainID": "A", "sidechain_GLN": null, - "ome": 176.470345775465, - "chi2": null, + "ome": -179.446960181255, + "chi2": -177.131745539299, "chi3": null, - "chi1": -64.8210467699373, + "chi1": -71.6617340754872, "chi4": null, "chi5": null, - "a1": 119.564276185827, - "L4": 1.51979085428022, - "L5": 1.22726140558005, - "L2": 1.45696013707948, - "L3": 1.52256829130118, - "a7": 123.13482434803, - "L1": 1.31824528221057, + "a1": 120.976334880182, + "L4": 1.51858312323706, + "L5": 1.23092418088263, + "L2": 1.45548324045974, + "L3": 1.54629161459273, + "a7": 123.42501785203, + "L1": 1.32928686622723, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 114.282324248853, - "bs": 17.0, - "a2": 111.135060200412, - "a5": 119.751843328021, + "a3": 106.76448512896, + "bs": 95.0, + "a2": 111.728267769771, + "a5": 121.311755582693, "sidechain_LEU": null, - "chainIndex": 355, + "chainIndex": 268, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.8254430538 + "a4": 108.415812068159 } }, { - "pk": 1002, + "pk": 1001, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 58, - "a6": 116.74348121065, - "psi": 106.066896581666, - "oldID": "130", - "bg": 96.79, + "sidechain_ASP": null, + "a6": 116.57184997733, + "psi": -41.6057409823867, + "oldID": "270", + "bg": 97.36, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.5552004676199, + "zeta": 34.7303296811546, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1004, + "next": 1002, "sidechain_SER": null, - "bm": 91.0, + "bm": 95.0, "xpr": false, "prev": 1000, "terminal_flag": false, - "phi": -56.7981293737206, + "phi": -60.702469039479, "chainID": "A", "sidechain_GLN": null, - "ome": 179.70936778978, - "chi2": -28.7848171170289, + "ome": 179.404621089079, + "chi2": 47.5311866090464, "chi3": null, - "chi1": -169.971888343204, + "chi1": -165.943189971904, "chi4": null, "chi5": null, - "a1": 121.719741915607, - "L4": 1.51701907658568, - "L5": 1.22848118215916, - "L2": 1.45707256191497, - "L3": 1.52611808826777, - "a7": 122.859637278159, - "L1": 1.32830538465347, + "a1": 122.08839281095, + "L4": 1.52144205319715, + "L5": 1.23104615163254, + "L2": 1.45071489730374, + "L3": 1.52657004493157, + "a7": 122.798320601899, + "L1": 1.32698695904163, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.351877101961, - "bs": 96.0, - "a2": 110.395116947115, - "a5": 120.396706308859, - "sidechain_LEU": null, - "chainIndex": 129, + "ss": "H", + "a3": 111.022991796633, + "bs": 97.0, + "a2": 109.293085830393, + "a5": 120.629818089332, + "sidechain_LEU": 82, + "chainIndex": 269, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.662608478751 + "a4": 110.542884590899 } }, { - "pk": 1003, + "pk": 1002, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.353693715115, - "psi": -16.3441934668649, - "oldID": "357", - "bg": 0.0, + "a6": 116.071503120324, + "psi": -64.6838524005814, + "oldID": "271", + "bg": 95.64, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3518047161451, + "protein": "1TWF", + "zeta": 34.81090063003, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 59, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1005, + "next": 1003, "sidechain_SER": null, - "bm": 14.0, + "bm": 94.0, "xpr": false, "prev": 1001, "terminal_flag": false, - "phi": -66.8916295935602, + "phi": -53.049826644331, "chainID": "A", "sidechain_GLN": null, - "ome": 178.473296227102, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.500278012007, + "chi2": -176.718294193544, + "chi3": 179.217359312718, + "chi1": -69.7538078421233, + "chi4": 179.108595626925, "chi5": null, - "a1": 120.117987224497, - "L4": 1.53557741539663, - "L5": 1.23640849801252, - "L2": 1.46435625375628, - "L3": 1.51703320132381, - "a7": 122.468536910688, - "L1": 1.3220155280362, + "a1": 120.910008208542, + "L4": 1.51954547624845, + "L5": 1.23404331800592, + "L2": 1.4573979228884, + "L3": 1.52707352198229, + "a7": 123.253826095239, + "L1": 1.32809755035989, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.359918086576, - "bs": 15.0, - "a2": 111.166155437661, - "a5": 120.156451340283, + "ss": "H", + "a3": 110.353955033864, + "bs": 96.0, + "a2": 110.421869326282, + "a5": 120.67466930788, "sidechain_LEU": null, - "chainIndex": 356, + "chainIndex": 270, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.550598355427 + "a4": 109.455963663308 } }, { - "pk": 1004, + "pk": 1003, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.145020259741, - "psi": -29.6162525989592, - "oldID": "131", - "bg": 91.63, + "a6": 116.548918164257, + "psi": -40.6102284482977, + "oldID": "272", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5879646221596, + "zeta": 34.5140016788394, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1006, - "sidechain_SER": 44, - "bm": 89.0, + "next": 1004, + "sidechain_SER": null, + "bm": 92.0, "xpr": false, "prev": 1002, "terminal_flag": false, - "phi": -50.766375481867, + "phi": -49.7232075334415, "chainID": "A", "sidechain_GLN": null, - "ome": 179.928337482836, + "ome": -179.680769019236, "chi2": null, "chi3": null, - "chi1": 52.2594501043858, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.663456001504, - "L4": 1.52793479356416, - "L5": 1.22981938921446, - "L2": 1.45341639249284, - "L3": 1.52358083431335, - "a7": 122.413287784217, - "L1": 1.32620878957836, + "a1": 121.646970192348, + "L4": 1.52536177962919, + "L5": 1.23022279365135, + "L2": 1.45805449213661, + "L3": 1.52417148895816, + "a7": 122.922052124019, + "L1": 1.32938752501029, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.463325350403, - "bs": 91.0, - "a2": 110.13182693585, - "a5": 120.437679213273, + "a3": 110.630988905455, + "bs": 92.0, + "a2": 110.13580556335, + "a5": 120.528771808273, "sidechain_LEU": null, - "chainIndex": 130, + "chainIndex": 271, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.676872720308 + "a4": 110.020230834649 } }, { - "pk": 1005, + "pk": 1004, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 33, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.784908391038, - "psi": 3.24655510027489, - "oldID": "358", - "bg": 15.68, + "a6": 116.146187529449, + "psi": -34.0659902674016, + "oldID": "273", + "bg": 87.64, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.351245195769, + "protein": "1TWF", + "zeta": 34.6323656179903, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 46, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1007, + "next": 1005, "sidechain_SER": null, - "bm": 15.0, + "bm": 91.0, "xpr": false, "prev": 1003, "terminal_flag": false, - "phi": -77.4886233698185, + "phi": -60.2214747105631, "chainID": "A", "sidechain_GLN": null, - "ome": 177.716590240701, - "chi2": null, + "ome": 179.993760324229, + "chi2": 64.7904732396765, "chi3": null, - "chi1": 66.0423740012804, + "chi1": -161.934713291393, "chi4": null, "chi5": null, - "a1": 120.90128908869, - "L4": 1.52630247981089, - "L5": 1.22457904350274, - "L2": 1.46958330814013, - "L3": 1.56855464825786, - "a7": 122.512815481981, - "L1": 1.33627522198382, + "a1": 121.398833240237, + "L4": 1.52064685291785, + "L5": 1.22745871177182, + "L2": 1.45684855755225, + "L3": 1.53556520381944, + "a7": 122.979237924374, + "L1": 1.32975695222978, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 115.036239985506, - "bs": 16.0, - "a2": 113.414167918817, - "a5": 119.699874810991, + "ss": "H", + "a3": 109.582610717816, + "bs": 87.0, + "a2": 110.470239557423, + "a5": 120.869575330462, "sidechain_LEU": null, - "chainIndex": 357, + "chainIndex": 272, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.43210026202 + "a4": 109.993698074026 } }, { - "pk": 1006, + "pk": 1005, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.013803004368, - "psi": -40.340174995571, - "oldID": "132", - "bg": 89.84, + "a6": 116.794355110825, + "psi": -40.4346174944765, + "oldID": "274", + "bg": 97.26, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 54, "protein": "1TWF", - "zeta": 34.8045036055369, + "zeta": 34.3794113656732, "sidechain_PHE": null, - "sidechain_LYS": 65, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1008, + "next": 1006, "sidechain_SER": null, - "bm": 85.0, + "bm": 94.0, "xpr": false, "prev": 1004, "terminal_flag": false, - "phi": -75.7648703517565, + "phi": -77.3595565711247, "chainID": "A", "sidechain_GLN": null, - "ome": -179.894230147551, - "chi2": 179.870146968444, - "chi3": -177.806264817008, - "chi1": -62.7829572220558, - "chi4": 179.31709303564, + "ome": 179.727482535578, + "chi2": 174.504987447226, + "chi3": null, + "chi1": -64.6650086873768, + "chi4": null, "chi5": null, - "a1": 120.873009499027, - "L4": 1.52293111476827, - "L5": 1.22993735847967, - "L2": 1.45852250917389, - "L3": 1.52879956782208, - "a7": 123.303257018316, - "L1": 1.32894167985245, + "a1": 121.497230332991, + "L4": 1.52853117247573, + "L5": 1.23193872799847, + "L2": 1.45569359018219, + "L3": 1.54023712809742, + "a7": 122.571972977177, + "L1": 1.32696693502539, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.45629199162, - "bs": 91.0, - "a2": 110.453291099922, - "a5": 120.681547333013, + "a3": 112.414208759426, + "bs": 97.0, + "a2": 110.475060095628, + "a5": 120.633624985616, "sidechain_LEU": null, - "chainIndex": 131, + "chainIndex": 273, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.102843291671 + "a4": 109.49686941277 } }, { - "pk": 1007, + "pk": 1006, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.971356392273, - "psi": -7.18221616371653, - "oldID": "359", - "bg": 0.0, + "a6": 115.647103459731, + "psi": -10.7428778171818, + "oldID": "275", + "bg": 99.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.7739156948911, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1009, - "sidechain_SER": null, - "bm": 17.0, + "next": 1007, + "sidechain_SER": 44, + "bm": 97.0, "xpr": false, "prev": 1005, "terminal_flag": false, - "phi": -72.8207686778695, + "phi": -70.7306824687458, "chainID": "A", "sidechain_GLN": null, - "ome": 173.216993769755, + "ome": 179.720024944134, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 64.1544955809479, "chi4": null, "chi5": null, - "a1": 120.792632347114, - "L4": 1.51773266293611, - "L5": 1.21349272178128, - "L2": 1.44361999259549, - "L3": null, - "a7": 122.455568895113, - "L1": 1.33104285971532, + "a1": 120.493107768371, + "L4": 1.523778311308, + "L5": 1.23004436282893, + "L2": 1.45591625895142, + "L3": 1.52769710238861, + "a7": 123.195962114454, + "L1": 1.32824478848687, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.823027260249, - "bs": 0.0, - "a2": null, - "a5": 119.545567778752, + "ss": "H", + "a3": 109.162433893096, + "bs": 98.0, + "a2": 110.458574378216, + "a5": 121.155230264612, "sidechain_LEU": null, - "chainIndex": 358, + "chainIndex": 274, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.804380837609 } }, { - "pk": 1008, + "pk": 1007, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.140782991561, - "psi": -28.8723164520419, - "oldID": "133", - "bg": 81.95, + "a6": 116.130588210144, + "psi": -28.3062157653275, + "oldID": "276", + "bg": 96.87, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1363331610009, + "zeta": 35.3556231086077, "sidechain_PHE": null, - "sidechain_LYS": 66, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1010, + "next": 1008, "sidechain_SER": null, - "bm": 80.0, + "bm": 100.0, "xpr": false, "prev": 1006, "terminal_flag": false, - "phi": -73.2104675052428, + "phi": -91.2564369291295, "chainID": "A", "sidechain_GLN": null, - "ome": -179.506720244219, - "chi2": -114.606965601297, - "chi3": 176.841192690422, - "chi1": -75.9432032757085, - "chi4": 176.433378748045, + "ome": -179.978751154203, + "chi2": 67.9914756655749, + "chi3": null, + "chi1": -179.979545052469, + "chi4": null, "chi5": null, - "a1": 122.285670806693, - "L4": 1.52238534557873, - "L5": 1.22929738138937, - "L2": 1.45884129256476, - "L3": 1.53194003974091, - "a7": 123.11118452988, - "L1": 1.32947113148265, + "a1": 122.204376930549, + "L4": 1.52183275665047, + "L5": 1.22978951276331, + "L2": 1.4544352848264, + "L3": 1.52664867552107, + "a7": 122.764807035976, + "L1": 1.32778900314583, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.30077137313, - "bs": 82.0, - "a2": 110.150538412809, - "a5": 120.745723363298, - "sidechain_LEU": null, - "chainIndex": 132, + "a3": 108.937450163241, + "bs": 96.0, + "a2": 109.807117965615, + "a5": 121.104423865785, + "sidechain_LEU": 83, + "chainIndex": 275, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.021643638944 + "a4": 109.662962688806 } }, { - "pk": 1009, + "pk": 1008, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.487922218841, - "psi": 142.927174953784, - "oldID": "360", - "bg": 22.98, + "a6": 115.92224977032, + "psi": -29.1995643875676, + "oldID": "277", + "bg": 108.54, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2879581620498, + "protein": "1TWF", + "zeta": 34.6651042038904, "sidechain_PHE": null, - "sidechain_LYS": 67, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1011, + "next": 1009, "sidechain_SER": null, - "bm": 17.0, + "bm": 106.0, "xpr": false, "prev": 1007, "terminal_flag": false, - "phi": -64.8242558400165, + "phi": -87.0940770495194, "chainID": "A", "sidechain_GLN": null, - "ome": -177.637466108316, - "chi2": 165.046865588502, - "chi3": 175.317544093507, - "chi1": -64.2739158486299, - "chi4": 62.8310205372035, + "ome": -179.941160162983, + "chi2": -169.118129392535, + "chi3": 63.7932650789733, + "chi1": -60.0288627172381, + "chi4": null, "chi5": null, - "a1": 120.8436328736, - "L4": 1.54868968347053, - "L5": 1.24617270789911, - "L2": 1.47156662454074, - "L3": 1.52691596369424, - "a7": 121.803113364759, - "L1": 1.33076401526529, + "a1": 120.75244193905, + "L4": 1.51863578783678, + "L5": 1.23069005851505, + "L2": 1.45198289241329, + "L3": 1.52919213166124, + "a7": 122.949421881332, + "L1": 1.32645613724495, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 84, "omep": null, - "ss": "S", - "a3": 111.038270526961, - "bs": 23.0, - "a2": 110.526418792394, - "a5": 121.706435179071, + "ss": "H", + "a3": 109.77234508492, + "bs": 109.0, + "a2": 110.394578565205, + "a5": 121.125904518145, "sidechain_LEU": null, - "chainIndex": 359, + "chainIndex": 276, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.637624470733 + "a4": 109.933255365129 } }, { - "pk": 1010, + "pk": 1009, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.946093765261, - "psi": -51.4312331440138, - "oldID": "134", - "bg": 70.03, + "a6": 115.688823422102, + "psi": 37.6551219605351, + "oldID": "278", + "bg": 112.98, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2293790898437, + "zeta": 34.6467060704855, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 50, "sidechain_TRP": null, - "next": 1012, + "next": 1010, "sidechain_SER": null, - "bm": 74.0, + "bm": 113.0, "xpr": false, "prev": 1008, "terminal_flag": false, - "phi": -74.275044533624, + "phi": -84.760770207005, "chainID": "A", "sidechain_GLN": null, - "ome": -179.809883856912, - "chi2": -163.687003914279, - "chi3": -46.1939817125519, - "chi1": -163.314890411108, - "chi4": 118.223496319621, - "chi5": 0.00973113053379153, - "a1": 121.534482438742, - "L4": 1.51804414349791, - "L5": 1.23012972413479, - "L2": 1.45154771727628, - "L3": 1.52718858277197, - "a7": 123.287897713174, - "L1": 1.32877205323578, - "sidechain_ARG": 51, + "ome": 179.12821208948, + "chi2": null, + "chi3": null, + "chi1": -43.6124630783366, + "chi4": null, + "chi5": null, + "a1": 121.085174816633, + "L4": 1.52138791451679, + "L5": 1.23019948921066, + "L2": 1.45211734888314, + "L3": 1.52827394705174, + "a7": 123.097845162125, + "L1": 1.32654622009301, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.390790501916, - "bs": 68.0, - "a2": 110.720111858055, - "a5": 120.764722288995, + "a3": 110.122723365454, + "bs": 112.0, + "a2": 110.793449039233, + "a5": 121.210267990526, "sidechain_LEU": null, - "chainIndex": 133, + "chainIndex": 277, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.854639556406 + "a4": 109.423709776879 } }, { - "pk": 1011, + "pk": 1010, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 48, + "aa": "l", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.794873967221, - "psi": -33.0024235862937, - "oldID": "361", - "bg": 21.01, + "a6": 115.655777605338, + "psi": -40.8688735916493, + "oldID": "279", + "bg": 117.13, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.8837199374875, + "protein": "1TWF", + "zeta": 34.8760615299166, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1013, + "next": 1011, "sidechain_SER": null, - "bm": 19.0, + "bm": 118.0, "xpr": false, "prev": 1009, "terminal_flag": false, - "phi": -55.701196508349, + "phi": -139.162265422478, "chainID": "A", "sidechain_GLN": null, - "ome": -179.130112233411, - "chi2": 34.5077334426173, - "chi3": -29.4794419128, - "chi1": -25.4994075771032, - "chi4": 13.6972531074529, + "ome": 179.283111450251, + "chi2": 178.183513494266, + "chi3": null, + "chi1": -74.6572539882173, + "chi4": null, "chi5": null, - "a1": 121.546089331682, - "L4": 1.5164439468918, - "L5": 1.23730215864275, - "L2": 1.46272332040127, - "L3": 1.53792232244355, - "a7": 123.458781770216, - "L1": 1.32556887584442, + "a1": 122.197632836929, + "L4": 1.51071902068958, + "L5": 1.22862524403639, + "L2": 1.45343862820367, + "L3": 1.52856831302068, + "a7": 123.074574936239, + "L1": 1.32695392830028, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 2.35888142123192, - "ss": "T", - "a3": 112.860311895204, - "bs": 20.0, - "a2": 103.353761771389, - "a5": 118.743955970268, - "sidechain_LEU": null, - "chainIndex": 360, + "omep": null, + "ss": "H", + "a3": 107.360874383736, + "bs": 117.0, + "a2": 110.956269134562, + "a5": 121.269465487643, + "sidechain_LEU": 84, + "chainIndex": 278, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.768598518015 + "a4": 109.746817549642 } }, { - "pk": 1012, + "pk": 1011, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.394603442667, - "psi": -36.9070998407498, - "oldID": "135", - "bg": 74.06, + "a6": 115.815890672117, + "psi": -9.4665836803855, + "oldID": "280", + "bg": 124.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0943150299672, - "sidechain_PHE": 39, + "zeta": 34.7298769074051, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1014, + "next": 1012, "sidechain_SER": null, - "bm": 71.0, + "bm": 123.0, "xpr": false, "prev": 1010, "terminal_flag": false, - "phi": -51.9139327430312, + "phi": -79.0377112016563, "chainID": "A", "sidechain_GLN": null, - "ome": 179.780432963938, - "chi2": 67.7747878248118, - "chi3": null, - "chi1": -177.58671433796, + "ome": 179.209379856703, + "chi2": 176.998370544589, + "chi3": 58.6835117377957, + "chi1": -53.9441238616138, "chi4": null, "chi5": null, - "a1": 121.942923165455, - "L4": 1.51432714172722, - "L5": 1.22855188798043, - "L2": 1.45763668860606, - "L3": 1.53066118163452, - "a7": 123.70145798043, - "L1": 1.32954021966973, + "a1": 120.410836281688, + "L4": 1.52313584315211, + "L5": 1.22833122263567, + "L2": 1.44598684194885, + "L3": 1.52656124072969, + "a7": 123.514726294328, + "L1": 1.32458795834196, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 85, "omep": null, "ss": "H", - "a3": 109.081132900322, - "bs": 74.0, - "a2": 110.437432541863, - "a5": 120.903938501103, + "a3": 107.454297089683, + "bs": 124.0, + "a2": 109.993905657613, + "a5": 120.667936472051, "sidechain_LEU": null, - "chainIndex": 134, + "chainIndex": 279, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.454809202607 + "a4": 110.870311913895 } }, { - "pk": 1013, + "pk": 1012, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 59, - "a6": 116.627165864868, - "psi": 13.7241464575334, - "oldID": "362", - "bg": 23.96, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 115.48691755309, + "psi": -46.5283608077497, + "oldID": "281", + "bg": 129.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.1175112195866, + "protein": "1TWF", + "zeta": 35.1048142716977, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1015, + "next": 1013, "sidechain_SER": null, - "bm": 19.0, + "bm": 126.0, "xpr": false, "prev": 1011, "terminal_flag": false, - "phi": -99.0636334106671, + "phi": -94.872210252201, "chainID": "A", "sidechain_GLN": null, - "ome": 177.813373377364, - "chi2": -13.358900605229, + "ome": 179.396081561596, + "chi2": null, "chi3": null, - "chi1": 64.1249100246341, + "chi1": 174.726735912873, "chi4": null, "chi5": null, - "a1": 120.061456544825, - "L4": 1.52584892341243, - "L5": 1.22933762512754, - "L2": 1.45258125496094, - "L3": 1.52782527122374, - "a7": 123.048808837711, - "L1": 1.32830314432009, + "a1": 122.816813503978, + "L4": 1.52191678893198, + "L5": 1.23352270726359, + "L2": 1.46316795161156, + "L3": 1.53207455951108, + "a7": 123.269745839193, + "L1": 1.33305505003608, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.837419457118, - "bs": 24.0, - "a2": 111.503120300051, - "a5": 120.255067473791, + "ss": "S", + "a3": 108.944441771384, + "bs": 129.0, + "a2": 110.444349180312, + "a5": 121.241486537859, "sidechain_LEU": null, - "chainIndex": 361, - "sidechain_HIS": null, + "chainIndex": 280, + "sidechain_HIS": 39, "h_bond_energy": 0.0, - "a4": 111.284230171151 + "a4": 109.400515502941 } }, { - "pk": 1014, + "pk": 1013, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 34, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.241964087607, - "psi": -51.4688591245635, - "oldID": "136", - "bg": 0.0, + "a6": 116.747936493514, + "psi": 17.8165412430633, + "oldID": "282", + "bg": 126.59, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5879641394302, + "zeta": 34.8829300351544, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1016, + "next": 1014, "sidechain_SER": null, - "bm": 68.0, + "bm": 124.0, "xpr": false, "prev": 1012, "terminal_flag": false, - "phi": -71.7238037992735, + "phi": -93.2456173426376, "chainID": "A", "sidechain_GLN": null, - "ome": -179.377794926694, - "chi2": null, + "ome": -179.399582869206, + "chi2": -60.8280437855405, "chi3": null, - "chi1": null, + "chi1": -73.7517611219157, "chi4": null, "chi5": null, - "a1": 122.194834779972, - "L4": 1.52091618685536, - "L5": 1.23174049052066, - "L2": 1.45441545057871, - "L3": 1.51348580040121, - "a7": 123.05624288966, - "L1": 1.32814755720817, + "a1": 121.767101785408, + "L4": 1.52305649986499, + "L5": 1.22960546520837, + "L2": 1.45364272073514, + "L3": 1.53594401712111, + "a7": 122.796057984436, + "L1": 1.32724264383041, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.026489822128, - "bs": 67.0, - "a2": 109.836964360548, - "a5": 120.699342591574, + "ss": "S", + "a3": 109.566847585002, + "bs": 126.0, + "a2": 110.51669750326, + "a5": 120.455489109145, "sidechain_LEU": null, - "chainIndex": 135, + "chainIndex": 281, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.018227628949 + "a4": 109.593888118365 } }, { - "pk": 1015, + "pk": 1014, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.101741335096, - "psi": 159.543473523458, - "oldID": "363", - "bg": 18.57, + "a6": 117.24949204101, + "psi": 140.311497943512, + "oldID": "283", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.009373976054, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, - "sidechain_LYS": 68, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1017, + "next": 1015, "sidechain_SER": null, - "bm": 16.0, + "bm": 118.0, "xpr": false, "prev": 1013, "terminal_flag": false, - "phi": -117.815964995538, + "phi": 65.0154682760499, "chainID": "A", "sidechain_GLN": null, - "ome": -178.175106700655, - "chi2": -60.2644367220151, - "chi3": -172.649934292192, - "chi1": -60.523979788577, - "chi4": -158.523558502821, + "ome": -179.171402767799, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 121.447339792164, - "L4": 1.52178626481885, - "L5": 1.21869741031234, - "L2": 1.45672067483164, - "L3": 1.51870564081545, - "a7": 123.115200389904, - "L1": 1.32793324842605, + "a1": 120.036165067656, + "L4": 1.51451909143156, + "L5": 1.23146108012008, + "L2": 1.45116963643975, + "L3": null, + "a7": 122.266797958452, + "L1": 1.33037031175532, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 108.270240035716, - "bs": 21.0, - "a2": 111.309016353681, - "a5": 120.771257568555, + "a3": 108.833096079217, + "bs": 0.0, + "a2": null, + "a5": 120.483702899134, "sidechain_LEU": null, - "chainIndex": 362, + "chainIndex": 282, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.235386871358 + "a4": null } }, { - "pk": 1016, + "pk": 1015, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -124753,1478 +112588,1539 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.504548548908, - "psi": -27.5925588942674, - "oldID": "137", + "a6": 116.770766105467, + "psi": 158.763895498393, + "oldID": "284", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9838466528195, + "zeta": 34.5416385029972, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1018, + "next": 1016, "sidechain_SER": null, - "bm": 66.0, + "bm": 112.0, "xpr": false, "prev": 1014, "terminal_flag": false, - "phi": -61.1418129298935, + "phi": -157.699014339841, "chainID": "A", "sidechain_GLN": null, - "ome": 179.456033720179, + "ome": 179.688062544524, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.406885919267, - "L4": 1.53572657890271, - "L5": 1.2296140830933, - "L2": 1.45732336134913, - "L3": 1.52601414413533, - "a7": 123.099305994202, - "L1": 1.32912397035652, + "a1": 119.657295810546, + "L4": 1.51592777365031, + "L5": 1.22883091860806, + "L2": 1.45207684556893, + "L3": 1.5254674723986, + "a7": 122.316755069151, + "L1": 1.32487087633606, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.540137519337, - "bs": 66.0, - "a2": 109.823346287179, - "a5": 120.396143710893, + "ss": "-", + "a3": 112.185579757642, + "bs": 112.0, + "a2": 109.65095860173, + "a5": 120.90772462796, "sidechain_LEU": null, - "chainIndex": 136, + "chainIndex": 283, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.452217243264 + "a4": 110.102596707213 + } +}, +{ + "pk": 1016, + "model": "pgd_core.residue", + "fields": { + "aa": "p", + "sidechain_PRO": 61, + "sidechain_ASN": null, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.021658861346, + "psi": 155.555109405929, + "oldID": "285", + "bg": 109.37, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 37.7103274543992, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 1017, + "sidechain_SER": null, + "bm": 108.0, + "xpr": false, + "prev": 1015, + "terminal_flag": false, + "phi": -60.7914930629958, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.22103818739, + "chi2": 43.3865915032206, + "chi3": -39.2665717841589, + "chi1": -30.0945762537741, + "chi4": 20.9511701004501, + "chi5": null, + "a1": 122.872282672287, + "L4": 1.52805956122327, + "L5": 1.2295292914662, + "L2": 1.46536801101908, + "L3": 1.52538029840429, + "a7": 123.124025206363, + "L1": 1.34182105757997, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": -7.9647035679647, + "ss": "-", + "a3": 110.8631069955, + "bs": 109.0, + "a2": 103.057257091175, + "a5": 120.850358417615, + "sidechain_LEU": null, + "chainIndex": 284, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 112.255076493595 } }, { "pk": 1017, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.663177989922, - "psi": 130.170526810081, - "oldID": "364", - "bg": 0.0, + "a6": 116.701965472074, + "psi": -44.6732172845746, + "oldID": "286", + "bg": 110.84, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3966904608458, + "protein": "1TWF", + "zeta": 34.7524128105232, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1019, + "next": 1018, "sidechain_SER": null, - "bm": 15.0, + "bm": 105.0, "xpr": false, - "prev": 1015, + "prev": 1016, "terminal_flag": false, - "phi": -143.676408405134, + "phi": -64.876251823868, "chainID": "A", "sidechain_GLN": null, - "ome": 172.572120987707, + "ome": -179.940485769383, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -48.9461137765929, "chi4": null, "chi5": null, - "a1": 121.271675532582, - "L4": 1.52617847447949, - "L5": 1.22413483454248, - "L2": 1.44352483592688, - "L3": 1.52941740375046, - "a7": 123.149454986063, - "L1": 1.31735765567439, + "a1": 122.457865013649, + "L4": 1.53054240016346, + "L5": 1.23042630721303, + "L2": 1.4560111050888, + "L3": 1.52987653837319, + "a7": 122.619566364397, + "L1": 1.3271154280076, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.771172227796, - "bs": 15.0, - "a2": 110.206014404603, - "a5": 121.180151405079, + "ss": "H", + "a3": 112.612617761093, + "bs": 111.0, + "a2": 109.020272130538, + "a5": 120.677919628178, "sidechain_LEU": null, - "chainIndex": 363, - "sidechain_HIS": null, + "chainIndex": 285, + "sidechain_HIS": 40, "h_bond_energy": 0.0, - "a4": 110.229756198664 + "a4": 110.259084172032 } }, { "pk": 1018, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.215495073064, - "psi": -42.7677068864115, - "oldID": "138", - "bg": 67.84, + "a6": 116.941999557136, + "psi": -23.0346511435618, + "oldID": "287", + "bg": 101.38, "sidechain_CYS": null, - "sidechain_ILE": 55, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0964660712477, + "zeta": 34.6883709384367, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1020, + "next": 1019, "sidechain_SER": null, - "bm": 67.0, + "bm": 98.0, "xpr": false, - "prev": 1016, + "prev": 1017, "terminal_flag": false, - "phi": -81.2148998393383, + "phi": -79.3664183775481, "chainID": "A", "sidechain_GLN": null, - "ome": 179.972240436546, - "chi2": 174.325511614244, + "ome": -179.81809931139, + "chi2": null, "chi3": null, - "chi1": -65.8458704008763, + "chi1": -172.133105990115, "chi4": null, "chi5": null, - "a1": 123.124908015544, - "L4": 1.52855619242346, - "L5": 1.2268290199841, - "L2": 1.46675421253861, - "L3": 1.55418496424226, - "a7": 122.815506565418, - "L1": 1.33319609899754, + "a1": 121.655044349258, + "L4": 1.53032426525012, + "L5": 1.22822441665536, + "L2": 1.45982141002577, + "L3": 1.53631817769879, + "a7": 122.535395957073, + "L1": 1.32997923372387, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.183038424734, - "bs": 67.0, - "a2": 110.876081089995, - "a5": 120.96890550334, + "a3": 111.36111232958, + "bs": 101.0, + "a2": 109.993658863811, + "a5": 120.522579461817, "sidechain_LEU": null, - "chainIndex": 137, - "sidechain_HIS": null, + "chainIndex": 286, + "sidechain_HIS": 41, "h_bond_energy": 0.0, - "a4": 108.842259114601 + "a4": 109.800936260059 } }, { "pk": 1019, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.787818273974, - "psi": 145.920895721468, - "oldID": "365", + "a6": 116.142044086094, + "psi": -47.8543896963431, + "oldID": "288", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.443453369186, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1021, + "next": 1020, "sidechain_SER": null, - "bm": 13.0, + "bm": 92.0, "xpr": false, - "prev": 1017, + "prev": 1018, "terminal_flag": false, - "phi": -112.862630983537, + "phi": -65.034508782761, "chainID": "A", "sidechain_GLN": null, - "ome": 174.974217118567, + "ome": -179.981509053684, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 122.116299716022, - "L4": 1.53217809842097, - "L5": 1.23213890585185, - "L2": 1.44102515311089, - "L3": null, - "a7": 121.812930199313, - "L1": 1.32899524335448, + "a1": 121.256659553644, + "L4": 1.52111605723464, + "L5": 1.2294702584186, + "L2": 1.46049115015795, + "L3": 1.52115091709836, + "a7": 122.822053293716, + "L1": 1.33023420929382, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.083348511121, - "bs": 0.0, - "a2": null, - "a5": 120.399162301853, + "ss": "H", + "a3": 110.795181377479, + "bs": 92.0, + "a2": 110.286192278263, + "a5": 121.034457966423, "sidechain_LEU": null, - "chainIndex": 364, + "chainIndex": 287, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.892626660694 } }, { "pk": 1020, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.279846037568, - "psi": -30.4918984871005, - "oldID": "139", - "bg": 67.13, + "a6": 116.294332916122, + "psi": -41.5969089807462, + "oldID": "289", + "bg": 86.62, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 55, "protein": "1TWF", - "zeta": 34.7379188780709, + "zeta": 34.5054679250993, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 12, - "next": 1023, + "sidechain_TRP": null, + "next": 1021, "sidechain_SER": null, - "bm": 70.0, + "bm": 90.0, "xpr": false, - "prev": 1018, + "prev": 1019, "terminal_flag": false, - "phi": -64.2687098889401, + "phi": -63.6006413305122, "chainID": "A", "sidechain_GLN": null, - "ome": -179.981171970733, - "chi2": 69.8179836433066, + "ome": 179.77123023458, + "chi2": 177.592648386729, "chi3": null, - "chi1": 170.362435780009, + "chi1": -71.5929722383513, "chi4": null, "chi5": null, - "a1": 121.428968274458, - "L4": 1.52479305730853, - "L5": 1.23123904668752, - "L2": 1.45204557338574, - "L3": 1.52184993201699, - "a7": 122.947498948778, - "L1": 1.32611915137226, + "a1": 120.706676995076, + "L4": 1.51604633837264, + "L5": 1.22825719314825, + "L2": 1.45136355199818, + "L3": 1.53181709422022, + "a7": 123.069413793535, + "L1": 1.32538857056482, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.341469287626, - "bs": 67.0, - "a2": 109.844362455144, - "a5": 120.772591250333, + "a3": 110.300399971701, + "bs": 87.0, + "a2": 111.158740509986, + "a5": 120.636063066195, "sidechain_LEU": null, - "chainIndex": 138, + "chainIndex": 288, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.797613268824 + "a4": 109.2840781204 } }, { "pk": 1021, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.553820375564, - "psi": 155.601008938874, - "oldID": "366", - "bg": 15.4, + "a6": 116.392011226344, + "psi": -14.7536530830682, + "oldID": "290", + "bg": 93.13, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0646719832501, + "protein": "1TWF", + "zeta": 34.631234015294, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 47, + "sidechain_THR": null, "sidechain_TRP": null, "next": 1022, "sidechain_SER": null, - "bm": 13.0, + "bm": 91.0, "xpr": false, - "prev": 1019, + "prev": 1020, "terminal_flag": false, - "phi": -125.676070749216, + "phi": -59.8326505361386, "chainID": "A", "sidechain_GLN": null, - "ome": 173.225921797253, - "chi2": null, - "chi3": null, - "chi1": -176.099152859123, + "ome": 179.613561597277, + "chi2": 174.253603183798, + "chi3": 47.4066561503285, + "chi1": -71.2153768874935, "chi4": null, "chi5": null, - "a1": 118.997941685285, - "L4": 1.50841974454479, - "L5": 1.24331256809202, - "L2": 1.44523902788372, - "L3": 1.54972882790331, - "a7": 123.219975196695, - "L1": 1.32981531424658, + "a1": 121.203915522967, + "L4": 1.52507854450584, + "L5": 1.2283974577786, + "L2": 1.4549926819733, + "L3": 1.52699985999424, + "a7": 122.952973636857, + "L1": 1.32802311556694, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 86, "omep": null, - "ss": "E", - "a3": 109.409600272197, - "bs": 14.0, - "a2": 112.170246712766, - "a5": 121.219896236014, + "ss": "H", + "a3": 111.559530665939, + "bs": 93.0, + "a2": 110.14871358231, + "a5": 120.655014638581, "sidechain_LEU": null, - "chainIndex": 365, + "chainIndex": 289, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.914562769372 + "a4": 109.615727489985 } }, { "pk": 1022, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.661424862955, - "psi": 126.914361655218, - "oldID": "367", - "bg": 19.05, + "a6": 115.965240566627, + "psi": -53.6273117731019, + "oldID": "291", + "bg": 99.89, "sidechain_CYS": null, - "sidechain_ILE": 56, - "protein": "1H0H", - "zeta": 34.3922536596628, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 35.2325534324464, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1025, + "next": 1023, "sidechain_SER": null, - "bm": 15.0, + "bm": 91.0, "xpr": false, "prev": 1021, "terminal_flag": false, - "phi": -119.364796247397, + "phi": -78.0038237512347, "chainID": "A", "sidechain_GLN": null, - "ome": 176.040234508987, - "chi2": 177.966776108556, - "chi3": null, - "chi1": -54.5281594530384, + "ome": 179.625155703484, + "chi2": 80.2616084698544, + "chi3": 63.8854397691211, + "chi1": -162.274192787415, "chi4": null, "chi5": null, - "a1": 121.329239876254, - "L4": 1.53393295145164, - "L5": 1.23835031409039, - "L2": 1.46319846332825, - "L3": 1.53758582301067, - "a7": 123.409677187614, - "L1": 1.32695272697188, + "a1": 121.913092315472, + "L4": 1.52863843767759, + "L5": 1.22677876201489, + "L2": 1.45717467535129, + "L3": 1.53146931723193, + "a7": 123.043870921384, + "L1": 1.32933616647488, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 87, "omep": null, - "ss": "E", - "a3": 108.27605201214, - "bs": 18.0, - "a2": 111.159890283931, - "a5": 120.923395942888, + "ss": "H", + "a3": 108.302740351368, + "bs": 101.0, + "a2": 110.00761893649, + "a5": 120.990641689477, "sidechain_LEU": null, - "chainIndex": 366, + "chainIndex": 290, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.928197282146 + "a4": 109.811742357546 } }, { "pk": 1023, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.368161942091, - "psi": -23.5394560243426, - "oldID": "140", - "bg": 72.55, + "a6": 116.484989326425, + "psi": -37.6717436990208, + "oldID": "292", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7000820053188, + "zeta": 34.5362586797377, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 48, + "sidechain_THR": null, "sidechain_TRP": null, "next": 1024, "sidechain_SER": null, - "bm": 74.0, + "bm": 87.0, "xpr": false, - "prev": 1020, + "prev": 1022, "terminal_flag": false, - "phi": -72.579582539169, + "phi": -60.9016077731757, "chainID": "A", "sidechain_GLN": null, - "ome": -179.953180366065, + "ome": 179.294286801855, "chi2": null, "chi3": null, - "chi1": -48.5485336988236, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.324554022331, - "L4": 1.5243154049241, - "L5": 1.22921125983531, - "L2": 1.45395732692222, - "L3": 1.53638757886407, - "a7": 122.784166959995, - "L1": 1.32789065371131, + "a1": 121.808835830908, + "L4": 1.52236539607636, + "L5": 1.22988351482108, + "L2": 1.45504707141877, + "L3": 1.52147561472749, + "a7": 123.023106807177, + "L1": 1.32883083979097, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.592368171149, - "bs": 73.0, - "a2": 111.122918366501, - "a5": 120.847659435276, + "a3": 110.261434076602, + "bs": 87.0, + "a2": 110.129371284422, + "a5": 120.491901184669, "sidechain_LEU": null, - "chainIndex": 139, + "chainIndex": 291, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.939920417396 + "a4": 110.108544388384 } }, { "pk": 1024, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.252849949086, - "psi": -37.5594428034298, - "oldID": "141", - "bg": 78.35, + "a6": 116.027440746686, + "psi": -55.7460177148572, + "oldID": "293", + "bg": 90.63, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1407116053104, + "zeta": 34.8639015455826, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1026, + "next": 1025, "sidechain_SER": null, - "bm": 77.0, + "bm": 84.0, "xpr": false, "prev": 1023, "terminal_flag": false, - "phi": -91.5532072037427, + "phi": -53.1597094811893, "chainID": "A", "sidechain_GLN": null, - "ome": -177.84027117735, - "chi2": 62.6203965613729, - "chi3": null, - "chi1": -90.6477071964701, + "ome": -179.685773703673, + "chi2": -147.941656544488, + "chi3": 68.6964455249341, + "chi1": -87.3344215867646, "chi4": null, "chi5": null, - "a1": 121.319899112252, - "L4": 1.51962424330955, - "L5": 1.23077704992378, - "L2": 1.45492085843167, - "L3": 1.52734499055451, - "a7": 123.065276306909, - "L1": 1.32706082449727, + "a1": 121.174445187163, + "L4": 1.5120723263132, + "L5": 1.22994226574097, + "L2": 1.45626586555527, + "L3": 1.52355356758142, + "a7": 123.181749427349, + "L1": 1.33145256725407, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 88, "omep": null, "ss": "H", - "a3": 112.074204053236, - "bs": 78.0, - "a2": 110.648611952379, - "a5": 120.681049814452, - "sidechain_LEU": 83, - "chainIndex": 140, + "a3": 110.635057615812, + "bs": 91.0, + "a2": 111.35976472667, + "a5": 120.790805714893, + "sidechain_LEU": null, + "chainIndex": 292, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.268598913202 + "a4": 108.349685448754 } }, { "pk": 1025, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.779804948599, - "psi": 117.752283765377, - "oldID": "368", - "bg": 15.62, + "a6": 116.889144145276, + "psi": -34.1890647140288, + "oldID": "294", + "bg": 83.21, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3073722386837, + "protein": "1TWF", + "zeta": 34.3830283489843, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 25, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1027, - "sidechain_SER": null, - "bm": 15.0, + "next": 1026, + "sidechain_SER": 45, + "bm": 79.0, "xpr": false, - "prev": 1022, + "prev": 1024, "terminal_flag": false, - "phi": -106.982120070949, + "phi": -62.6525472170004, "chainID": "A", "sidechain_GLN": null, - "ome": 176.542103063462, - "chi2": 176.798289152803, - "chi3": 71.081667014031, - "chi1": -59.0954869579482, + "ome": 179.348599969283, + "chi2": null, + "chi3": null, + "chi1": 68.9279004314921, "chi4": null, "chi5": null, - "a1": 123.314466704886, - "L4": 1.52403810599518, - "L5": 1.22786228239365, - "L2": 1.45012711579095, - "L3": 1.54053969282704, - "a7": 122.013056372066, - "L1": 1.33007871486, + "a1": 120.651238538156, + "L4": 1.53015336768165, + "L5": 1.23118974598507, + "L2": 1.45032743081969, + "L3": 1.52795281231211, + "a7": 122.665145243721, + "L1": 1.32704820954131, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.846613933402, - "bs": 16.0, - "a2": 110.257183356023, - "a5": 121.152746614591, + "ss": "H", + "a3": 110.872028694623, + "bs": 82.0, + "a2": 110.237104166168, + "a5": 120.44571060792, "sidechain_LEU": null, - "chainIndex": 367, + "chainIndex": 293, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.018500326369 + "a4": 110.102066324537 } }, { "pk": 1026, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.439899559606, - "psi": -20.7318854592204, - "oldID": "142", - "bg": 74.04, - "sidechain_CYS": 23, + "a6": 115.048170695867, + "psi": -51.8114960000125, + "oldID": "295", + "bg": 74.02, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.771199809458, + "zeta": 35.2786873635636, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1028, + "next": 1027, "sidechain_SER": null, - "bm": 80.0, + "bm": 74.0, "xpr": false, - "prev": 1024, + "prev": 1025, "terminal_flag": false, - "phi": -85.0296766739481, + "phi": -61.7238297005359, "chainID": "A", "sidechain_GLN": null, - "ome": 179.943004863989, - "chi2": null, + "ome": 179.158625972358, + "chi2": 68.2245992428636, "chi3": null, - "chi1": -61.1046097553454, + "chi1": 177.002998493996, "chi4": null, "chi5": null, - "a1": 121.330516626861, - "L4": 1.5195574375596, - "L5": 1.23118664759826, - "L2": 1.45438878367257, - "L3": 1.52856957794014, - "a7": 122.250484275207, - "L1": 1.32845585706987, + "a1": 121.31673758485, + "L4": 1.52307325444402, + "L5": 1.23154408382976, + "L2": 1.45971961390827, + "L3": 1.52835067008664, + "a7": 123.695084991601, + "L1": 1.33157349579482, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 116.720849836505, - "bs": 76.0, - "a2": 109.455642688033, - "a5": 120.309509439996, - "sidechain_LEU": null, - "chainIndex": 141, + "a3": 108.786053690873, + "bs": 73.0, + "a2": 110.914609926318, + "a5": 121.252839574695, + "sidechain_LEU": 85, + "chainIndex": 294, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.752900732097 + "a4": 108.667379722714 } }, { "pk": 1027, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.293567630108, - "psi": 154.644616414741, - "oldID": "369", - "bg": 20.37, + "a6": 115.867934582735, + "psi": -55.1077195945834, + "oldID": "296", + "bg": 66.92, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9956676588294, + "protein": "1TWF", + "zeta": 35.2290003628855, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1029, + "next": 1028, "sidechain_SER": null, - "bm": 15.0, + "bm": 68.0, "xpr": false, - "prev": 1025, + "prev": 1026, "terminal_flag": false, - "phi": -143.674660386771, + "phi": -52.5879330861719, "chainID": "A", "sidechain_GLN": null, - "ome": -169.870487233093, - "chi2": 83.9708386978777, + "ome": 178.892079355329, + "chi2": 55.03166325713, "chi3": null, - "chi1": 84.1490862561892, + "chi1": -167.689643065147, "chi4": null, "chi5": null, - "a1": 119.781768132437, - "L4": 1.50155075344011, - "L5": 1.23399942637197, - "L2": 1.44004580228559, - "L3": 1.51693886210128, - "a7": 122.75981177633, - "L1": 1.32037580703499, + "a1": 122.931567102635, + "L4": 1.52872898460083, + "L5": 1.22918221806378, + "L2": 1.45497238976404, + "L3": 1.53428857815007, + "a7": 123.284868139442, + "L1": 1.33029693105519, "sidechain_ARG": null, - "sidechain_TYR": 35, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.486884354281, - "bs": 22.0, - "a2": 112.442503503232, - "a5": 121.930586288384, - "sidechain_LEU": null, - "chainIndex": 368, + "ss": "H", + "a3": 108.013171811982, + "bs": 66.0, + "a2": 109.654202885647, + "a5": 120.846412346796, + "sidechain_LEU": 86, + "chainIndex": 295, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.704456047942 + "a4": 110.302545528513 } }, { "pk": 1028, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.087098071444, - "psi": -21.6988158370494, - "oldID": "143", - "bg": 88.9, + "a6": 116.058395763792, + "psi": -49.3547419145524, + "oldID": "297", + "bg": 62.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.3994615272412, + "zeta": 35.3998624016113, "sidechain_PHE": null, - "sidechain_LYS": 69, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1030, + "next": 1029, "sidechain_SER": null, - "bm": 87.0, + "bm": 66.0, "xpr": false, - "prev": 1026, + "prev": 1027, "terminal_flag": false, - "phi": -69.5531828985437, + "phi": -47.8251388678317, "chainID": "A", - "sidechain_GLN": null, - "ome": 178.7690930268, - "chi2": -179.811219465724, - "chi3": -179.149080343205, - "chi1": 62.9379079162807, - "chi4": -179.505088751851, + "sidechain_GLN": 41, + "ome": -179.323393386328, + "chi2": 70.4726828208026, + "chi3": 74.0111708390702, + "chi1": 169.696268487244, + "chi4": null, "chi5": null, - "a1": 119.069329149598, - "L4": 1.52810106456793, - "L5": 1.22629725586961, - "L2": 1.44998143233758, - "L3": 1.52870928615598, - "a7": 122.736454031694, - "L1": 1.32507581128522, + "a1": 122.567550389774, + "L4": 1.51992164512267, + "L5": 1.22948081443497, + "L2": 1.45545221593341, + "L3": 1.53073993245681, + "a7": 123.087283594074, + "L1": 1.33040072502418, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.754717583324, - "bs": 89.0, - "a2": 110.586675207989, - "a5": 120.173570005438, + "ss": "H", + "a3": 110.194021294069, + "bs": 60.0, + "a2": 110.360028704391, + "a5": 120.854320416963, "sidechain_LEU": null, - "chainIndex": 142, + "chainIndex": 296, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.206190320647 + "a4": 108.758651394489 } }, { "pk": 1029, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.110121973856, - "psi": -92.406500954788, - "oldID": "370", - "bg": 0.0, + "a6": 117.09184055793, + "psi": -39.2541432646655, + "oldID": "298", + "bg": 70.12, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3446886494171, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 34.6266858470585, + "sidechain_PHE": 45, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1031, + "next": 1030, "sidechain_SER": null, - "bm": 22.0, + "bm": 69.0, "xpr": false, - "prev": 1027, + "prev": 1028, "terminal_flag": false, - "phi": -124.51030012027, + "phi": -57.4450251145488, "chainID": "A", "sidechain_GLN": null, - "ome": -172.655454707684, - "chi2": null, + "ome": 179.986027909598, + "chi2": 59.6493235964215, "chi3": null, - "chi1": null, + "chi1": -169.273827058129, "chi4": null, "chi5": null, - "a1": 117.366369480555, - "L4": 1.49595431345792, - "L5": 1.22276165633839, - "L2": 1.43873150091152, - "L3": 1.51677180441918, - "a7": 122.370236980785, - "L1": 1.31430590616246, + "a1": 121.821311595066, + "L4": 1.52406229065246, + "L5": 1.22812034475805, + "L2": 1.4548096588862, + "L3": 1.53185881733585, + "a7": 122.566371933639, + "L1": 1.32714207007409, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.459374963036, - "bs": 22.0, - "a2": 109.469383890658, - "a5": 120.45179440009, + "ss": "H", + "a3": 111.567228326838, + "bs": 69.0, + "a2": 110.250339580145, + "a5": 120.341758511454, "sidechain_LEU": null, - "chainIndex": 369, + "chainIndex": 297, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.4949032005 + "a4": 109.580846235457 } }, { "pk": 1030, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.080340235547, - "psi": -54.5894234219975, - "oldID": "144", - "bg": 94.08, + "a6": 116.941920046226, + "psi": -36.2386195334447, + "oldID": "299", + "bg": 75.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0360682865447, + "zeta": 33.6993720750248, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 49, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1033, + "next": 1031, "sidechain_SER": null, - "bm": 94.0, + "bm": 70.0, "xpr": false, - "prev": 1028, + "prev": 1029, "terminal_flag": false, - "phi": -73.2303725231966, + "phi": -77.435853689523, "chainID": "A", "sidechain_GLN": null, - "ome": 179.163846654472, + "ome": 179.1286013776, "chi2": null, "chi3": null, - "chi1": -65.6336043195304, + "chi1": -79.3377493270432, "chi4": null, "chi5": null, - "a1": 121.847858845384, - "L4": 1.52380204012046, - "L5": 1.22928609546013, - "L2": 1.46518388366094, - "L3": 1.54714691826229, - "a7": 123.317326519755, - "L1": 1.33270392234541, + "a1": 120.439995992598, + "L4": 1.51795518183265, + "L5": 1.22782290373965, + "L2": 1.45673241787281, + "L3": 1.52916383262708, + "a7": 122.853523637104, + "L1": 1.32866794745302, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 108.847750029943, - "bs": 94.0, - "a2": 112.122060425103, - "a5": 120.600831629095, + "ss": "H", + "a3": 112.942649965883, + "bs": 76.0, + "a2": 110.657675101103, + "a5": 120.204246604584, "sidechain_LEU": null, - "chainIndex": 143, - "sidechain_HIS": null, + "chainIndex": 298, + "sidechain_HIS": 42, "h_bond_energy": 0.0, - "a4": 107.977969346664 + "a4": 109.993034352769 } }, { "pk": 1031, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.992239061069, - "psi": -53.0953399874047, - "oldID": "371", - "bg": 29.32, + "a6": 115.932328881345, + "psi": -33.0678386594667, + "oldID": "300", + "bg": 60.88, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3591642695938, + "protein": "1TWF", + "zeta": 34.599347023712, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 26, + "sidechain_VAL": 76, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 1032, "sidechain_SER": null, - "bm": 29.0, + "bm": 68.0, "xpr": false, - "prev": 1029, + "prev": 1030, "terminal_flag": false, - "phi": -82.5019477123807, + "phi": -71.0971898664352, "chainID": "A", "sidechain_GLN": null, - "ome": -175.767521217109, - "chi2": 175.8548089864, - "chi3": 162.819241970383, - "chi1": -172.831520832227, + "ome": 179.665367942362, + "chi2": null, + "chi3": null, + "chi1": 176.875475452326, "chi4": null, "chi5": null, - "a1": 117.662725701844, - "L4": 1.53209294041291, - "L5": 1.25815035263013, - "L2": 1.44564081883372, - "L3": 1.50804262285094, - "a7": 122.894411062626, - "L1": 1.31768670295288, + "a1": 120.442962429137, + "L4": 1.52758781168242, + "L5": 1.23169664330417, + "L2": 1.45376807627754, + "L3": 1.53871738539791, + "a7": 123.126275735091, + "L1": 1.328867789737, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.175718176444, - "bs": 29.0, - "a2": 108.803871815668, - "a5": 121.084932921315, + "ss": "H", + "a3": 109.068989847889, + "bs": 63.0, + "a2": 111.293984529175, + "a5": 120.941074513052, "sidechain_LEU": null, - "chainIndex": 370, + "chainIndex": 299, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.99822637898 + "a4": 109.370701694218 } }, { "pk": 1032, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.864155126238, - "psi": -175.757020365256, - "oldID": "372", + "a6": 116.189098120255, + "psi": -51.1358790663104, + "oldID": "301", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.7575596825859, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1035, + "next": 1033, "sidechain_SER": null, - "bm": 30.0, + "bm": 70.0, "xpr": false, "prev": 1031, "terminal_flag": false, - "phi": 68.9331544777552, + "phi": -73.7970639098875, "chainID": "A", "sidechain_GLN": null, - "ome": 178.506358406925, + "ome": -179.92250111926, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.122775800308, - "L4": 1.52211315184458, - "L5": 1.23600076578967, - "L2": 1.45053603600193, - "L3": null, - "a7": 123.298391547114, - "L1": 1.32992074073664, + "a1": 122.541482854857, + "L4": 1.52555954049703, + "L5": 1.23051147768299, + "L2": 1.4600866859342, + "L3": 1.52593944496702, + "a7": 122.936366158261, + "L1": 1.33020280274787, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.551190602677, - "bs": 0.0, - "a2": null, - "a5": 119.821263173504, + "ss": "H", + "a3": 110.168557749301, + "bs": 68.0, + "a2": 109.920828458959, + "a5": 120.87446393336, "sidechain_LEU": null, - "chainIndex": 371, + "chainIndex": 300, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.026362969563 } }, { "pk": 1033, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.929064890693, - "psi": 124.978852725221, - "oldID": "145", - "bg": 98.36, + "a6": 116.783288182558, + "psi": -37.1506940510338, + "oldID": "302", + "bg": 76.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2571505317837, + "zeta": 34.5808239495047, "sidechain_PHE": null, - "sidechain_LYS": 70, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 51, "sidechain_TRP": null, "next": 1034, "sidechain_SER": null, - "bm": 98.0, + "bm": 74.0, "xpr": false, - "prev": 1030, + "prev": 1032, "terminal_flag": false, - "phi": -57.0985979876572, + "phi": -59.4885405248708, "chainID": "A", "sidechain_GLN": null, - "ome": 179.942791316357, - "chi2": -69.609642940363, - "chi3": 177.7923053928, - "chi1": -80.764812806323, - "chi4": -171.886241174032, + "ome": 179.544441401433, + "chi2": null, + "chi3": null, + "chi1": -64.7001939017281, + "chi4": null, "chi5": null, - "a1": 122.389458365051, - "L4": 1.51549199960134, - "L5": 1.23145843138555, - "L2": 1.46241383352009, - "L3": 1.53456532303255, - "a7": 123.396750950528, - "L1": 1.33301076919413, + "a1": 121.187346365067, + "L4": 1.52608796978683, + "L5": 1.22719650172601, + "L2": 1.45341941962737, + "L3": 1.54040369714796, + "a7": 122.681739684847, + "L1": 1.32863081863999, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.289870633302, - "bs": 99.0, - "a2": 111.217248704993, - "a5": 120.672226543528, + "ss": "H", + "a3": 111.10751388119, + "bs": 76.0, + "a2": 111.382195422427, + "a5": 120.534707935096, "sidechain_LEU": null, - "chainIndex": 144, + "chainIndex": 301, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.368188459823 + "a4": 108.730572536349 } }, { "pk": 1034, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.223456131282, - "psi": 24.2188700357335, - "oldID": "146", - "bg": 107.56, + "a6": 116.393233360413, + "psi": -59.7956526774195, + "oldID": "303", + "bg": 74.64, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8820718677125, + "zeta": 34.602059499763, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 27, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1036, + "next": 1035, "sidechain_SER": null, - "bm": 99.0, + "bm": 80.0, "xpr": false, "prev": 1033, "terminal_flag": false, - "phi": -125.060703120865, + "phi": -56.1238697489554, "chainID": "A", "sidechain_GLN": null, - "ome": 179.579642117721, - "chi2": 142.758492516659, - "chi3": -52.9427271485145, - "chi1": -51.283967590029, + "ome": -179.366053170398, + "chi2": 53.6803090354405, + "chi3": null, + "chi1": 170.659596292045, "chi4": null, "chi5": null, - "a1": 121.932034236418, - "L4": 1.52246535055995, - "L5": 1.22823931133662, - "L2": 1.45661914707999, - "L3": 1.52278196087309, - "a7": 123.322497337956, - "L1": 1.32593076136918, + "a1": 121.107564694158, + "L4": 1.52702797804899, + "L5": 1.22918294116523, + "L2": 1.45616481392133, + "L3": 1.53394366271062, + "a7": 122.780950104884, + "L1": 1.32837207018431, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 24, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.446901208103, - "bs": 109.0, - "a2": 109.468629001517, - "a5": 121.453632068469, + "ss": "H", + "a3": 110.990536043535, + "bs": 74.0, + "a2": 110.10765686682, + "a5": 120.825030282854, "sidechain_LEU": null, - "chainIndex": 145, + "chainIndex": 302, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.504726269089 + "a4": 109.934743399751 } }, { "pk": 1035, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.468753602677, - "psi": 145.039909903476, - "oldID": "373", - "bg": 26.37, + "a6": 116.933324125117, + "psi": -31.6829935626441, + "oldID": "304", + "bg": 92.27, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0978871045049, + "protein": "1TWF", + "zeta": 34.7828590331526, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 25, "sidechain_THR": null, - "sidechain_TRP": 13, - "next": 1037, + "sidechain_TRP": null, + "next": 1036, "sidechain_SER": null, - "bm": 26.0, + "bm": 92.0, "xpr": false, - "prev": 1032, + "prev": 1034, "terminal_flag": false, - "phi": -66.1996795514045, + "phi": -71.575671796711, "chainID": "A", "sidechain_GLN": null, - "ome": -178.465805954667, - "chi2": 50.9521706522019, - "chi3": null, - "chi1": -79.3491931896263, + "ome": -178.071455944184, + "chi2": -179.747261160732, + "chi3": -74.3440712776102, + "chi1": -59.3162636471241, "chi4": null, "chi5": null, - "a1": 121.73556263731, - "L4": 1.51702307446442, - "L5": 1.24589461242905, - "L2": 1.45749843726549, - "L3": 1.52460671450305, - "a7": 122.163966074612, - "L1": 1.32919727908848, + "a1": 121.422065277435, + "L4": 1.52141282304523, + "L5": 1.2282061461501, + "L2": 1.45311033662261, + "L3": 1.52967895855636, + "a7": 122.425038685353, + "L1": 1.32761225547215, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.098358841239, - "bs": 26.0, - "a2": 110.937727544852, - "a5": 122.298749361046, + "ss": "H", + "a3": 112.153926297719, + "bs": 92.0, + "a2": 110.22918617447, + "a5": 120.633667308068, "sidechain_LEU": null, - "chainIndex": 372, + "chainIndex": 303, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.028947282206 + "a4": 109.203410238066 } }, { "pk": 1036, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.026727053842, - "psi": 136.229537398147, - "oldID": "147", - "bg": 95.22, + "sidechain_ASP": 67, + "a6": 116.48789140015, + "psi": 106.774025515392, + "oldID": "305", + "bg": 110.39, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9397399107, + "zeta": 35.1703457963161, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 75, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1038, + "next": 1037, "sidechain_SER": null, - "bm": 94.0, + "bm": 108.0, "xpr": false, - "prev": 1034, + "prev": 1035, "terminal_flag": false, - "phi": -144.224684498337, + "phi": -157.215921180364, "chainID": "A", "sidechain_GLN": null, - "ome": -179.905136674849, - "chi2": null, + "ome": 179.267249540871, + "chi2": 69.8477557830751, "chi3": null, - "chi1": 171.927101406406, + "chi1": 161.937597502084, "chi4": null, "chi5": null, - "a1": 122.477574874006, - "L4": 1.52186243545922, - "L5": 1.23251691278958, - "L2": 1.45010226910434, - "L3": 1.54087695994471, - "a7": 123.237347203866, - "L1": 1.32562592576615, + "a1": 119.876954226558, + "L4": 1.52448987008293, + "L5": 1.22694894878022, + "L2": 1.45022814505215, + "L3": 1.52688432866217, + "a7": 122.858627282928, + "L1": 1.32470500763039, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 108.098844132058, - "bs": 95.0, - "a2": 111.078221435369, - "a5": 120.730439533908, + "ss": "-", + "a3": 113.798684433338, + "bs": 110.0, + "a2": 108.450005143335, + "a5": 120.651486863314, "sidechain_LEU": null, - "chainIndex": 146, + "chainIndex": 304, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.440110511004 + "a4": 109.931972380152 } }, { "pk": 1037, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 35, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.138004505356, - "psi": -23.3643584276728, - "oldID": "374", - "bg": 27.64, + "a6": 115.84682305613, + "psi": 95.3733292690155, + "oldID": "306", + "bg": 122.81, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5889452642686, + "protein": "1TWF", + "zeta": 34.2960495883936, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 50, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1039, + "next": 1038, "sidechain_SER": null, - "bm": 26.0, + "bm": 121.0, "xpr": false, - "prev": 1035, + "prev": 1036, "terminal_flag": false, - "phi": -82.0462397902025, + "phi": -87.7849950900809, "chainID": "A", "sidechain_GLN": null, - "ome": 176.768203969488, - "chi2": null, + "ome": 179.551986590013, + "chi2": -53.6765041651304, "chi3": null, - "chi1": 44.3044434733464, + "chi1": -167.038459090184, "chi4": null, "chi5": null, - "a1": 119.124091256429, - "L4": 1.52553891921093, - "L5": 1.2261411184851, - "L2": 1.45894154146488, - "L3": 1.52484210449482, - "a7": 123.120609304938, - "L1": 1.31380018401626, + "a1": 121.269490664951, + "L4": 1.52644039353824, + "L5": 1.23182343028046, + "L2": 1.45767924314049, + "L3": 1.53618873604326, + "a7": 123.170566990075, + "L1": 1.32903175810977, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.406279467174, - "bs": 26.0, - "a2": 109.701727059268, - "a5": 119.688468678368, + "ss": "-", + "a3": 109.781055169748, + "bs": 123.0, + "a2": 110.803787488577, + "a5": 120.975067024879, "sidechain_LEU": null, - "chainIndex": 373, + "chainIndex": 305, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.813859911165 + "a4": 110.056962933866 } }, { "pk": 1038, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.280549860923, - "psi": 94.4596568403349, - "oldID": "148", - "bg": 80.59, - "sidechain_CYS": 24, + "sidechain_ASP": 68, + "a6": 116.269610805888, + "psi": 55.1880626657205, + "oldID": "307", + "bg": 132.67, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9712829309445, + "zeta": 34.9214587794631, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1040, + "next": 1039, "sidechain_SER": null, - "bm": 90.0, + "bm": 131.0, "xpr": false, - "prev": 1036, + "prev": 1037, "terminal_flag": false, - "phi": -86.7920154874649, + "phi": -177.466170456074, "chainID": "A", "sidechain_GLN": null, - "ome": -178.661714638879, - "chi2": null, + "ome": 179.998258833149, + "chi2": -49.8005195035846, "chi3": null, - "chi1": -179.068026142943, + "chi1": -158.493699019071, "chi4": null, "chi5": null, - "a1": 122.062349032352, - "L4": 1.52402217146432, - "L5": 1.22590976245195, - "L2": 1.45773720568011, - "L3": 1.53217702874371, - "a7": 122.796956557203, - "L1": 1.32710055571304, + "a1": 122.154683297752, + "L4": 1.52609724147498, + "L5": 1.23232780700343, + "L2": 1.45963650348177, + "L3": 1.53437239373334, + "a7": 122.868024455796, + "L1": 1.32921546035096, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.082094583018, - "bs": 83.0, - "a2": 109.74341382428, - "a5": 120.922488507143, + "a3": 108.651110626047, + "bs": 132.0, + "a2": 110.515604539871, + "a5": 120.860160501585, "sidechain_LEU": null, - "chainIndex": 147, + "chainIndex": 306, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.298799919664 + "a4": 109.711812466388 } }, { "pk": 1039, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.818301183499, - "psi": 124.527351758093, - "oldID": "375", - "bg": 31.45, + "a6": 116.717799700132, + "psi": -133.011663536404, + "oldID": "308", + "bg": 137.28, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.0735827152608, + "sidechain_ILE": 56, + "protein": "1TWF", + "zeta": 34.3933656169512, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1042, + "next": 1040, "sidechain_SER": null, - "bm": 26.0, + "bm": 138.0, "xpr": false, - "prev": 1037, + "prev": 1038, "terminal_flag": false, - "phi": -67.9753530859077, + "phi": -127.221069443918, "chainID": "A", - "sidechain_GLN": 39, - "ome": -179.158565617208, - "chi2": 179.630576715016, - "chi3": 27.8750901780343, - "chi1": -84.8189761686663, + "sidechain_GLN": null, + "ome": -179.275412967567, + "chi2": 91.7515320345069, + "chi3": null, + "chi1": -35.6695212032337, "chi4": null, "chi5": null, - "a1": 121.272167644022, - "L4": 1.523515617359, - "L5": 1.23200911033881, - "L2": 1.45638002730688, - "L3": 1.53288767129407, - "a7": 122.518959244125, - "L1": 1.33068715601173, + "a1": 121.292921141293, + "L4": 1.52792359863345, + "L5": 1.23035364307992, + "L2": 1.4592197016999, + "L3": 1.5503350597409, + "a7": 122.617030970918, + "L1": 1.32989203617715, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 106.827880964558, - "bs": 32.0, - "a2": 110.173567604961, - "a5": 118.634463981197, + "a3": 111.958194472635, + "bs": 137.0, + "a2": 111.802173379031, + "a5": 120.663385758683, "sidechain_LEU": null, - "chainIndex": 374, + "chainIndex": 307, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.147351383083 + "a4": 108.364295158432 } }, { "pk": 1040, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.472250703259, - "psi": 140.290421875867, - "oldID": "149", - "bg": 93.71, + "a6": 117.043514465899, + "psi": 55.9106944098953, + "oldID": "309", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4244965035278, + "zeta": 34.2323973414741, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -126233,528 +114129,528 @@ "sidechain_TRP": null, "next": 1041, "sidechain_SER": null, - "bm": 91.0, + "bm": 144.0, "xpr": false, - "prev": 1038, + "prev": 1039, "terminal_flag": false, - "phi": -59.5070913751233, + "phi": -89.5633983497001, "chainID": "A", "sidechain_GLN": null, - "ome": 179.927978440531, - "chi2": 160.891486382458, - "chi3": -55.5925569798361, - "chi1": -51.3428991810944, + "ome": 179.610196501975, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.882791849623, - "L4": 1.52430383305981, - "L5": 1.23101849913312, - "L2": 1.45383339653555, - "L3": 1.52522855907439, - "a7": 123.336297305524, - "L1": 1.32516906224684, + "a1": 121.265873618118, + "L4": 1.52434522468438, + "L5": 1.22785356368243, + "L2": 1.45773748735233, + "L3": 1.52710049658464, + "a7": 122.620016039227, + "L1": 1.33010255658603, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 86, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.382879929296, - "bs": 94.0, - "a2": 109.102762427219, - "a5": 121.18785528004, + "ss": "S", + "a3": 113.527524097213, + "bs": 144.0, + "a2": 109.537334097041, + "a5": 120.336462943433, "sidechain_LEU": null, - "chainIndex": 148, + "chainIndex": 308, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.374017519904 + "a4": 110.145199190923 } }, { "pk": 1041, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.015816785652, - "psi": -34.6776383717932, - "oldID": "150", - "bg": 94.28, + "a6": 115.304107067425, + "psi": -178.479021418233, + "oldID": "310", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.5807727625115, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 51, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1043, + "next": 1042, "sidechain_SER": null, - "bm": 96.0, + "bm": 149.0, "xpr": false, "prev": 1040, "terminal_flag": false, - "phi": -103.272710763814, + "phi": 156.676479679221, "chainID": "A", "sidechain_GLN": null, - "ome": -179.166228576784, + "ome": 179.68309831258, "chi2": null, "chi3": null, - "chi1": -64.6432609892297, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.895437435029, - "L4": 1.52205409367864, - "L5": 1.2288986303062, - "L2": 1.46024406662106, - "L3": 1.55110473511395, - "a7": 123.225851048117, - "L1": 1.32978192305937, + "a1": 119.684171684863, + "L4": 1.51880957551535, + "L5": 1.23264637409271, + "L2": 1.45226240675991, + "L3": null, + "a7": 123.156491446623, + "L1": 1.33054615168838, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.972986700236, - "bs": 95.0, - "a2": 111.679504743357, - "a5": 120.757662435728, + "ss": "-", + "a3": 116.705361915068, + "bs": 0.0, + "a2": null, + "a5": 121.539394354592, "sidechain_LEU": null, - "chainIndex": 149, + "chainIndex": 309, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.40655392698 + "a4": null } }, { "pk": 1042, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.555618624843, - "psi": -29.9021176134083, - "oldID": "376", - "bg": 27.29, + "a6": 117.397397349302, + "psi": 69.5213564110962, + "oldID": "311", + "bg": 153.67, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7079646047002, + "protein": "1TWF", + "zeta": 35.3217462401972, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1044, + "next": 1043, "sidechain_SER": null, - "bm": 25.0, + "bm": 153.0, "xpr": false, - "prev": 1039, + "prev": 1041, "terminal_flag": false, - "phi": -66.295920382644, + "phi": -139.963596812754, "chainID": "A", - "sidechain_GLN": null, - "ome": -177.469968012598, - "chi2": null, - "chi3": null, - "chi1": -79.2050604913555, + "sidechain_GLN": 42, + "ome": 179.996367066325, + "chi2": 172.227795861398, + "chi3": 57.9844390441536, + "chi1": -58.5467961086503, "chi4": null, "chi5": null, - "a1": 119.591244992941, - "L4": 1.53976150121002, - "L5": 1.22195620741705, - "L2": 1.46720517718359, - "L3": 1.54729059476651, - "a7": 122.513857703717, - "L1": 1.33477704276554, + "a1": 122.759904474633, + "L4": 1.52468025104342, + "L5": 1.23257084366188, + "L2": 1.45998459644508, + "L3": 1.53186488548552, + "a7": 121.830406756243, + "L1": 1.33038440230591, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.017127589657, - "bs": 28.0, - "a2": 112.771411412802, - "a5": 119.872767095166, + "ss": "-", + "a3": 108.6774373581, + "bs": 153.0, + "a2": 110.639078635311, + "a5": 120.771314719451, "sidechain_LEU": null, - "chainIndex": 375, - "sidechain_HIS": 39, + "chainIndex": 310, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.612602479957 + "a4": 108.946485599746 } }, { "pk": 1043, "model": "pgd_core.residue", "fields": { - "aa": "d", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 62, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 60, - "a6": 116.410311777451, - "psi": 122.894990029988, - "oldID": "151", - "bg": 102.1, + "sidechain_ASP": null, + "a6": 116.615332390904, + "psi": 108.692718042355, + "oldID": "312", + "bg": 156.18, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1311735063743, + "zeta": 37.4879012992308, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1045, + "next": 1044, "sidechain_SER": null, - "bm": 103.0, + "bm": 156.0, "xpr": false, - "prev": 1041, + "prev": 1042, "terminal_flag": false, - "phi": -134.74465083098, + "phi": -60.2732420992813, "chainID": "A", "sidechain_GLN": null, - "ome": -179.38600253292, - "chi2": -70.3775185604749, - "chi3": null, - "chi1": -46.7076416095755, - "chi4": null, + "ome": 179.933264309351, + "chi2": -43.7471953450635, + "chi3": 38.3472949733694, + "chi1": 31.5458077909068, + "chi4": -18.9476116799654, "chi5": null, - "a1": 122.220086568065, - "L4": 1.52690921446261, - "L5": 1.22903999163201, - "L2": 1.45579817773414, - "L3": 1.52905732275994, - "a7": 122.761675933517, - "L1": 1.32985930616108, + "a1": 119.996536682, + "L4": 1.52894789636537, + "L5": 1.23339402775715, + "L2": 1.46467760455756, + "L3": 1.52614856589781, + "a7": 122.964491558699, + "L1": 1.33983046401754, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.192883198865, - "bs": 101.0, - "a2": 109.099946112247, - "a5": 120.827419688869, + "omep": 7.53040656231801, + "ss": "-", + "a3": 111.877084149544, + "bs": 156.0, + "a2": 102.878546747627, + "a5": 120.418006221731, "sidechain_LEU": null, - "chainIndex": 150, + "chainIndex": 311, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.361772426711 + "a4": 112.552513867097 } }, { "pk": 1044, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.649240541397, - "psi": -0.182039915153069, - "oldID": "377", - "bg": 27.15, + "a6": 116.005692302059, + "psi": 96.0178647357733, + "oldID": "313", + "bg": 158.62, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0628360238707, + "protein": "1TWF", + "zeta": 34.4279290750772, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 52, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1046, + "next": 1045, "sidechain_SER": null, - "bm": 24.0, + "bm": 158.0, "xpr": false, - "prev": 1042, + "prev": 1043, "terminal_flag": false, - "phi": -72.023930820593, + "phi": -130.111720488653, "chainID": "A", - "sidechain_GLN": null, - "ome": 169.501378688763, - "chi2": null, - "chi3": null, - "chi1": 50.205708281631, + "sidechain_GLN": 43, + "ome": -179.961215262783, + "chi2": -173.443758033008, + "chi3": -57.0080806929567, + "chi1": -59.1439907395036, "chi4": null, "chi5": null, - "a1": 121.500662461756, - "L4": 1.52570346139909, - "L5": 1.23600444856094, - "L2": 1.46763866857699, - "L3": 1.55905436454934, - "a7": 123.466814757427, - "L1": 1.33742125844834, + "a1": 121.67950559759, + "L4": 1.5316354699586, + "L5": 1.23196124610417, + "L2": 1.46224597549567, + "L3": 1.53590805132161, + "a7": 123.009232411864, + "L1": 1.33173711896772, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.693728791403, - "bs": 27.0, - "a2": 113.302875503655, - "a5": 120.822308269355, + "ss": "-", + "a3": 111.383716075751, + "bs": 158.0, + "a2": 110.472346517316, + "a5": 120.985004910948, "sidechain_LEU": null, - "chainIndex": 376, + "chainIndex": 312, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.794811443352 + "a4": 109.650357902543 } }, { "pk": 1045, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.243461861675, - "psi": 140.677281780562, - "oldID": "152", - "bg": 113.39, + "a6": 116.021092556924, + "psi": 77.0367722263548, + "oldID": "314", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2805300489674, + "zeta": 34.61747826094, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 76, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1047, + "next": 1046, "sidechain_SER": null, - "bm": 112.0, + "bm": 160.0, "xpr": false, - "prev": 1043, + "prev": 1044, "terminal_flag": false, - "phi": -127.916345831657, + "phi": -163.754464593053, "chainID": "A", "sidechain_GLN": null, - "ome": 179.8475135748, + "ome": -179.668880421413, "chi2": null, "chi3": null, - "chi1": 174.729690027441, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.459346336333, - "L4": 1.519376251253, - "L5": 1.22869414943274, - "L2": 1.45528716535529, - "L3": 1.53970495508434, - "a7": 121.994137500838, - "L1": 1.32654017332705, + "a1": 122.710037804071, + "L4": 1.52786335183397, + "L5": 1.23233104756719, + "L2": 1.46039934699137, + "L3": 1.52517772034892, + "a7": 123.03560093889, + "L1": 1.32976695947331, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.780453079486, - "bs": 112.0, - "a2": 110.822434794258, - "a5": 120.762400486436, + "ss": "-", + "a3": 109.940746068173, + "bs": 160.0, + "a2": 110.100376052361, + "a5": 120.943153292457, "sidechain_LEU": null, - "chainIndex": 151, + "chainIndex": 313, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.413398949005 + "a4": 110.089959175701 } }, { "pk": 1046, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.958429606662, - "psi": -49.6952989486882, - "oldID": "378", - "bg": 24.09, + "a6": 115.854979549766, + "psi": 84.0754453229086, + "oldID": "315", + "bg": 161.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5267380324054, + "protein": "1TWF", + "zeta": 34.8446247976733, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 77, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1048, + "next": 1047, "sidechain_SER": null, - "bm": 24.0, + "bm": 161.0, "xpr": false, - "prev": 1044, + "prev": 1045, "terminal_flag": false, - "phi": -117.133022239422, + "phi": -124.607306804339, "chainID": "A", "sidechain_GLN": null, - "ome": -173.578142488064, - "chi2": null, + "ome": -179.962440341926, + "chi2": 174.807420698763, "chi3": null, - "chi1": 173.061937533657, + "chi1": -54.5330164388147, "chi4": null, "chi5": null, - "a1": 122.062450034137, - "L4": 1.54536338025877, - "L5": 1.23702125194627, - "L2": 1.44719378435451, - "L3": 1.54009890186735, - "a7": 122.189703645494, - "L1": 1.32120330183132, + "a1": 122.003448418089, + "L4": 1.52806230870523, + "L5": 1.2343964610517, + "L2": 1.46084487666152, + "L3": 1.5308732541762, + "a7": 123.239088598554, + "L1": 1.33016739116603, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.851557022149, - "bs": 23.0, - "a2": 111.61811521322, - "a5": 121.808092140509, - "sidechain_LEU": null, - "chainIndex": 377, + "ss": "S", + "a3": 111.519050806659, + "bs": 161.0, + "a2": 109.919993065992, + "a5": 120.905928667396, + "sidechain_LEU": 87, + "chainIndex": 314, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.448294319822 + "a4": 109.548331910037 } }, { "pk": 1047, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 49, + "aa": "q", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.733815637002, - "psi": 123.434777303671, - "oldID": "153", - "bg": 117.99, + "a6": 116.360230797264, + "psi": 13.479145774571, + "oldID": "316", + "bg": 161.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.1434627822706, + "zeta": 34.5598796236444, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1049, + "next": 1048, "sidechain_SER": null, - "bm": 119.0, + "bm": 161.0, "xpr": false, - "prev": 1045, + "prev": 1046, "terminal_flag": false, - "phi": -62.6194375319946, + "phi": 58.0548157519005, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.307841832461, - "chi2": -42.7645440004788, - "chi3": 39.3230615070858, - "chi1": 28.9902660490557, - "chi4": -21.8903400377226, + "sidechain_GLN": 44, + "ome": -179.887080412992, + "chi2": -174.33632465589, + "chi3": 64.6983873938466, + "chi1": -165.626980610984, + "chi4": null, "chi5": null, - "a1": 120.98327429227, - "L4": 1.52406834353025, - "L5": 1.23035787966803, - "L2": 1.46383036034277, - "L3": 1.52587783430539, - "a7": 123.120698698815, - "L1": 1.33986826348923, + "a1": 122.418561861264, + "L4": 1.53160064073752, + "L5": 1.22999752369546, + "L2": 1.4610769591906, + "L3": 1.53622586383833, + "a7": 122.982233304021, + "L1": 1.33092812100223, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -0.0472678772983017, - "ss": "-", - "a3": 111.724269712076, - "bs": 118.0, - "a2": 103.00690363884, - "a5": 121.145253863887, + "omep": null, + "ss": "S", + "a3": 110.671912327926, + "bs": 161.0, + "a2": 109.92217816312, + "a5": 120.655867942043, "sidechain_LEU": null, - "chainIndex": 152, + "chainIndex": 315, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.977514908884 + "a4": 110.24720199118 } }, { "pk": 1048, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.626728434443, - "psi": -44.6778490558058, - "oldID": "379", - "bg": 0.0, + "a6": 116.158141273698, + "psi": 121.44073580796, + "oldID": "317", + "bg": 159.92, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 35.118886305946, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 60, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1050, + "next": 1049, "sidechain_SER": null, - "bm": 20.0, + "bm": 161.0, "xpr": false, - "prev": 1046, + "prev": 1047, "terminal_flag": false, - "phi": -67.5468867235884, + "phi": -140.271660128842, "chainID": "A", "sidechain_GLN": null, - "ome": -174.104084635338, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 178.935785683868, + "chi2": 172.539735676339, + "chi3": -171.665887834441, + "chi1": -51.286873443751, + "chi4": 173.730777886352, "chi5": null, - "a1": 121.521251090352, - "L4": 1.50853934361494, - "L5": 1.22280010786429, - "L2": 1.45221124077977, - "L3": null, - "a7": 122.763761222715, - "L1": 1.32216713879656, + "a1": 122.224802550618, + "L4": 1.52982591271467, + "L5": 1.2359870867756, + "L2": 1.46140101658605, + "L3": 1.53098759586137, + "a7": 123.052889763292, + "L1": 1.3322769531475, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 120.46409141025, - "bs": 0.0, - "a2": null, - "a5": 120.600350871387, + "ss": "-", + "a3": 112.400739146362, + "bs": 159.0, + "a2": 110.329354426614, + "a5": 120.788879731308, "sidechain_LEU": null, - "chainIndex": 378, + "chainIndex": 316, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.471581626422 } }, { @@ -126766,422 +114662,422 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.517617667668, - "psi": 176.856659430396, - "oldID": "154", - "bg": 127.28, + "a6": 115.471480142533, + "psi": -9.06335503917007, + "oldID": "318", + "bg": 159.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0530765167402, + "zeta": 34.3502937807081, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1051, - "sidechain_SER": 45, - "bm": 127.0, + "next": 1050, + "sidechain_SER": 46, + "bm": 160.0, "xpr": false, - "prev": 1047, + "prev": 1048, "terminal_flag": false, - "phi": -70.6184236984479, + "phi": -74.1370563077826, "chainID": "A", "sidechain_GLN": null, - "ome": 179.349172250643, + "ome": 179.008139838046, "chi2": null, "chi3": null, - "chi1": 55.2320788279177, + "chi1": 56.9477673451249, "chi4": null, "chi5": null, - "a1": 122.416311801558, - "L4": 1.52414390940029, - "L5": 1.23217154535539, - "L2": 1.45569091274849, - "L3": 1.52571952952605, - "a7": 123.253249570608, - "L1": 1.32771825900614, + "a1": 121.7085279513, + "L4": 1.53117164132499, + "L5": 1.23378220214884, + "L2": 1.45899570293577, + "L3": 1.53975046081305, + "a7": 123.321651842197, + "L1": 1.33179900722845, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.122631873484, - "bs": 127.0, - "a2": 109.587245882716, - "a5": 121.229060609523, + "ss": "T", + "a3": 107.734770766309, + "bs": 160.0, + "a2": 110.643097806167, + "a5": 121.205571484669, "sidechain_LEU": null, - "chainIndex": 153, + "chainIndex": 317, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.106813280882 + "a4": 110.745315779014 } }, { "pk": 1050, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.04339561423, - "psi": -51.2380547493156, - "oldID": "380", - "bg": 18.52, + "a6": 115.04056353011, + "psi": -17.4491121524748, + "oldID": "319", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7385641544419, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 78, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1052, + "next": 1051, "sidechain_SER": null, - "bm": 18.0, + "bm": 159.0, "xpr": false, - "prev": 1048, + "prev": 1049, "terminal_flag": false, - "phi": -59.9349837933183, + "phi": -71.4409971862781, "chainID": "A", "sidechain_GLN": null, - "ome": -175.873348760021, + "ome": 178.149460471101, "chi2": null, "chi3": null, - "chi1": 169.200431849401, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.800524766484, - "L4": 1.50989506474554, - "L5": 1.2244969004185, - "L2": 1.44659964795883, - "L3": 1.53406891734052, - "a7": 122.908428368275, - "L1": 1.32286465101079, + "a1": 121.607845406129, + "L4": 1.51476444753961, + "L5": 1.23297626184915, + "L2": 1.45242280692371, + "L3": null, + "a7": 123.626689142383, + "L1": 1.33320951272853, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.038211088997, - "bs": 18.0, - "a2": 111.556086871987, - "a5": 120.041577129266, + "ss": "T", + "a3": 109.604246492044, + "bs": 0.0, + "a2": null, + "a5": 121.32773866846, "sidechain_LEU": null, - "chainIndex": 379, + "chainIndex": 318, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.832857486509 + "a4": null } }, { "pk": 1051, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.460028098771, - "psi": -30.7916624653499, - "oldID": "155", - "bg": 136.03, + "a6": 117.227675638643, + "psi": 71.8314677689196, + "oldID": "320", + "bg": 155.61, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.7754944528212, + "zeta": 33.6315697283504, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1053, + "next": 1052, "sidechain_SER": null, - "bm": 132.0, + "bm": 155.0, "xpr": false, - "prev": 1049, + "prev": 1050, "terminal_flag": false, - "phi": -58.5995164685909, + "phi": 66.5248702698122, "chainID": "A", "sidechain_GLN": null, - "ome": -179.429182777857, - "chi2": 167.151560123066, - "chi3": -57.2930562591391, - "chi1": -53.9455289551106, - "chi4": null, - "chi5": null, - "a1": 121.910088240048, - "L4": 1.52131000714294, - "L5": 1.23204252270073, - "L2": 1.45470312756508, - "L3": 1.52698536117409, - "a7": 123.46112934724, - "L1": 1.32906742610164, - "sidechain_ARG": null, + "ome": 179.31481248157, + "chi2": -175.103040377548, + "chi3": 179.958362080362, + "chi1": -62.0704307549675, + "chi4": -178.619042036761, + "chi5": -0.0224975312346431, + "a1": 123.195743146744, + "L4": 1.53305138829337, + "L5": 1.23462327701334, + "L2": 1.45756285392771, + "L3": 1.53330276790083, + "a7": 121.916754512511, + "L1": 1.32957037515144, + "sidechain_ARG": 50, "sidechain_TYR": null, - "sidechain_GLU": 87, + "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.771274124979, - "bs": 136.0, - "a2": 110.018252349379, - "a5": 121.077409073004, + "ss": "-", + "a3": 117.780717983735, + "bs": 155.0, + "a2": 109.238153253246, + "a5": 120.846305857533, "sidechain_LEU": null, - "chainIndex": 154, + "chainIndex": 319, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.102939720753 + "a4": 109.707584847687 } }, { "pk": 1052, "model": "pgd_core.residue", "fields": { - "aa": "q", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 63, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.549396471653, - "psi": -27.9520317474467, - "oldID": "381", - "bg": 18.76, + "a6": 117.94460546194, + "psi": 165.656832038643, + "oldID": "321", + "bg": 153.46, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.4339933392704, + "protein": "1TWF", + "zeta": 38.4045763178444, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1054, + "next": 1053, "sidechain_SER": null, - "bm": 17.0, + "bm": 152.0, "xpr": false, - "prev": 1050, + "prev": 1051, "terminal_flag": false, - "phi": -68.0429809643124, + "phi": -100.539669870997, "chainID": "A", - "sidechain_GLN": 40, - "ome": 176.398671764466, - "chi2": -69.9205654292444, - "chi3": -12.1505072973262, - "chi1": -65.7074181027644, - "chi4": null, + "sidechain_GLN": null, + "ome": 179.347947704792, + "chi2": 37.8507772756461, + "chi3": -44.1368607737513, + "chi1": -16.2270519924103, + "chi4": 35.5174575381571, "chi5": null, - "a1": 118.556993497345, - "L4": 1.54216540858914, - "L5": 1.22029736015874, - "L2": 1.46830726222975, - "L3": 1.52103390985458, - "a7": 121.883538873562, - "L1": 1.32849548918442, + "a1": 123.051215145373, + "L4": 1.5332091699336, + "L5": 1.2312021938348, + "L2": 1.47046932832368, + "L3": 1.53262855073879, + "a7": 122.201217837904, + "L1": 1.34539239430343, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.667854719094, - "bs": 18.0, - "a2": 111.404282359264, - "a5": 121.548767725228, + "omep": -30.8720260438348, + "ss": "-", + "a3": 108.985643173232, + "bs": 153.0, + "a2": 103.394682500648, + "a5": 119.853420835715, "sidechain_LEU": null, - "chainIndex": 380, + "chainIndex": 320, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.417810833679 + "a4": 111.259831324548 } }, { "pk": 1053, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 61, - "a6": 115.393152174961, - "psi": -149.153940641589, - "oldID": "156", - "bg": 132.86, + "sidechain_ASP": null, + "a6": 115.785895833797, + "psi": 126.642320977145, + "oldID": "322", + "bg": 146.48, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8495952077522, + "zeta": 33.8231073650798, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 77, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1055, + "next": 1054, "sidechain_SER": null, - "bm": 130.0, + "bm": 146.0, "xpr": false, - "prev": 1051, + "prev": 1052, "terminal_flag": false, - "phi": -71.3249890388106, + "phi": -162.850213399774, "chainID": "A", "sidechain_GLN": null, - "ome": -179.649738776185, - "chi2": -40.5837127190967, + "ome": 178.561032620105, + "chi2": null, "chi3": null, - "chi1": -42.4048897855041, + "chi1": 61.551979020886, "chi4": null, "chi5": null, - "a1": 122.001640673583, - "L4": 1.52602440225254, - "L5": 1.23137926020303, - "L2": 1.45456721689855, - "L3": 1.52997183301888, - "a7": 123.25884281699, - "L1": 1.32913529129929, + "a1": 119.930647872122, + "L4": 1.5293699200323, + "L5": 1.2304487012896, + "L2": 1.46443396025574, + "L3": 1.5519273888732, + "a7": 122.973584641604, + "L1": 1.33190988830574, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.924278067323, - "bs": 132.0, - "a2": 110.29581564254, - "a5": 121.347999044411, + "ss": "-", + "a3": 116.125243054824, + "bs": 146.0, + "a2": 111.28199278631, + "a5": 121.240171439998, "sidechain_LEU": null, - "chainIndex": 155, + "chainIndex": 321, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.079984383043 + "a4": 108.184684720019 } }, { "pk": 1054, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "k", "sidechain_PRO": null, - "sidechain_ASN": 39, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.088179769946, - "psi": -46.7523093833781, - "oldID": "382", - "bg": 27.4, + "a6": 116.346593559745, + "psi": 170.790524219797, + "oldID": "323", + "bg": 142.27, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9655406682767, + "protein": "1TWF", + "zeta": 34.788603089174, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 61, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1056, + "next": 1055, "sidechain_SER": null, - "bm": 17.0, + "bm": 141.0, "xpr": false, - "prev": 1052, + "prev": 1053, "terminal_flag": false, - "phi": -64.1194586727474, + "phi": -126.723772003143, "chainID": "A", "sidechain_GLN": null, - "ome": 176.578967998148, - "chi2": 45.1917161208067, - "chi3": null, - "chi1": -154.080753551883, - "chi4": null, + "ome": 179.887997347556, + "chi2": -174.588962194713, + "chi3": 174.558904318421, + "chi1": -73.190074869714, + "chi4": -177.035862943035, "chi5": null, - "a1": 120.823697008067, - "L4": 1.5418657379566, - "L5": 1.21960605521776, - "L2": 1.44308692024418, - "L3": 1.51234716428563, - "a7": 121.662082465688, - "L1": 1.32240835771427, + "a1": 122.44073884831, + "L4": 1.52713980996444, + "L5": 1.23374574794117, + "L2": 1.46263190184464, + "L3": 1.53168009467296, + "a7": 122.988447171496, + "L1": 1.33072763580187, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.57000114934, - "bs": 27.0, - "a2": 108.117826892735, - "a5": 121.248814669435, + "ss": "-", + "a3": 109.331836515473, + "bs": 142.0, + "a2": 111.129250472385, + "a5": 120.6649585029, "sidechain_LEU": null, - "chainIndex": 381, + "chainIndex": 322, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.063039921892 + "a4": 109.035092232431 } }, { "pk": 1055, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 62, - "a6": 117.169927914243, - "psi": 115.530850278163, - "oldID": "157", - "bg": 130.38, + "sidechain_ASP": null, + "a6": 116.404731909717, + "psi": -165.460503828109, + "oldID": "324", + "bg": 134.21, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2997540344356, + "zeta": 34.4049124678594, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1057, - "sidechain_SER": null, - "bm": 127.0, + "next": 1056, + "sidechain_SER": 47, + "bm": 136.0, "xpr": false, - "prev": 1053, + "prev": 1054, "terminal_flag": false, - "phi": -51.6411194621189, + "phi": -158.953271651735, "chainID": "A", "sidechain_GLN": null, - "ome": 179.544831604342, - "chi2": -66.0723276547576, + "ome": 179.858604187392, + "chi2": null, "chi3": null, - "chi1": -51.3477149491442, + "chi1": 58.8554404287054, "chi4": null, "chi5": null, - "a1": 122.428933921217, - "L4": 1.51349260237643, - "L5": 1.23043972653005, - "L2": 1.45455698793917, - "L3": 1.52654393880631, - "a7": 122.080501396568, - "L1": 1.32669875657888, + "a1": 121.616067201956, + "L4": 1.52764284756354, + "L5": 1.23196120739037, + "L2": 1.45855575011575, + "L3": 1.5347290324795, + "a7": 122.879902717067, + "L1": 1.32897353093907, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 112.195859238801, - "bs": 130.0, - "a2": 110.234573060702, - "a5": 120.749436061709, + "a3": 111.379828205554, + "bs": 134.0, + "a2": 110.35336871051, + "a5": 120.711980024077, "sidechain_LEU": null, - "chainIndex": 156, + "chainIndex": 323, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.460119598705 + "a4": 109.836978368836 } }, { @@ -127191,794 +115087,733 @@ "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.35387100287, - "psi": -37.8299164175569, - "oldID": "383", - "bg": 18.74, + "a6": 116.490187802531, + "psi": -38.3833957626794, + "oldID": "325", + "bg": 131.27, "sidechain_CYS": null, "sidechain_ILE": 57, - "protein": "1H0H", - "zeta": 33.2067418182491, + "protein": "1TWF", + "zeta": 34.2959043257627, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1058, + "next": 1057, "sidechain_SER": null, - "bm": 15.0, + "bm": 134.0, "xpr": false, - "prev": 1054, + "prev": 1055, "terminal_flag": false, - "phi": -66.1041412237786, + "phi": -98.1189297074711, "chainID": "A", "sidechain_GLN": null, - "ome": 175.195009251402, - "chi2": 151.984987554997, + "ome": 178.924433011982, + "chi2": 178.469218090312, "chi3": null, - "chi1": -60.0683762251492, + "chi1": -59.4727314431795, "chi4": null, "chi5": null, - "a1": 119.989256528752, - "L4": 1.533680275186, - "L5": 1.22712343077439, - "L2": 1.45387390879096, - "L3": 1.53113449192787, - "a7": 121.876564033243, - "L1": 1.32412533028843, + "a1": 121.448162813597, + "L4": 1.52851298424272, + "L5": 1.2307451300252, + "L2": 1.45883651445092, + "L3": 1.54368190006856, + "a7": 122.958661344242, + "L1": 1.33001198989224, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.469883077111, - "bs": 18.0, - "a2": 110.833754829561, - "a5": 120.761240479598, + "ss": "S", + "a3": 110.849801867972, + "bs": 131.0, + "a2": 111.45293930797, + "a5": 120.550002455357, "sidechain_LEU": null, - "chainIndex": 382, + "chainIndex": 324, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.956096335179 + "a4": 109.135951406984 } }, { "pk": 1057, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 50, + "aa": "r", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.682334738579, - "psi": -13.1328882917121, - "oldID": "158", - "bg": 122.83, + "a6": 115.760622018984, + "psi": -30.7679371603156, + "oldID": "326", + "bg": 137.53, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 38.084134246402, + "zeta": 34.7127429860591, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1059, + "next": 1058, "sidechain_SER": null, - "bm": 120.0, + "bm": 137.0, "xpr": false, - "prev": 1055, + "prev": 1056, "terminal_flag": false, - "phi": -65.45745456448, + "phi": -62.0886352504305, "chainID": "A", "sidechain_GLN": null, - "ome": 179.507775328785, - "chi2": -44.582726643888, - "chi3": 38.0148638757782, - "chi1": 33.4491301589503, - "chi4": -17.4897907945692, - "chi5": null, - "a1": 119.845620419023, - "L4": 1.5232241707812, - "L5": 1.23049931313789, - "L2": 1.46391775932354, - "L3": 1.52313854674943, - "a7": 123.63157888651, - "L1": 1.3386558547914, - "sidechain_ARG": null, + "ome": 179.338512683837, + "chi2": -84.7752514127406, + "chi3": -163.36038890756, + "chi1": 169.267124583465, + "chi4": 174.8130140071, + "chi5": -0.0870322561703255, + "a1": 121.898946964905, + "L4": 1.52807281502705, + "L5": 1.23215646867851, + "L2": 1.46277995134167, + "L3": 1.53738209405908, + "a7": 123.014746749218, + "L1": 1.33087299521685, + "sidechain_ARG": 51, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 6.37866819472457, + "omep": null, "ss": "T", - "a3": 106.679351731948, - "bs": 122.0, - "a2": 102.945377680678, - "a5": 121.685791052125, + "a3": 107.900145505597, + "bs": 137.0, + "a2": 109.762069183193, + "a5": 121.222415394586, "sidechain_LEU": null, - "chainIndex": 157, + "chainIndex": 325, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.503922297814 + "a4": 110.99733801447 } }, { "pk": 1058, "model": "pgd_core.residue", "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.888249253205, - "psi": -44.898638753675, - "oldID": "384", - "bg": 15.03, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8085428199994, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1060, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 1056, - "terminal_flag": false, - "phi": -57.3393812422324, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.353772014017, - "chi2": -84.1766727361401, - "chi3": -65.5259613405414, - "chi1": -77.8220607603524, - "chi4": 130.10854823624, - "chi5": 4.02806250104326, - "a1": 119.810969334588, - "L4": 1.53820163130865, - "L5": 1.23485475481767, - "L2": 1.45393220022017, - "L3": 1.53675515992156, - "a7": 122.771177130435, - "L1": 1.32433410601694, - "sidechain_ARG": 52, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.652346421769, - "bs": 15.0, - "a2": 110.335652527508, - "a5": 120.316338589259, - "sidechain_LEU": null, - "chainIndex": 383, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.491744871277 - } -}, -{ - "pk": 1059, - "model": "pgd_core.residue", - "fields": { - "aa": "t", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.263810185093, - "psi": -49.8928618648825, - "oldID": "159", - "bg": 112.28, + "a6": 116.185150390823, + "psi": 41.8033334578761, + "oldID": "327", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.2242343392534, + "zeta": 34.5409267425798, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 53, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1061, + "next": 1059, "sidechain_SER": null, - "bm": 111.0, + "bm": 142.0, "xpr": false, "prev": 1057, "terminal_flag": false, - "phi": -59.3679042735544, + "phi": -108.102186650694, "chainID": "A", "sidechain_GLN": null, - "ome": 179.783197500658, + "ome": 179.702289890449, "chi2": null, "chi3": null, - "chi1": -43.1688914641088, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.690049326483, - "L4": 1.5165801898864, - "L5": 1.22992234746501, - "L2": 1.45045571789329, - "L3": 1.52333603312427, - "a7": 123.445399287884, - "L1": 1.32817828735155, + "a1": 122.107453945778, + "L4": 1.52566883629657, + "L5": 1.2320959692416, + "L2": 1.4582956172656, + "L3": 1.52540486791198, + "a7": 122.861708078348, + "L1": 1.32947359213187, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 107.918798827177, - "bs": 111.0, - "a2": 110.613905554948, - "a5": 121.289709846116, + "a3": 109.749999051799, + "bs": 141.0, + "a2": 110.190959337411, + "a5": 120.951239844624, "sidechain_LEU": null, - "chainIndex": 158, + "chainIndex": 326, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.77183195192 + "a4": 110.196021569324 } }, { - "pk": 1060, + "pk": 1059, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.075291260714, - "psi": -47.739519916038, - "oldID": "385", - "bg": 0.0, + "a6": 115.670871662291, + "psi": -18.9337459484911, + "oldID": "328", + "bg": 148.42, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0418961285102, + "protein": "1TWF", + "zeta": 34.7984542248552, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1062, + "next": 1060, "sidechain_SER": null, - "bm": 13.0, + "bm": 146.0, "xpr": false, "prev": 1058, "terminal_flag": false, - "phi": -57.8690786055525, + "phi": -110.51944539843, "chainID": "A", "sidechain_GLN": null, - "ome": 175.882581594311, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.030138131921, - "L4": 1.53301369628733, - "L5": 1.22787054581988, - "L2": 1.46698631751859, - "L3": 1.57608324050232, - "a7": 121.762419529103, - "L1": 1.339316143744, - "sidechain_ARG": null, + "ome": 179.679407219665, + "chi2": 178.656483805507, + "chi3": -152.954475940902, + "chi1": -161.086003164646, + "chi4": 177.527975133568, + "chi5": 0.0657920853059811, + "a1": 121.166322045021, + "L4": 1.51988170759861, + "L5": 1.2308043100067, + "L2": 1.45635761589389, + "L3": 1.52904949052938, + "a7": 123.238815893114, + "L1": 1.32957722800481, + "sidechain_ARG": 52, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.674365895671, - "bs": 11.0, - "a2": 111.520377337529, - "a5": 121.160913793911, + "ss": "S", + "a3": 109.588710069794, + "bs": 150.0, + "a2": 110.34604819519, + "a5": 121.090141527435, "sidechain_LEU": null, - "chainIndex": 384, + "chainIndex": 327, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.182280185922 + "a4": 109.799919067793 } }, { - "pk": 1061, + "pk": 1060, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.843408915802, - "psi": 155.670518544046, - "oldID": "160", - "bg": 102.58, + "a6": 116.002511188725, + "psi": 17.8655196566453, + "oldID": "329", + "bg": 147.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1035404384282, + "zeta": 34.4808326107595, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1063, + "next": 1061, "sidechain_SER": null, - "bm": 101.0, + "bm": 149.0, "xpr": false, "prev": 1059, "terminal_flag": false, - "phi": -90.7916758483299, + "phi": -91.3079723982087, "chainID": "A", - "sidechain_GLN": 41, - "ome": 179.463449563608, - "chi2": -176.831922832124, - "chi3": -57.9981221311681, - "chi1": -65.8702014031037, + "sidechain_GLN": null, + "ome": 178.970165958051, + "chi2": 173.739304543792, + "chi3": null, + "chi1": -63.1669923670805, "chi4": null, "chi5": null, - "a1": 122.105617230569, - "L4": 1.52050632789572, - "L5": 1.23216186312778, - "L2": 1.45415263039955, - "L3": 1.52912483339613, - "a7": 123.407829311014, - "L1": 1.32718914792802, + "a1": 122.095026264678, + "L4": 1.52998571154419, + "L5": 1.22980228121519, + "L2": 1.45691598323093, + "L3": 1.53563293776169, + "a7": 122.940350214781, + "L1": 1.32813111389402, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.43784387794, - "bs": 102.0, - "a2": 110.172978354122, - "a5": 120.748610627223, - "sidechain_LEU": null, - "chainIndex": 159, + "ss": "-", + "a3": 110.221003146508, + "bs": 147.0, + "a2": 110.214648246049, + "a5": 121.054413512792, + "sidechain_LEU": 88, + "chainIndex": 328, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.300147476231 + "a4": 110.230500773609 } }, { - "pk": 1062, + "pk": 1061, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.274751193664, - "psi": -42.923337725042, - "oldID": "386", - "bg": 21.29, + "a6": 114.952378580984, + "psi": 8.64635022196445, + "oldID": "330", + "bg": 151.82, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.9806291430613, + "protein": "1TWF", + "zeta": 34.8117919615123, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 62, "sidechain_VAL": null, - "sidechain_MET": 28, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1064, + "next": 1062, "sidechain_SER": null, - "bm": 15.0, + "bm": 152.0, "xpr": false, "prev": 1060, "terminal_flag": false, - "phi": -56.6298307068599, + "phi": -75.8894975428123, "chainID": "A", "sidechain_GLN": null, - "ome": -175.862263453865, - "chi2": 174.150769689735, - "chi3": 171.244910525866, - "chi1": -67.3375425456633, - "chi4": null, + "ome": 179.683013581677, + "chi2": 178.511532646615, + "chi3": 175.076376561524, + "chi1": -76.3460826985829, + "chi4": 174.813757183529, "chi5": null, - "a1": 120.46033803681, - "L4": 1.52570062179979, - "L5": 1.21429338753263, - "L2": 1.46252929575299, - "L3": 1.53966336990726, - "a7": 122.713365033109, - "L1": 1.33050745983832, + "a1": 122.310578876508, + "L4": 1.5254033949555, + "L5": 1.23401123000266, + "L2": 1.46102642382791, + "L3": 1.53119593995646, + "a7": 123.614417128356, + "L1": 1.33048517507454, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.603613618971, - "bs": 22.0, - "a2": 110.183979522045, - "a5": 121.011880077742, + "ss": "T", + "a3": 108.028623618948, + "bs": 151.0, + "a2": 110.366686603508, + "a5": 121.43254430067, "sidechain_LEU": null, - "chainIndex": 385, + "chainIndex": 329, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.292068153648 + "a4": 110.150760083973 } }, { - "pk": 1063, + "pk": 1062, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.714778914788, - "psi": 176.160087081552, - "oldID": "161", - "bg": 89.31, + "a6": 115.32339139435, + "psi": 32.3921152295911, + "oldID": "331", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2335136432237, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1065, + "next": 1063, "sidechain_SER": null, - "bm": 89.0, + "bm": 153.0, "xpr": false, "prev": 1061, "terminal_flag": false, - "phi": -111.277986193743, + "phi": -165.830056949028, "chainID": "A", "sidechain_GLN": null, - "ome": 179.334346150885, - "chi2": 174.970216735455, + "ome": 179.709761381878, + "chi2": null, "chi3": null, - "chi1": -64.5745830459254, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.127251395047, - "L4": 1.51522571847163, - "L5": 1.23050594892121, - "L2": 1.45795277522003, - "L3": 1.52941245160363, - "a7": 122.999697737306, - "L1": 1.32987149123146, + "a1": 122.395224020013, + "L4": 1.51598833769237, + "L5": 1.22893517264798, + "L2": 1.45078874749868, + "L3": null, + "a7": 123.350192218873, + "L1": 1.33020686450691, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.705038800709, - "bs": 89.0, - "a2": 110.643182726876, - "a5": 121.28510629506, - "sidechain_LEU": 84, - "chainIndex": 160, + "ss": "T", + "a3": 108.600264915121, + "bs": 0.0, + "a2": null, + "a5": 121.325766230946, + "sidechain_LEU": null, + "chainIndex": 330, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.84422911708 + "a4": null } }, { - "pk": 1064, + "pk": 1063, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.145835465307, - "psi": -34.4631655396065, - "oldID": "387", - "bg": 17.28, + "a6": 115.567927277958, + "psi": -37.4929339480269, + "oldID": "332", + "bg": 153.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8576692386628, + "protein": "1TWF", + "zeta": 34.760919219253, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 63, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1066, - "sidechain_SER": 46, - "bm": 15.0, + "next": 1064, + "sidechain_SER": null, + "bm": 153.0, "xpr": false, "prev": 1062, "terminal_flag": false, - "phi": -66.5601871177631, + "phi": -142.369757195151, "chainID": "A", "sidechain_GLN": null, - "ome": 178.157830521596, - "chi2": null, - "chi3": null, - "chi1": 77.3079072197065, - "chi4": null, + "ome": 178.076686151888, + "chi2": -178.362007796855, + "chi3": 177.742658940854, + "chi1": -57.479135421687, + "chi4": -179.70488665139, "chi5": null, - "a1": 122.06581120471, - "L4": 1.52357883166887, - "L5": 1.24088279814368, - "L2": 1.44597023115776, - "L3": 1.54295290110346, - "a7": 123.964714606691, - "L1": 1.32643454010094, + "a1": 122.754353643191, + "L4": 1.52066924837888, + "L5": 1.22978332003437, + "L2": 1.4578098827704, + "L3": 1.52748688236142, + "a7": 123.267484383603, + "L1": 1.32969695437801, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.485901866379, - "bs": 16.0, - "a2": 110.250904242869, - "a5": 120.88858656221, + "ss": "T", + "a3": 108.852982527643, + "bs": 154.0, + "a2": 109.877032634721, + "a5": 121.164376272361, "sidechain_LEU": null, - "chainIndex": 386, + "chainIndex": 331, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.876921129026 + "a4": 110.501000222678 } }, { - "pk": 1065, + "pk": 1064, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.442834821812, - "psi": 130.696237634105, - "oldID": "162", - "bg": 81.76, + "a6": 114.856057261963, + "psi": -2.9711808319542, + "oldID": "333", + "bg": 152.66, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8720019904739, + "zeta": 35.1767425204853, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 79, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1067, + "next": 1065, "sidechain_SER": null, - "bm": 82.0, + "bm": 154.0, "xpr": false, "prev": 1063, "terminal_flag": false, - "phi": -145.133559770477, + "phi": -92.462350888729, "chainID": "A", "sidechain_GLN": null, - "ome": -179.273994843704, - "chi2": null, - "chi3": null, - "chi1": 164.584413072003, + "ome": 179.399723613976, + "chi2": -175.127782834129, + "chi3": 78.4225119557783, + "chi1": 80.7083665229895, "chi4": null, "chi5": null, - "a1": 121.331870877722, - "L4": 1.5108908896092, - "L5": 1.2249142182913, - "L2": 1.45033365691634, - "L3": 1.53297218530409, - "a7": 123.076637434217, - "L1": 1.32321718124572, + "a1": 121.601230387757, + "L4": 1.52627109288803, + "L5": 1.23100991500302, + "L2": 1.45539645209363, + "L3": 1.53385623287582, + "a7": 123.548829152405, + "L1": 1.32759407368195, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 89, "omep": null, - "ss": "E", - "a3": 107.412633301159, - "bs": 82.0, - "a2": 111.35387095704, - "a5": 120.480030319791, + "ss": "T", + "a3": 103.12957148911, + "bs": 152.0, + "a2": 111.06750909239, + "a5": 121.595110703813, "sidechain_LEU": null, - "chainIndex": 161, + "chainIndex": 332, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.413616996817 + "a4": 110.124917900307 } }, { - "pk": 1066, + "pk": 1065, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.782315231431, - "psi": -49.4336656688577, - "oldID": "388", - "bg": 13.75, + "a6": 116.576834415773, + "psi": -6.36522581594615, + "oldID": "334", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 58, - "protein": "1H0H", - "zeta": 34.8472730129369, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1068, + "next": 1066, "sidechain_SER": null, - "bm": 13.0, + "bm": 155.0, "xpr": false, "prev": 1064, "terminal_flag": false, - "phi": -66.553885765964, + "phi": -119.00679124695, "chainID": "A", "sidechain_GLN": null, - "ome": -179.868337707723, - "chi2": 160.673715745533, + "ome": 179.224090900574, + "chi2": null, "chi3": null, - "chi1": -79.044239851702, + "chi1": null, "chi4": null, "chi5": null, - "a1": 124.343924120251, - "L4": 1.52436757099027, - "L5": 1.24588681737842, - "L2": 1.45523954224863, - "L3": 1.5306273364593, - "a7": 123.732701344689, - "L1": 1.32466818930419, + "a1": 121.693618131506, + "L4": 1.5171416289719, + "L5": 1.231424041405, + "L2": 1.45000591932848, + "L3": null, + "a7": 122.657661829451, + "L1": 1.33106420010275, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.367202926352, - "bs": 13.0, - "a2": 109.706233236151, - "a5": 121.472562253821, + "ss": "T", + "a3": 111.568369070409, + "bs": 0.0, + "a2": null, + "a5": 120.765003911685, "sidechain_LEU": null, - "chainIndex": 387, + "chainIndex": 333, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.437171277101 + "a4": null } }, { - "pk": 1067, + "pk": 1066, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.26158421465, - "psi": 156.392044218136, - "oldID": "163", - "bg": 78.0, + "a6": 116.231744313145, + "psi": -35.5172648187348, + "oldID": "335", + "bg": 154.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.202349351442, + "zeta": 33.9134891862114, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1069, - "sidechain_SER": 47, - "bm": 79.0, + "next": 1067, + "sidechain_SER": null, + "bm": 157.0, "xpr": false, "prev": 1065, "terminal_flag": false, - "phi": -82.2181266506927, + "phi": -93.4001863178795, "chainID": "A", "sidechain_GLN": null, - "ome": -179.833814993671, - "chi2": null, - "chi3": null, - "chi1": 41.2172241963558, - "chi4": null, - "chi5": null, - "a1": 120.841505046755, - "L4": 1.52736575322102, - "L5": 1.22813705887754, - "L2": 1.45173017524312, - "L3": 1.52463242614593, - "a7": 123.511634057052, - "L1": 1.32507333505104, - "sidechain_ARG": null, + "ome": 177.766011755762, + "chi2": 162.411620760456, + "chi3": -172.613295094937, + "chi1": -151.298623659564, + "chi4": 177.913281631737, + "chi5": 0.0518139129093692, + "a1": 120.672519109129, + "L4": 1.5288503664502, + "L5": 1.23290990671897, + "L2": 1.45823485676014, + "L3": 1.533252698587, + "a7": 123.058367126172, + "L1": 1.33026642458703, + "sidechain_ARG": 53, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.002642872565, - "bs": 78.0, - "a2": 109.678617473983, - "a5": 121.221377451661, + "ss": "T", + "a3": 108.426110691207, + "bs": 153.0, + "a2": 110.583306945606, + "a5": 120.70774326973, "sidechain_LEU": null, - "chainIndex": 162, + "chainIndex": 334, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.210327581144 + "a4": 111.199002350748 } }, { - "pk": 1068, + "pk": 1067, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "i", "sidechain_PRO": null, - "sidechain_ASN": 40, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.814858856874, - "psi": -40.3172579007222, - "oldID": "389", - "bg": 14.34, + "a6": 115.517108404267, + "psi": -25.5951171466602, + "oldID": "336", + "bg": 158.58, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8161986450526, + "sidechain_ILE": 58, + "protein": "1TWF", + "zeta": 35.3644163622913, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1071, + "next": 1068, "sidechain_SER": null, - "bm": 13.0, + "bm": 159.0, "xpr": false, "prev": 1066, "terminal_flag": false, - "phi": -59.4490350168757, + "phi": -83.6355032270066, "chainID": "A", "sidechain_GLN": null, - "ome": 178.373973811492, - "chi2": -22.6342084029775, + "ome": 179.1320594495, + "chi2": 175.612746476439, "chi3": null, - "chi1": -71.1492656082193, + "chi1": -59.3813503211074, "chi4": null, "chi5": null, - "a1": 120.357812921166, - "L4": 1.53416803089255, - "L5": 1.23090306917075, - "L2": 1.44235307306886, - "L3": 1.52079579947856, - "a7": 122.729436718813, - "L1": 1.32287885738407, + "a1": 122.014995024058, + "L4": 1.52628910291277, + "L5": 1.23154214723882, + "L2": 1.46082693478305, + "L3": 1.54852811208455, + "a7": 123.266240699416, + "L1": 1.33201523070748, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.10605632754, - "bs": 14.0, - "a2": 110.092892003933, - "a5": 120.411220165823, + "ss": "S", + "a3": 105.663817344711, + "bs": 158.0, + "a2": 111.742819600127, + "a5": 121.216501451516, "sidechain_LEU": null, - "chainIndex": 388, + "chainIndex": 335, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.325873469161 + "a4": 108.709965297205 } }, { - "pk": 1069, + "pk": 1068, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -127986,60 +115821,60 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.928174940802, - "psi": -115.591556526429, - "oldID": "164", - "bg": 78.7, + "a6": 115.912480822379, + "psi": -26.6621270571821, + "oldID": "337", + "bg": 161.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0286647570308, + "zeta": 35.0815822568538, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1070, + "next": 1069, "sidechain_SER": null, - "bm": 80.0, + "bm": 161.0, "xpr": false, "prev": 1067, "terminal_flag": false, - "phi": -144.288119381558, + "phi": -70.8989738133021, "chainID": "A", "sidechain_GLN": null, - "ome": 179.627358562103, - "chi2": 169.964826037212, - "chi3": -63.7633365435373, - "chi1": 35.7864651258517, - "chi4": -177.395326972033, - "chi5": 0.0661064337789579, - "a1": 123.556645497467, - "L4": 1.53001367947483, - "L5": 1.22824286061982, - "L2": 1.45763942694224, - "L3": 1.52926953130555, - "a7": 122.573412189298, - "L1": 1.3289895636371, - "sidechain_ARG": 53, + "ome": 179.403883620974, + "chi2": -177.685011990502, + "chi3": -58.7077203070598, + "chi1": -179.262191879519, + "chi4": 179.274788828624, + "chi5": -0.102333454949832, + "a1": 122.396617997325, + "L4": 1.52486789179025, + "L5": 1.23111733960303, + "L2": 1.46023899321251, + "L3": 1.53179013757695, + "a7": 123.172627101872, + "L1": 1.33115378719216, + "sidechain_ARG": 54, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.43054415178, - "bs": 79.0, - "a2": 109.742116087339, - "a5": 120.498107558084, + "ss": "S", + "a3": 108.111279637587, + "bs": 161.0, + "a2": 110.288670546038, + "a5": 120.914887606236, "sidechain_LEU": null, - "chainIndex": 163, + "chainIndex": 336, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.04662988998 + "a4": 109.813015494044 } }, { - "pk": 1070, + "pk": 1069, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -128047,9 +115882,9 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.891790323601, - "psi": 114.100576817578, - "oldID": "165", + "a6": 115.613163736364, + "psi": -34.2862262026579, + "oldID": "338", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, @@ -128061,3096 +115896,3096 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1072, + "next": 1070, "sidechain_SER": null, - "bm": 86.0, + "bm": 162.0, "xpr": false, - "prev": 1069, + "prev": 1068, "terminal_flag": false, - "phi": -60.0267048913922, + "phi": -64.492820181458, "chainID": "A", "sidechain_GLN": null, - "ome": -179.051267176682, + "ome": 179.441756821671, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.670203886194, - "L4": 1.51353058992979, - "L5": 1.23658528858291, - "L2": 1.45309171964288, + "a1": 120.842577318654, + "L4": 1.51567751787748, + "L5": 1.23033405168176, + "L2": 1.45183372350594, "L3": null, - "a7": 123.418094423622, - "L1": 1.32855488886583, + "a7": 123.207727755473, + "L1": 1.3317168721302, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.149999231203, + "ss": "G", + "a3": 110.353761826488, "bs": 0.0, "a2": null, - "a5": 120.688369927758, + "a5": 121.17898470636, "sidechain_LEU": null, - "chainIndex": 164, + "chainIndex": 337, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null } }, { - "pk": 1071, + "pk": 1070, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 36, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.08688979816, - "psi": -37.9187232881184, - "oldID": "390", - "bg": 13.41, + "a6": 116.209603064306, + "psi": 2.34478946076495, + "oldID": "339", + "bg": 163.04, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.831568802137, + "protein": "1TWF", + "zeta": 34.6654990669893, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1073, + "next": 1071, "sidechain_SER": null, - "bm": 13.0, + "bm": 163.0, "xpr": false, - "prev": 1068, + "prev": 1069, "terminal_flag": false, - "phi": -64.8651129484798, + "phi": -83.7452931450929, "chainID": "A", - "sidechain_GLN": 42, - "ome": 179.438607505634, - "chi2": -61.2433946715867, - "chi3": 73.8112312810969, - "chi1": -74.0451244219879, + "sidechain_GLN": null, + "ome": 179.018708589754, + "chi2": -89.059625079415, + "chi3": null, + "chi1": -63.390159146398, "chi4": null, "chi5": null, - "a1": 120.676359370587, - "L4": 1.52938280838779, - "L5": 1.21004841212381, - "L2": 1.4602606689816, - "L3": 1.52880775651636, - "a7": 122.376298790736, - "L1": 1.33115915749466, + "a1": 122.519176808623, + "L4": 1.53361798943664, + "L5": 1.23235027709144, + "L2": 1.45880569927609, + "L3": 1.53580043319083, + "a7": 122.991599290854, + "L1": 1.32960716377726, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.687468987347, - "bs": 13.0, - "a2": 111.522641211322, - "a5": 119.536394431392, + "ss": "G", + "a3": 110.396037368991, + "bs": 163.0, + "a2": 109.493281189138, + "a5": 120.797234610756, "sidechain_LEU": null, - "chainIndex": 389, + "chainIndex": 338, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.014678452629 + "a4": 110.60753401449 } }, { - "pk": 1072, + "pk": 1071, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.649067729865, - "psi": 0.294931717168806, - "oldID": "166", - "bg": 0.0, + "a6": 115.323210496626, + "psi": 12.0755055529874, + "oldID": "340", + "bg": 161.96, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.8604087488247, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1074, + "next": 1072, "sidechain_SER": null, - "bm": 89.0, + "bm": 161.0, "xpr": false, "prev": 1070, "terminal_flag": false, - "phi": -60.4526409872357, + "phi": -104.329963070711, "chainID": "A", "sidechain_GLN": null, - "ome": 179.592546400668, - "chi2": null, + "ome": -179.697691441209, + "chi2": -179.77947501694, "chi3": null, - "chi1": null, + "chi1": -70.9629189380342, "chi4": null, "chi5": null, - "a1": 121.169350757186, - "L4": 1.52060408801262, - "L5": 1.23378232895802, - "L2": 1.45598178040561, - "L3": null, - "a7": 123.269698327384, - "L1": 1.33106362119309, + "a1": 122.733429323373, + "L4": 1.52632733253701, + "L5": 1.23389337266957, + "L2": 1.46552873953724, + "L3": 1.5370270161679, + "a7": 123.511023130074, + "L1": 1.33312085416004, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 116.887724962755, - "bs": 0.0, - "a2": null, - "a5": 120.081063914617, - "sidechain_LEU": null, - "chainIndex": 165, + "ss": "G", + "a3": 108.805322379765, + "bs": 161.0, + "a2": 110.819811562376, + "a5": 121.165074356254, + "sidechain_LEU": 89, + "chainIndex": 339, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.443698841936 } }, { - "pk": 1073, + "pk": 1072, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.632079617793, - "psi": -40.2134867426064, - "oldID": "391", - "bg": 14.43, + "a6": 116.242053282517, + "psi": 4.19434183989141, + "oldID": "341", + "bg": 159.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4531057667488, + "protein": "1TWF", + "zeta": 34.6541145958074, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 26, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1075, + "next": 1073, "sidechain_SER": null, - "bm": 14.0, + "bm": 157.0, "xpr": false, "prev": 1071, "terminal_flag": false, - "phi": -69.0575535718643, + "phi": -139.563095409076, "chainID": "A", "sidechain_GLN": null, - "ome": -177.702821333804, - "chi2": 164.075114895283, - "chi3": null, - "chi1": -74.6337329548479, + "ome": 179.609101457001, + "chi2": -179.621861963084, + "chi3": -99.1570423431287, + "chi1": -58.4877547683507, "chi4": null, "chi5": null, - "a1": 119.41768615857, - "L4": 1.53069205443229, - "L5": 1.22704722026496, - "L2": 1.46026978121849, - "L3": 1.53652562486034, - "a7": 121.601667878322, - "L1": 1.33069638217915, + "a1": 122.720389828666, + "L4": 1.53277572004597, + "L5": 1.23217070105999, + "L2": 1.45836519960844, + "L3": 1.53539417850812, + "a7": 122.965354937732, + "L1": 1.33087734706857, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.759015656351, - "bs": 14.0, - "a2": 112.145466315928, - "a5": 120.751248045057, - "sidechain_LEU": 85, - "chainIndex": 390, + "ss": "T", + "a3": 110.660974288191, + "bs": 159.0, + "a2": 109.820438659825, + "a5": 120.792588702523, + "sidechain_LEU": null, + "chainIndex": 340, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.887297580409 + "a4": 110.219102608358 } }, { - "pk": 1074, + "pk": 1073, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.600817252466, - "psi": 150.891330321968, - "oldID": "167", - "bg": 82.85, - "sidechain_CYS": 25, + "a6": 116.399187861525, + "psi": 36.2765170808776, + "oldID": "342", + "bg": 0.0, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2330534887319, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1076, + "next": 1074, "sidechain_SER": null, - "bm": 87.0, + "bm": 151.0, "xpr": false, "prev": 1072, "terminal_flag": false, - "phi": -98.1580062280918, + "phi": 71.2495714676193, "chainID": "A", "sidechain_GLN": null, - "ome": -179.243291201422, + "ome": 179.582680209531, "chi2": null, "chi3": null, - "chi1": 171.065835501006, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.942830644079, - "L4": 1.52349819227727, - "L5": 1.22611399613442, - "L2": 1.46756479009577, - "L3": 1.52499128589746, - "a7": 122.432791363788, - "L1": 1.33272988186943, + "a1": 121.070882529814, + "L4": 1.51761459021563, + "L5": 1.23386633937154, + "L2": 1.45380725218023, + "L3": null, + "a7": 123.09671706266, + "L1": 1.33035644082558, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.312254103252, - "bs": 84.0, - "a2": 110.558747204084, - "a5": 119.96582515257, + "ss": "T", + "a3": 114.233234217342, + "bs": 0.0, + "a2": null, + "a5": 120.504088676125, "sidechain_LEU": null, - "chainIndex": 166, + "chainIndex": 341, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.591993651102 + "a4": null } }, { - "pk": 1075, + "pk": 1074, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.789032783408, - "psi": -30.986911653527, - "oldID": "392", - "bg": 12.56, + "a6": 116.042161988197, + "psi": -47.7412867774175, + "oldID": "343", + "bg": 144.92, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.621673153571, + "protein": "1TWF", + "zeta": 34.8155500986369, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 64, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1077, + "next": 1075, "sidechain_SER": null, - "bm": 13.0, + "bm": 142.0, "xpr": false, "prev": 1073, "terminal_flag": false, - "phi": -65.7869415190114, + "phi": -74.7250756894932, "chainID": "A", "sidechain_GLN": null, - "ome": -179.686258184584, - "chi2": 164.948711622787, - "chi3": null, - "chi1": -66.3020255664693, - "chi4": null, + "ome": -179.701450936658, + "chi2": -178.029986754661, + "chi3": -177.43536532203, + "chi1": -66.1997879102506, + "chi4": 177.797075542638, "chi5": null, - "a1": 118.846717230092, - "L4": 1.51598913032889, - "L5": 1.21751507116881, - "L2": 1.4608208756779, - "L3": 1.51984282606724, - "a7": 123.08186916108, - "L1": 1.32744291181049, + "a1": 121.989484812087, + "L4": 1.52195555715992, + "L5": 1.23285733731834, + "L2": 1.46111995267836, + "L3": 1.53362765480661, + "a7": 123.021820486283, + "L1": 1.33121453096182, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.420298650945, - "bs": 12.0, - "a2": 112.816046457082, - "a5": 120.125772471756, - "sidechain_LEU": 86, - "chainIndex": 391, + "ss": "-", + "a3": 110.436150008231, + "bs": 144.0, + "a2": 110.654005614571, + "a5": 120.935839923563, + "sidechain_LEU": null, + "chainIndex": 342, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.295136272025 + "a4": 109.230802378059 } }, { - "pk": 1076, + "pk": 1075, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.016328989709, - "psi": 11.4185191753474, - "oldID": "168", - "bg": 0.0, + "a6": 116.079135266171, + "psi": 71.0909280912325, + "oldID": "344", + "bg": 134.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.428153597416, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1078, + "next": 1076, "sidechain_SER": null, - "bm": 84.0, + "bm": 130.0, "xpr": false, "prev": 1074, "terminal_flag": false, - "phi": -139.424065925261, + "phi": -87.9044623654532, "chainID": "A", "sidechain_GLN": null, - "ome": -179.242084893339, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.189152244964, - "L4": 1.51626941447018, - "L5": 1.22916831484935, - "L2": 1.45285952430616, - "L3": null, - "a7": 122.759270729203, - "L1": 1.32968974517957, - "sidechain_ARG": null, + "ome": -179.886502758396, + "chi2": -163.365548723778, + "chi3": -179.264585046379, + "chi1": -47.3916286472502, + "chi4": -163.671773000186, + "chi5": 0.0530765876345417, + "a1": 121.320041375954, + "L4": 1.53441931183127, + "L5": 1.2339705338913, + "L2": 1.45792688416345, + "L3": 1.53562884819762, + "a7": 123.203525534983, + "L1": 1.32963329217753, + "sidechain_ARG": 55, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 117.717618541118, - "bs": 0.0, - "a2": null, - "a5": 120.224009192257, + "ss": "S", + "a3": 111.147175801944, + "bs": 137.0, + "a2": 109.805640255119, + "a5": 120.717267513142, "sidechain_LEU": null, - "chainIndex": 167, + "chainIndex": 343, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.406342495674 } }, { - "pk": 1077, + "pk": 1076, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.517848819711, - "psi": 5.74373188418913, - "oldID": "393", - "bg": 12.99, + "a6": 116.232174928309, + "psi": 106.162869000117, + "oldID": "345", + "bg": 112.69, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2907680830741, + "protein": "1TWF", + "zeta": 34.381396817975, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 78, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1079, + "next": 1077, "sidechain_SER": null, - "bm": 14.0, + "bm": 110.0, "xpr": false, "prev": 1075, "terminal_flag": false, - "phi": -90.1513708369873, + "phi": -81.3815519557588, "chainID": "A", "sidechain_GLN": null, - "ome": -179.416525602048, - "chi2": 167.121075303072, + "ome": -179.6463189619, + "chi2": null, "chi3": null, - "chi1": -61.2444453840434, + "chi1": -71.5536133822073, "chi4": null, "chi5": null, - "a1": 120.587819546645, - "L4": 1.53942787562681, - "L5": 1.23828715549135, - "L2": 1.4555428130224, - "L3": 1.52869916851797, - "a7": 122.931668396441, - "L1": 1.32505947200746, + "a1": 122.842963314332, + "L4": 1.52985021010236, + "L5": 1.23299136629665, + "L2": 1.46734748828334, + "L3": 1.56008358196702, + "a7": 122.677804829987, + "L1": 1.33522538989073, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.7705503874, - "bs": 14.0, - "a2": 109.555947220509, - "a5": 119.550161677243, - "sidechain_LEU": 87, - "chainIndex": 392, + "ss": "-", + "a3": 112.414331380214, + "bs": 112.0, + "a2": 111.338011774658, + "a5": 121.089966853965, + "sidechain_LEU": null, + "chainIndex": 344, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.920873758161 + "a4": 108.75744518905 } }, { - "pk": 1078, + "pk": 1077, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "d", "sidechain_PRO": null, - "sidechain_ASN": 41, + "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.652793898307, - "psi": 158.973481462226, - "oldID": "169", - "bg": 84.36, + "sidechain_ASP": 69, + "a6": 115.548026193483, + "psi": 133.86996807515, + "oldID": "346", + "bg": 90.15, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3442161445077, + "zeta": 34.3180937624521, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1080, + "next": 1078, "sidechain_SER": null, "bm": 85.0, "xpr": false, "prev": 1076, "terminal_flag": false, - "phi": -64.9837834421105, + "phi": -121.671203790496, "chainID": "A", "sidechain_GLN": null, - "ome": -179.951244593035, - "chi2": -52.0467571763213, + "ome": 179.816350054158, + "chi2": -44.3990010837342, "chi3": null, - "chi1": -57.7195555801078, + "chi1": 64.8448812796139, "chi4": null, "chi5": null, - "a1": 121.268529581547, - "L4": 1.5201936489665, - "L5": 1.22817910124967, - "L2": 1.4556246715696, - "L3": 1.52647372647065, - "a7": 123.255218791793, - "L1": 1.32589201361411, + "a1": 121.003080012276, + "L4": 1.51762307647737, + "L5": 1.23282319567778, + "L2": 1.45566410730565, + "L3": 1.53720092399984, + "a7": 123.566737191377, + "L1": 1.3288595990087, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 113.044350184037, - "bs": 84.0, - "a2": 110.044702317606, - "a5": 121.091977111473, + "a3": 110.056566158827, + "bs": 90.0, + "a2": 110.254428545336, + "a5": 120.880309104656, "sidechain_LEU": null, - "chainIndex": 168, + "chainIndex": 345, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.668796894143 + "a4": 110.573810489837 } }, { - "pk": 1079, + "pk": 1078, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.838143967208, - "psi": 37.7566059498557, - "oldID": "394", - "bg": 0.0, + "a6": 115.990238900777, + "psi": 48.3979243153991, + "oldID": "347", + "bg": 54.88, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 33.7929017002083, + "sidechain_PHE": 46, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1081, + "next": 1079, "sidechain_SER": null, - "bm": 15.0, + "bm": 57.0, "xpr": false, "prev": 1077, "terminal_flag": false, - "phi": 62.6979271452011, + "phi": 75.7885228954444, "chainID": "A", "sidechain_GLN": null, - "ome": -176.908970492862, - "chi2": null, + "ome": 178.826118376167, + "chi2": -49.4738998792574, "chi3": null, - "chi1": null, + "chi1": -59.0436075684707, "chi4": null, "chi5": null, - "a1": 121.527396823563, - "L4": 1.51400028703937, - "L5": 1.2310972971185, - "L2": 1.45321327007361, - "L3": null, - "a7": 122.387381770687, - "L1": 1.33548018354234, + "a1": 122.817299602505, + "L4": 1.5231364082803, + "L5": 1.2341179866811, + "L2": 1.45393582236585, + "L3": 1.53039346248918, + "a7": 123.349912802068, + "L1": 1.32817695386687, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.693706925949, - "bs": 0.0, - "a2": null, - "a5": 120.76051697995, + "ss": "S", + "a3": 113.66328015856, + "bs": 53.0, + "a2": 109.998209235341, + "a5": 120.658942078173, "sidechain_LEU": null, - "chainIndex": 393, + "chainIndex": 346, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.286237753151 } }, { - "pk": 1080, + "pk": 1079, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.724065921232, - "psi": 166.649434254594, - "oldID": "170", - "bg": 87.33, + "a6": 115.884794050885, + "psi": 139.908729562832, + "oldID": "348", + "bg": 43.68, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8639342794342, + "zeta": 34.2676617002986, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 54, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1082, - "sidechain_SER": null, - "bm": 86.0, + "next": 1080, + "sidechain_SER": 48, + "bm": 40.0, "xpr": false, "prev": 1078, "terminal_flag": false, - "phi": -79.9402389477338, + "phi": -159.561939334972, "chainID": "A", "sidechain_GLN": null, - "ome": -179.238876790668, + "ome": 179.947406673703, "chi2": null, "chi3": null, - "chi1": 43.9756578516053, + "chi1": 45.4667814034635, "chi4": null, "chi5": null, - "a1": 122.313868472047, - "L4": 1.52516953052355, - "L5": 1.23150570285683, - "L2": 1.45770830917916, - "L3": 1.53739201527216, - "a7": 122.8979774871, - "L1": 1.32913783804568, + "a1": 122.393965467202, + "L4": 1.51553739793065, + "L5": 1.22218798398894, + "L2": 1.45739631913916, + "L3": 1.52721954898314, + "a7": 123.704516383175, + "L1": 1.33041084394003, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 112.15516232137, - "bs": 86.0, - "a2": 111.300120825718, - "a5": 121.373633328525, + "ss": "E", + "a3": 111.689400012714, + "bs": 41.0, + "a2": 110.948614579056, + "a5": 120.409020266454, "sidechain_LEU": null, - "chainIndex": 169, + "chainIndex": 347, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.034893715448 + "a4": 109.317571178068 } }, { - "pk": 1081, + "pk": 1080, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "a", "sidechain_PRO": null, - "sidechain_ASN": 42, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.595408284637, - "psi": -1.21945895506679, - "oldID": "395", - "bg": 15.17, + "a6": 114.901250679483, + "psi": 161.03101059094, + "oldID": "349", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0834306667981, + "protein": "1TWF", + "zeta": 34.5225336034465, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1083, + "next": 1081, "sidechain_SER": null, - "bm": 14.0, + "bm": 27.0, "xpr": false, "prev": 1079, "terminal_flag": false, - "phi": -97.7297711834572, + "phi": -124.616263837945, "chainID": "A", "sidechain_GLN": null, - "ome": -176.27772271583, - "chi2": -21.5477030135887, + "ome": -179.340060510842, + "chi2": null, "chi3": null, - "chi1": -75.7930123692431, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.064185647033, - "L4": 1.52055200972968, - "L5": 1.21333612257431, - "L2": 1.44542902011324, - "L3": 1.53727990769998, - "a7": 122.068646582027, - "L1": 1.33260454071818, + "a1": 123.063490973655, + "L4": 1.51982050182065, + "L5": 1.23219181361701, + "L2": 1.45123341016135, + "L3": 1.51533471006295, + "a7": 123.836610897309, + "L1": 1.32961210791907, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 114.906461128903, - "bs": 14.0, - "a2": 111.134013422906, - "a5": 119.227428923697, + "ss": "E", + "a3": 109.969546777599, + "bs": 29.0, + "a2": 110.054568849763, + "a5": 121.257615659003, "sidechain_LEU": null, - "chainIndex": 394, + "chainIndex": 348, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.004277723488 + "a4": 110.254272362934 } }, { - "pk": 1082, + "pk": 1081, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.393243407987, - "psi": 158.794156643402, - "oldID": "171", - "bg": 94.46, + "a6": 118.040575291442, + "psi": 142.221521991093, + "oldID": "350", + "bg": 26.64, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0965408113115, + "zeta": 35.3925791764995, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1084, + "next": 1082, "sidechain_SER": null, - "bm": 86.0, + "bm": 26.0, "xpr": false, "prev": 1080, "terminal_flag": false, - "phi": -109.714784408137, + "phi": -139.567880675397, "chainID": "A", - "sidechain_GLN": 43, - "ome": 179.819523640833, - "chi2": 51.0359595721436, - "chi3": 67.2584069145831, - "chi1": -118.910001179307, - "chi4": null, - "chi5": null, - "a1": 121.935404341157, - "L4": 1.52556883666679, - "L5": 1.22770694673715, - "L2": 1.45318587918629, - "L3": 1.52483132462679, - "a7": 121.849703055128, - "L1": 1.32675949319379, - "sidechain_ARG": null, + "sidechain_GLN": null, + "ome": 177.576516474058, + "chi2": -171.23072777845, + "chi3": -163.768215248494, + "chi1": 158.103243409652, + "chi4": 78.3864050701222, + "chi5": 0.393765684566085, + "a1": 122.758659819067, + "L4": 1.52748152372398, + "L5": 1.21633613538422, + "L2": 1.45337590889037, + "L3": 1.5249794145254, + "a7": 122.168837023699, + "L1": 1.32875296101386, + "sidechain_ARG": 56, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.837544648077, - "bs": 94.0, - "a2": 108.952106392644, - "a5": 120.753604365964, + "ss": "E", + "a3": 111.995906842793, + "bs": 28.0, + "a2": 108.466758602225, + "a5": 119.76954448424, "sidechain_LEU": null, - "chainIndex": 170, + "chainIndex": 349, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.771838779309 + "a4": 110.081967343146 } }, { - "pk": 1083, + "pk": 1082, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.14853156937, - "psi": 131.678708671855, - "oldID": "396", - "bg": 15.34, + "a6": 115.474541563468, + "psi": -177.205098062333, + "oldID": "351", + "bg": 32.83, "sidechain_CYS": null, - "sidechain_ILE": 59, - "protein": "1H0H", - "zeta": 33.8431919948279, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.625731237067, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 52, "sidechain_TRP": null, - "next": 1085, + "next": 1083, "sidechain_SER": null, - "bm": 14.0, + "bm": 28.0, "xpr": false, "prev": 1081, "terminal_flag": false, - "phi": -98.4962213847238, + "phi": -164.264968224392, "chainID": "A", "sidechain_GLN": null, - "ome": -177.497581583962, - "chi2": -57.7292572448086, + "ome": 178.592965811633, + "chi2": null, "chi3": null, - "chi1": -60.9748642223007, + "chi1": -47.8965563414949, "chi4": null, "chi5": null, - "a1": 118.573553338821, - "L4": 1.52697890095256, - "L5": 1.22857544533458, - "L2": 1.46861219969951, - "L3": 1.52485228648574, - "a7": 123.104396867226, - "L1": 1.33422656743138, + "a1": 121.052846121535, + "L4": 1.5281126470789, + "L5": 1.22541259065947, + "L2": 1.46873558551787, + "L3": 1.55211960054623, + "a7": 123.220692882879, + "L1": 1.33161728120019, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.127304978349, - "bs": 14.0, - "a2": 110.728872057733, - "a5": 119.742497030363, + "ss": "E", + "a3": 111.718247596155, + "bs": 29.0, + "a2": 113.682594685331, + "a5": 121.304488653918, "sidechain_LEU": null, - "chainIndex": 395, + "chainIndex": 350, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.473177556591 + "a4": 106.121040883432 } }, { - "pk": 1084, + "pk": 1083, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 51, + "aa": "v", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.659469799587, - "psi": 150.711805241107, - "oldID": "172", - "bg": 85.63, + "a6": 116.707970381851, + "psi": 146.611315395917, + "oldID": "352", + "bg": 28.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 38.5767427271704, + "zeta": 35.5001418204368, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 79, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1086, + "next": 1084, "sidechain_SER": null, - "bm": 85.0, + "bm": 27.0, "xpr": false, "prev": 1082, "terminal_flag": false, - "phi": -98.5118227718204, + "phi": -71.597093078384, "chainID": "A", "sidechain_GLN": null, - "ome": 177.861118281834, - "chi2": -43.5061755973612, - "chi3": 29.4012844594007, - "chi1": 40.9353440939157, - "chi4": -3.44588210869649, + "ome": 179.741595419777, + "chi2": null, + "chi3": null, + "chi1": 169.568255718652, + "chi4": null, "chi5": null, - "a1": 120.536340158722, - "L4": 1.52501140683078, - "L5": 1.2320461848693, - "L2": 1.46265890653935, - "L3": 1.52016252227073, - "a7": 122.89394131432, - "L1": 1.34320730699901, + "a1": 122.985895262156, + "L4": 1.53508187081516, + "L5": 1.23241892832875, + "L2": 1.45073243402528, + "L3": 1.53302430406385, + "a7": 122.251241861385, + "L1": 1.32980941878506, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -17.43057096101, - "ss": "-", - "a3": 111.383049479825, - "bs": 85.0, - "a2": 102.492513965934, - "a5": 120.445437181759, + "omep": null, + "ss": "E", + "a3": 109.142965791753, + "bs": 27.0, + "a2": 110.631706570329, + "a5": 121.040592976186, "sidechain_LEU": null, - "chainIndex": 171, + "chainIndex": 351, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.419119461783 + "a4": 108.577088334636 } }, { - "pk": 1085, + "pk": 1084, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.620553150615, - "psi": -6.03578859581924, - "oldID": "397", - "bg": 0.0, + "a6": 117.658030246008, + "psi": 164.105336983418, + "oldID": "353", + "bg": 30.78, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "sidechain_ILE": 59, + "protein": "1TWF", + "zeta": 34.6423999705213, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1087, + "next": 1085, "sidechain_SER": null, - "bm": 15.0, + "bm": 26.0, "xpr": false, "prev": 1083, "terminal_flag": false, - "phi": 90.3253678760562, + "phi": -102.941621486803, "chainID": "A", "sidechain_GLN": null, - "ome": 179.415711644888, - "chi2": null, + "ome": 177.888965156713, + "chi2": 176.328764521231, "chi3": null, - "chi1": null, + "chi1": 45.2666255371293, "chi4": null, "chi5": null, - "a1": 121.852983520722, - "L4": 1.5268047884509, - "L5": 1.23038042191092, - "L2": 1.46584208715892, - "L3": null, - "a7": 121.961422304534, - "L1": 1.33046238826223, + "a1": 120.969404594971, + "L4": 1.53576658589976, + "L5": 1.22476113565962, + "L2": 1.46903407588759, + "L3": 1.55209359620332, + "a7": 121.884087817054, + "L1": 1.32990618025104, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 115.065480302212, - "bs": 0.0, - "a2": null, - "a5": 119.40325137812, + "ss": "E", + "a3": 111.029174710091, + "bs": 29.0, + "a2": 112.543334763558, + "a5": 120.414366581206, "sidechain_LEU": null, - "chainIndex": 396, + "chainIndex": 352, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 107.450445208879 } }, { - "pk": 1086, + "pk": 1085, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.260515536645, - "psi": 85.10967610317, - "oldID": "173", - "bg": 84.34, + "a6": 116.744165143392, + "psi": 151.179505653787, + "oldID": "354", + "bg": 23.74, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9040448676425, + "zeta": 36.1519338480172, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 55, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1088, - "sidechain_SER": null, - "bm": 87.0, + "next": 1086, + "sidechain_SER": 49, + "bm": 22.0, "xpr": false, "prev": 1084, "terminal_flag": false, - "phi": -91.3688226625293, + "phi": -151.592114143437, "chainID": "A", "sidechain_GLN": null, - "ome": -178.063696889643, + "ome": 177.207470530519, "chi2": null, "chi3": null, - "chi1": -56.1508774583319, + "chi1": -45.2560934703777, "chi4": null, "chi5": null, - "a1": 120.888134239705, - "L4": 1.51706068547635, - "L5": 1.22947004986814, - "L2": 1.455347322688, - "L3": 1.53718187921744, - "a7": 123.353215929783, - "L1": 1.32791422676384, + "a1": 121.385598695646, + "L4": 1.51753800671302, + "L5": 1.23262415941042, + "L2": 1.46323403957145, + "L3": 1.54163352760744, + "a7": 122.938331896851, + "L1": 1.32949794359295, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 103.355588346479, - "bs": 85.0, - "a2": 111.944309268699, - "a5": 121.368866377191, + "ss": "E", + "a3": 105.480744885227, + "bs": 24.0, + "a2": 113.230961831629, + "a5": 120.310093177901, "sidechain_LEU": null, - "chainIndex": 172, + "chainIndex": 353, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.75269644064 + "a4": 105.841749721309 } }, { - "pk": 1087, + "pk": 1086, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.306382681387, - "psi": 159.77453038018, - "oldID": "398", - "bg": 14.14, + "a6": 116.228595853006, + "psi": 148.717002666718, + "oldID": "355", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7489882075943, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 80, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1089, + "next": 1087, "sidechain_SER": null, - "bm": 15.0, + "bm": 20.0, "xpr": false, "prev": 1085, "terminal_flag": false, - "phi": -101.933734249637, + "phi": -83.1497268343429, "chainID": "A", "sidechain_GLN": null, - "ome": 175.738279426285, + "ome": 179.190153683992, "chi2": null, "chi3": null, - "chi1": -53.5380601165469, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.24978550155, - "L4": 1.53907341336115, - "L5": 1.23641715236162, - "L2": 1.46331789193121, - "L3": 1.53261895667173, - "a7": 122.070364510779, - "L1": 1.34308103002539, + "a1": 119.813930803574, + "L4": 1.52165143298529, + "L5": 1.24242644111467, + "L2": 1.44308480628262, + "L3": null, + "a7": 121.612606858859, + "L1": 1.32524444952558, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.238886858154, - "bs": 14.0, - "a2": 111.120825421334, - "a5": 121.564264360943, + "ss": "E", + "a3": 109.936568247075, + "bs": 0.0, + "a2": null, + "a5": 122.158590815952, "sidechain_LEU": null, - "chainIndex": 397, + "chainIndex": 354, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.196537404107 + "a4": null } }, { - "pk": 1088, + "pk": 1087, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.817247371626, - "psi": 130.163245170669, - "oldID": "174", - "bg": 89.88, + "sidechain_ASP": 70, + "a6": 116.522454238484, + "psi": 112.98196449417, + "oldID": "356", + "bg": 20.4, "sidechain_CYS": null, - "sidechain_ILE": 60, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0304340444628, + "zeta": 34.446423371186, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1090, + "next": 1088, "sidechain_SER": null, - "bm": 90.0, + "bm": 24.0, "xpr": false, "prev": 1086, "terminal_flag": false, - "phi": -63.9089223049941, + "phi": -146.717819224428, "chainID": "A", "sidechain_GLN": null, - "ome": 177.961085075006, - "chi2": 164.61470645421, + "ome": -179.960759585844, + "chi2": -38.1184534644647, "chi3": null, - "chi1": -52.1211903142383, + "chi1": -167.296930765651, "chi4": null, "chi5": null, - "a1": 122.655435193872, - "L4": 1.52185115469513, - "L5": 1.22985875183087, - "L2": 1.45013181376119, - "L3": 1.53817284197208, - "a7": 123.362478788927, - "L1": 1.32407671049176, + "a1": 119.801445279943, + "L4": 1.50667350716151, + "L5": 1.23364251244694, + "L2": 1.44338147977582, + "L3": 1.53066878137546, + "a7": 122.56371319496, + "L1": 1.31754271947359, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 114.795244378698, - "bs": 90.0, - "a2": 109.965852645101, - "a5": 120.820034459342, + "a3": 108.277664016307, + "bs": 20.0, + "a2": 111.404513307429, + "a5": 120.91105036232, "sidechain_LEU": null, - "chainIndex": 173, + "chainIndex": 355, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.40962974762 + "a4": 109.816369187282 } }, { - "pk": 1089, + "pk": 1088, "model": "pgd_core.residue", "fields": { - "aa": "a", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 64, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.812665851414, - "psi": 130.100686832233, - "oldID": "399", - "bg": 0.0, + "a6": 116.882414099017, + "psi": -10.1170580169688, + "oldID": "357", + "bg": 29.07, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6795223403748, + "protein": "1TWF", + "zeta": 36.0325267935417, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1091, + "next": 1089, "sidechain_SER": null, - "bm": 15.0, + "bm": 26.0, "xpr": false, "prev": 1087, "terminal_flag": false, - "phi": -66.1068325478659, + "phi": -73.1134074536323, "chainID": "A", "sidechain_GLN": null, - "ome": -177.573131418534, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": -178.87158567251, + "chi2": -34.134938759674, + "chi3": 30.7007152209371, + "chi1": 23.593068754839, + "chi4": -15.8831200859273, "chi5": null, - "a1": 121.401939481648, - "L4": 1.54329754241912, - "L5": 1.22798513487119, - "L2": 1.44879993092816, - "L3": 1.54448143528706, - "a7": 122.084974424768, - "L1": 1.33216344021692, + "a1": 122.876826222743, + "L4": 1.53105574464644, + "L5": 1.2287246488152, + "L2": 1.4619234758627, + "L3": 1.53234349468218, + "a7": 121.982176882065, + "L1": 1.33846797924729, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -14.0238914833632, "ss": "T", - "a3": 111.250607846674, - "bs": 14.0, - "a2": 110.248862991133, - "a5": 121.102318365441, + "a3": 114.193422989546, + "bs": 28.0, + "a2": 103.457206389981, + "a5": 121.066210270708, "sidechain_LEU": null, - "chainIndex": 398, + "chainIndex": 356, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.092816779301 + "a4": 113.517722895246 } }, { - "pk": 1090, + "pk": 1089, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 37, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.059733100241, - "psi": 151.371346615696, - "oldID": "175", - "bg": 103.6, + "a6": 114.765276513268, + "psi": 26.5608687118477, + "oldID": "358", + "bg": 32.48, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.826853243394, + "zeta": 32.6803386146063, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1092, + "next": 1090, "sidechain_SER": null, - "bm": 95.0, + "bm": 32.0, "xpr": false, "prev": 1088, "terminal_flag": false, - "phi": -132.326867950151, + "phi": -106.171485419853, "chainID": "A", "sidechain_GLN": null, - "ome": -178.506113172266, - "chi2": -177.74459614643, - "chi3": -81.2846531934531, - "chi1": 29.4381664776214, - "chi4": -68.6414149705216, - "chi5": -0.147931548864996, - "a1": 122.442327914605, - "L4": 1.52572321614399, - "L5": 1.23091381832985, - "L2": 1.45747548830818, - "L3": 1.53505479719264, - "a7": 123.074771886493, - "L1": 1.33108081173423, - "sidechain_ARG": 54, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.96612213438, - "bs": 107.0, - "a2": 111.258708534167, - "a5": 120.859664669714, + "ome": 177.494004273513, + "chi2": -55.4365812886611, + "chi3": null, + "chi1": -67.3424686949352, + "chi4": null, + "chi5": null, + "a1": 119.331908540279, + "L4": 1.49973188245573, + "L5": 1.22302473643149, + "L2": 1.453203962072, + "L3": 1.51929065606393, + "a7": 123.415156460742, + "L1": 1.32531650850645, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "T", + "a3": 116.060123917756, + "bs": 32.0, + "a2": 109.507425616333, + "a5": 121.813697242079, "sidechain_LEU": null, - "chainIndex": 174, + "chainIndex": 357, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.831130948389 + "a4": 111.312349351345 } }, { - "pk": 1091, + "pk": 1090, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.173942831502, - "psi": 5.27382066014425, - "oldID": "400", - "bg": 0.0, + "a6": 115.997893528033, + "psi": 147.84293601945, + "oldID": "359", + "bg": 35.35, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 36.7825481902112, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1093, + "next": 1091, "sidechain_SER": null, - "bm": 14.0, + "bm": 33.0, "xpr": false, "prev": 1089, "terminal_flag": false, - "phi": 80.2380487677169, + "phi": -120.626149692707, "chainID": "A", "sidechain_GLN": null, - "ome": -179.353845196175, - "chi2": null, + "ome": 178.394631833419, + "chi2": 163.647916801368, "chi3": null, - "chi1": null, + "chi1": -76.6839617049588, "chi4": null, "chi5": null, - "a1": 122.177326132083, - "L4": 1.51124836834138, - "L5": 1.22256852052563, - "L2": 1.45281466818442, - "L3": null, - "a7": 122.095814252993, - "L1": 1.3234862220319, + "a1": 122.838492584762, + "L4": 1.50507711932313, + "L5": 1.23555585003478, + "L2": 1.44103252942445, + "L3": 1.51168221128548, + "a7": 123.34139081599, + "L1": 1.31619118316943, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.497661828936, - "bs": 0.0, - "a2": null, - "a5": 120.722093286485, - "sidechain_LEU": null, - "chainIndex": 399, + "ss": "S", + "a3": 105.544202674245, + "bs": 37.0, + "a2": 109.920187904954, + "a5": 120.653122663292, + "sidechain_LEU": 90, + "chainIndex": 358, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.066651509777 } }, { - "pk": 1092, + "pk": 1091, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.978901321645, - "psi": 150.840857808506, - "oldID": "176", - "bg": 95.05, + "a6": 116.919282566531, + "psi": 153.425743594242, + "oldID": "360", + "bg": 42.68, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0416940851984, + "zeta": 35.4894718522468, "sidechain_PHE": null, - "sidechain_LYS": 71, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1094, + "next": 1092, "sidechain_SER": null, - "bm": 95.0, + "bm": 31.0, "xpr": false, "prev": 1090, "terminal_flag": false, - "phi": -92.7869371768761, + "phi": -74.0529485885397, "chainID": "A", "sidechain_GLN": null, - "ome": -179.725680647995, - "chi2": -179.27536196622, - "chi3": 179.07886025119, - "chi1": -173.582421088266, - "chi4": -179.631261033598, + "ome": -179.988934894447, + "chi2": -48.1528069344005, + "chi3": -41.8693804513169, + "chi1": -64.8049387939782, + "chi4": null, "chi5": null, - "a1": 122.682894393575, - "L4": 1.5223547893361, - "L5": 1.22844454822505, - "L2": 1.45578354683507, - "L3": 1.52488090228478, - "a7": 123.061334958902, - "L1": 1.32818339026016, + "a1": 121.975941775965, + "L4": 1.53931461185824, + "L5": 1.23957383603847, + "L2": 1.47187718642029, + "L3": 1.53674833530714, + "a7": 122.732525802165, + "L1": 1.32595455380687, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 90, "omep": null, - "ss": "E", - "a3": 113.185032608005, - "bs": 95.0, - "a2": 108.871323408254, - "a5": 120.95471861367, + "ss": "-", + "a3": 109.945932448696, + "bs": 44.0, + "a2": 110.459242716179, + "a5": 120.33884008061, "sidechain_LEU": null, - "chainIndex": 175, + "chainIndex": 359, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.824931518968 + "a4": 108.433634614743 } }, { - "pk": 1093, + "pk": 1092, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.142568027697, - "psi": -144.58058607043, - "oldID": "401", - "bg": 0.0, + "a6": 118.757017405534, + "psi": -42.7705675358015, + "oldID": "361", + "bg": 24.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.3053676471013, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1095, + "next": 1093, "sidechain_SER": null, - "bm": 13.0, + "bm": 23.0, "xpr": false, "prev": 1091, "terminal_flag": false, - "phi": -105.283310313484, + "phi": -48.8653460816766, "chainID": "A", "sidechain_GLN": null, - "ome": 171.3626112824, - "chi2": null, + "ome": -179.636313635404, + "chi2": 78.2640568813799, "chi3": null, - "chi1": null, + "chi1": -178.941814174989, "chi4": null, "chi5": null, - "a1": 120.9425200492, - "L4": 1.53691156260154, - "L5": 1.23828085953618, - "L2": 1.46163229567234, - "L3": null, - "a7": 123.629832099411, - "L1": 1.33355015165303, + "a1": 122.176162112366, + "L4": 1.52837245581514, + "L5": 1.21870220810772, + "L2": 1.48087181486949, + "L3": 1.54019722305639, + "a7": 121.024465602618, + "L1": 1.33362702261996, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.126317111823, - "bs": 0.0, - "a2": null, - "a5": 120.223008829278, - "sidechain_LEU": null, - "chainIndex": 400, + "ss": "T", + "a3": 114.025307842868, + "bs": 24.0, + "a2": 111.077502298163, + "a5": 120.215823366865, + "sidechain_LEU": 91, + "chainIndex": 360, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.308295683995 } }, { - "pk": 1094, + "pk": 1093, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 63, - "a6": 116.115565605571, - "psi": 63.8108905984411, - "oldID": "177", - "bg": 99.11, + "sidechain_ASP": 71, + "a6": 117.589399212227, + "psi": 8.23823560874273, + "oldID": "362", + "bg": 33.56, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1166585150195, + "zeta": 33.4530345840736, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1096, + "next": 1094, "sidechain_SER": null, - "bm": 95.0, + "bm": 23.0, "xpr": false, "prev": 1092, "terminal_flag": false, - "phi": -148.204334180006, + "phi": -87.921988717246, "chainID": "A", "sidechain_GLN": null, - "ome": -179.471587515122, - "chi2": -57.1808895569594, + "ome": -179.605936907434, + "chi2": -16.5193049288944, "chi3": null, - "chi1": -141.21005685622, + "chi1": 56.0704405106056, "chi4": null, "chi5": null, - "a1": 121.803354124869, - "L4": 1.52277756624117, - "L5": 1.22978428608459, - "L2": 1.4551365912878, - "L3": 1.53226407481188, - "a7": 123.122901395459, - "L1": 1.32666521639389, + "a1": 117.54474521587, + "L4": 1.5180736544422, + "L5": 1.22827018606288, + "L2": 1.4612828767823, + "L3": 1.52276195631687, + "a7": 121.365115450467, + "L1": 1.32530535563641, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.880904783476, - "bs": 99.0, - "a2": 109.806415187204, - "a5": 120.757350647549, + "ss": "T", + "a3": 116.374305365645, + "bs": 34.0, + "a2": 110.47552123881, + "a5": 121.045018979758, "sidechain_LEU": null, - "chainIndex": 176, + "chainIndex": 361, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.364257746554 + "a4": 109.165726538601 } }, { - "pk": 1095, + "pk": 1094, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.927711645357, - "psi": 169.017175931382, - "oldID": "402", - "bg": 0.0, + "a6": 116.119048598104, + "psi": 166.307512950369, + "oldID": "363", + "bg": 24.85, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.5537358416247, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1098, + "next": 1095, "sidechain_SER": null, - "bm": 15.0, + "bm": 20.0, "xpr": false, "prev": 1093, "terminal_flag": false, - "phi": 87.1495914219127, + "phi": -94.9350510892449, "chainID": "A", - "sidechain_GLN": null, - "ome": 167.319455124585, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 45, + "ome": 174.758493225902, + "chi2": -177.636151415936, + "chi3": -60.6504936877776, + "chi1": -72.0836821325417, "chi4": null, "chi5": null, - "a1": 123.536685864834, - "L4": 1.51530572886908, - "L5": 1.22441489011584, - "L2": 1.4693186492787, - "L3": null, - "a7": 122.372857274869, - "L1": 1.33597113430877, + "a1": 118.040731013664, + "L4": 1.52961561313954, + "L5": 1.22887640286176, + "L2": 1.44934469912362, + "L3": 1.52277075223997, + "a7": 122.74916941114, + "L1": 1.31815696935796, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 119.542332696314, - "bs": 0.0, - "a2": null, - "a5": 121.551365405989, + "ss": "E", + "a3": 114.451545832079, + "bs": 24.0, + "a2": 109.865408172711, + "a5": 121.083318540169, "sidechain_LEU": null, - "chainIndex": 401, + "chainIndex": 362, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.054630083905 } }, { - "pk": 1096, + "pk": 1095, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.43129318726, - "psi": -105.605065297722, - "oldID": "178", - "bg": 0.0, + "a6": 115.988357939601, + "psi": 124.97577813335, + "oldID": "364", + "bg": 16.81, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 32.3162378560029, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 80, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1097, + "next": 1096, "sidechain_SER": null, - "bm": 93.0, + "bm": 22.0, "xpr": false, "prev": 1094, "terminal_flag": false, - "phi": 88.3017916571966, + "phi": -141.804371436505, "chainID": "A", "sidechain_GLN": null, - "ome": -179.930877792708, + "ome": 178.87905421632, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 49.5349786489445, "chi4": null, "chi5": null, - "a1": 120.75883621817, - "L4": 1.51666086781329, - "L5": 1.23068664394793, - "L2": 1.45248712255862, - "L3": null, - "a7": 123.007143127503, - "L1": 1.33122977835941, + "a1": 121.277449500648, + "L4": 1.53590726258597, + "L5": 1.23644788343542, + "L2": 1.45917724975999, + "L3": 1.57676532890471, + "a7": 122.39684829031, + "L1": 1.33073297178221, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.445075007869, - "bs": 0.0, - "a2": null, - "a5": 120.561340035047, + "ss": "E", + "a3": 109.399471444092, + "bs": 19.0, + "a2": 114.596543304444, + "a5": 121.597251526404, "sidechain_LEU": null, - "chainIndex": 177, + "chainIndex": 363, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.559515992112 } }, { - "pk": 1097, + "pk": 1096, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.784342663127, - "psi": 13.2797183676417, - "oldID": "179", - "bg": 89.61, + "a6": 116.052084728436, + "psi": 114.498408425391, + "oldID": "365", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8407758606717, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1099, + "next": 1097, "sidechain_SER": null, - "bm": 89.0, + "bm": 26.0, "xpr": false, - "prev": 1096, + "prev": 1095, "terminal_flag": false, - "phi": -108.323668013902, + "phi": -72.6316801305621, "chainID": "A", "sidechain_GLN": null, - "ome": -179.001404322325, - "chi2": 159.648292495244, + "ome": 179.594252744284, + "chi2": null, "chi3": null, - "chi1": -77.7673845253945, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.235685461259, - "L4": 1.52661419253871, - "L5": 1.22928459597677, - "L2": 1.46096417163979, - "L3": 1.53502859180587, - "a7": 122.638568601519, - "L1": 1.33028694788369, + "a1": 119.595278690397, + "L4": 1.51453938857375, + "L5": 1.23470243392884, + "L2": 1.4499113264467, + "L3": null, + "a7": 122.998710980752, + "L1": 1.33050894956189, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.287134500941, - "bs": 89.0, - "a2": 110.002161655548, - "a5": 120.573573506999, - "sidechain_LEU": 88, - "chainIndex": 178, + "ss": "E", + "a3": 110.393717856481, + "bs": 0.0, + "a2": null, + "a5": 120.948901159999, + "sidechain_LEU": null, + "chainIndex": 364, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.596445920471 + "a4": null } }, { - "pk": 1098, + "pk": 1097, "model": "pgd_core.residue", "fields": { "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.207121377566, - "psi": 101.700251255983, - "oldID": "403", - "bg": 16.37, + "a6": 118.179865928336, + "psi": 113.218796326826, + "oldID": "366", + "bg": 27.12, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.4293135352731, + "protein": "1TWF", + "zeta": 35.6332458596648, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": 81, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1100, + "next": 1098, "sidechain_SER": null, - "bm": 15.0, + "bm": 30.0, "xpr": false, - "prev": 1095, + "prev": 1096, "terminal_flag": false, - "phi": -103.470567263792, + "phi": -111.77172622542, "chainID": "A", "sidechain_GLN": null, - "ome": 179.187077101455, + "ome": 179.813812038941, "chi2": null, "chi3": null, - "chi1": 175.120722017231, + "chi1": -174.5404245808, "chi4": null, "chi5": null, - "a1": 119.7211641097, - "L4": 1.49637553487157, - "L5": 1.2230259759754, - "L2": 1.4442808699055, - "L3": 1.54520557109046, - "a7": 123.526001420495, - "L1": 1.33347389382459, + "a1": 122.005860450144, + "L4": 1.53106340820919, + "L5": 1.22753369173989, + "L2": 1.46098277614801, + "L3": 1.55786373291158, + "a7": 121.67659384987, + "L1": 1.32402154805251, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 103.930438131641, - "bs": 16.0, - "a2": 113.882127346063, - "a5": 120.137633487604, + "a3": 107.975482478162, + "bs": 28.0, + "a2": 110.577961076274, + "a5": 120.12798470209, "sidechain_LEU": null, - "chainIndex": 402, + "chainIndex": 365, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.99742952455 + "a4": 109.008650046353 } }, { - "pk": 1099, + "pk": 1098, "model": "pgd_core.residue", "fields": { - "aa": "k", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 65, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.543119314338, - "psi": 157.343563087474, - "oldID": "180", - "bg": 88.76, + "a6": 115.262396297955, + "psi": 137.346054532952, + "oldID": "367", + "bg": 34.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0249604417867, + "zeta": 36.8422934811842, "sidechain_PHE": null, - "sidechain_LYS": 72, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1101, + "next": 1099, "sidechain_SER": null, - "bm": 84.0, + "bm": 33.0, "xpr": false, "prev": 1097, "terminal_flag": false, - "phi": -131.023094950645, + "phi": -61.4097983148773, "chainID": "A", "sidechain_GLN": null, - "ome": 178.46871262824, - "chi2": -173.340039373506, - "chi3": 178.2213369926, - "chi1": -51.9474963044292, - "chi4": -170.922045980149, + "ome": -179.62014179783, + "chi2": -39.1665704817657, + "chi3": 41.6262086562107, + "chi1": 20.7523631521286, + "chi4": -29.7418660208471, "chi5": null, - "a1": 120.835721276617, - "L4": 1.52692068323517, - "L5": 1.23259904603511, - "L2": 1.45742200501392, - "L3": 1.53359494692809, - "a7": 122.665275665831, - "L1": 1.32918579925488, + "a1": 120.869895563632, + "L4": 1.51842152651424, + "L5": 1.23212441887004, + "L2": 1.46366737035037, + "L3": 1.52863803447915, + "a7": 123.305089152831, + "L1": 1.34633872541316, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.184048351183, - "bs": 90.0, - "a2": 109.28324188712, - "a5": 120.790444805013, + "omep": -11.447592519513, + "ss": "E", + "a3": 113.819046160021, + "bs": 34.0, + "a2": 103.235824393463, + "a5": 121.430077215176, "sidechain_LEU": null, - "chainIndex": 179, + "chainIndex": 366, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.497341448378 + "a4": 112.753686717723 } }, { - "pk": 1100, + "pk": 1099, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "k", "sidechain_PRO": null, - "sidechain_ASN": 43, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 112.311955981419, - "psi": 80.8854707448005, - "oldID": "404", - "bg": 15.74, + "a6": 117.469471094593, + "psi": -45.3826753612338, + "oldID": "368", + "bg": 47.96, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8545550041366, + "protein": "1TWF", + "zeta": 34.0351029898093, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 65, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1102, + "next": 1100, "sidechain_SER": null, - "bm": 15.0, + "bm": 36.0, "xpr": false, "prev": 1098, "terminal_flag": false, - "phi": -88.0365624655413, + "phi": -41.4591013219025, "chainID": "A", "sidechain_GLN": null, - "ome": -179.694071033698, - "chi2": -41.1167958327545, - "chi3": null, - "chi1": -77.578731130585, - "chi4": null, + "ome": -179.652499879106, + "chi2": 168.960592924211, + "chi3": -73.6477147120051, + "chi1": -166.299793292442, + "chi4": 70.426703506785, "chi5": null, - "a1": 121.842611196221, - "L4": 1.52844316875398, - "L5": 1.24743711831044, - "L2": 1.45006526637754, - "L3": 1.52642436714283, - "a7": 124.451986424529, - "L1": 1.33350757410518, + "a1": 122.584525001039, + "L4": 1.53811720872233, + "L5": 1.23423375844975, + "L2": 1.4612696120274, + "L3": 1.52975421608967, + "a7": 122.353993735466, + "L1": 1.32812802419818, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.706695222939, - "bs": 15.0, - "a2": 111.380805662308, - "a5": 123.216495366243, + "ss": "H", + "a3": 114.575472341925, + "bs": 50.0, + "a2": 109.060011737235, + "a5": 120.164685253048, "sidechain_LEU": null, - "chainIndex": 403, + "chainIndex": 367, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.298560672984 + "a4": 110.470880508408 } }, { - "pk": 1101, + "pk": 1100, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.144915791017, - "psi": 138.386055676628, - "oldID": "181", - "bg": 76.87, + "a6": 116.106554219396, + "psi": -41.8116528356339, + "oldID": "369", + "bg": 40.63, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5437097511734, + "zeta": 34.4955960546959, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1103, - "sidechain_SER": null, - "bm": 77.0, + "next": 1101, + "sidechain_SER": 50, + "bm": 34.0, "xpr": false, "prev": 1099, "terminal_flag": false, - "phi": -117.408932687783, + "phi": -57.6415468175968, "chainID": "A", "sidechain_GLN": null, - "ome": -179.968891899985, - "chi2": 178.869057010928, + "ome": 178.853064593793, + "chi2": null, "chi3": null, - "chi1": -62.564829128828, + "chi1": 79.078032742304, "chi4": null, "chi5": null, - "a1": 120.952057035845, - "L4": 1.52532164748329, - "L5": 1.22760305179586, - "L2": 1.45602255779343, - "L3": 1.5291719178456, - "a7": 122.455911835942, - "L1": 1.32928383991304, + "a1": 121.120525118522, + "L4": 1.52443006420122, + "L5": 1.23272918391564, + "L2": 1.45659347453349, + "L3": 1.52628942228036, + "a7": 123.446783095965, + "L1": 1.33220701040556, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.798552882721, - "bs": 76.0, - "a2": 110.607959061247, - "a5": 120.395965918118, - "sidechain_LEU": 89, - "chainIndex": 180, + "ss": "H", + "a3": 112.721978399823, + "bs": 39.0, + "a2": 110.652022692902, + "a5": 120.430766230996, + "sidechain_LEU": null, + "chainIndex": 368, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.108121274416 + "a4": 108.917692936964 } }, { - "pk": 1102, + "pk": 1101, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.22135556257, - "psi": 98.2012928481478, - "oldID": "405", - "bg": 0.0, + "a6": 117.554912280378, + "psi": -38.8018703778066, + "oldID": "370", + "bg": 29.07, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.8474745626982, + "sidechain_ILE": 60, + "protein": "1TWF", + "zeta": 33.5626897958909, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1104, + "next": 1102, "sidechain_SER": null, - "bm": 17.0, + "bm": 33.0, "xpr": false, "prev": 1100, "terminal_flag": false, - "phi": -79.8824644182467, + "phi": -72.8000839527391, "chainID": "A", "sidechain_GLN": null, - "ome": -172.90465354563, - "chi2": null, + "ome": 178.159836052702, + "chi2": -176.489520546108, "chi3": null, - "chi1": null, + "chi1": -70.0130903641591, "chi4": null, "chi5": null, - "a1": 124.42686381925, - "L4": 1.50989708827691, - "L5": 1.22836823964699, - "L2": 1.43767486099903, - "L3": 1.50660150848997, - "a7": 123.122389604918, - "L1": 1.3204175734388, + "a1": 121.789000314126, + "L4": 1.53334138400824, + "L5": 1.24063322283846, + "L2": 1.44871244080044, + "L3": 1.56055779494045, + "a7": 121.996665419215, + "L1": 1.33238502059142, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 101.682746868784, - "bs": 17.0, - "a2": 109.05539564202, - "a5": 120.650299309633, + "ss": "H", + "a3": 109.57245925007, + "bs": 27.0, + "a2": 111.779949503351, + "a5": 120.440471776896, "sidechain_LEU": null, - "chainIndex": 404, + "chainIndex": 369, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.147278133194 + "a4": 110.501216852992 } }, { - "pk": 1103, + "pk": 1102, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.626169738875, - "psi": 134.876792796905, - "oldID": "182", - "bg": 76.64, + "a6": 118.25232456297, + "psi": -16.8114757416426, + "oldID": "371", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5569688186149, + "zeta": 33.2991682900095, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 82, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1105, + "next": 1103, "sidechain_SER": null, - "bm": 76.0, + "bm": 35.0, "xpr": false, "prev": 1101, "terminal_flag": false, - "phi": -122.317769563312, + "phi": -66.5355263957119, "chainID": "A", "sidechain_GLN": null, - "ome": -179.614189299621, + "ome": 178.865337118489, "chi2": null, "chi3": null, - "chi1": -173.014212037384, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.824457759708, - "L4": 1.52930227911161, - "L5": 1.23019343973718, - "L2": 1.4622917890864, - "L3": 1.55543965550424, - "a7": 122.484440371408, - "L1": 1.32803146061066, + "a1": 118.468054921524, + "L4": 1.53482833818013, + "L5": 1.22711636012469, + "L2": 1.45641861675457, + "L3": 1.53154936738632, + "a7": 121.782102054358, + "L1": 1.33135829571615, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.729168396649, - "bs": 76.0, - "a2": 111.058323466231, - "a5": 120.889389798773, + "ss": "H", + "a3": 110.554048584492, + "bs": 34.0, + "a2": 111.487738147605, + "a5": 119.952099268501, "sidechain_LEU": null, - "chainIndex": 181, + "chainIndex": 370, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.313781506952 + "a4": 110.458829250231 } }, { - "pk": 1104, + "pk": 1103, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.031750174855, - "psi": 124.701190392923, - "oldID": "406", - "bg": 17.25, + "a6": 116.926942199211, + "psi": -13.0415158766458, + "oldID": "372", + "bg": 44.46, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8906391033502, + "protein": "1TWF", + "zeta": 34.7856925737871, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 66, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1106, + "next": 1104, "sidechain_SER": null, - "bm": 16.0, + "bm": 41.0, "xpr": false, "prev": 1102, "terminal_flag": false, - "phi": -68.974439333885, + "phi": -83.6889452059047, "chainID": "A", "sidechain_GLN": null, - "ome": 175.430443435797, - "chi2": 179.856330585983, - "chi3": null, - "chi1": -47.3705146922021, - "chi4": null, + "ome": -179.000158527316, + "chi2": 162.07787988679, + "chi3": 163.198163820721, + "chi1": -76.3637119887592, + "chi4": 175.094992112584, "chi5": null, - "a1": 121.995098829524, - "L4": 1.53986040633125, - "L5": 1.21225167018172, - "L2": 1.4387028279627, - "L3": 1.53163297921885, - "a7": 121.738366406493, - "L1": 1.32661418456234, + "a1": 119.587060055356, + "L4": 1.52135476313888, + "L5": 1.22475969247924, + "L2": 1.47081202366216, + "L3": 1.52418451860477, + "a7": 122.951772490326, + "L1": 1.33263513618726, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.501895690227, - "bs": 17.0, - "a2": 109.023687428447, - "a5": 120.213705490054, - "sidechain_LEU": 90, - "chainIndex": 405, + "ss": "T", + "a3": 112.084164428879, + "bs": 46.0, + "a2": 111.635842616447, + "a5": 120.120946240909, + "sidechain_LEU": null, + "chainIndex": 371, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.181802805841 + "a4": 107.608897990244 } }, { - "pk": 1105, + "pk": 1104, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.886412336708, - "psi": 132.908100359622, - "oldID": "183", - "bg": 0.0, + "a6": 115.863113846211, + "psi": -40.1627578907791, + "oldID": "373", + "bg": 40.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.9661080502254, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 53, "sidechain_TRP": null, - "next": 1107, + "next": 1105, "sidechain_SER": null, - "bm": 78.0, + "bm": 40.0, "xpr": false, "prev": 1103, "terminal_flag": false, - "phi": -111.427625075399, + "phi": -95.6882649068392, "chainID": "A", "sidechain_GLN": null, - "ome": 179.543630294689, + "ome": 179.705985445379, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -47.6373771566596, "chi4": null, "chi5": null, - "a1": 119.873072704679, - "L4": 1.51331879614033, - "L5": 1.22742451986797, - "L2": 1.45138166584503, - "L3": null, - "a7": 122.876142145813, - "L1": 1.32849265238548, + "a1": 121.039764636674, + "L4": 1.52932629066551, + "L5": 1.22844965355081, + "L2": 1.45481009978183, + "L3": 1.52615266924852, + "a7": 122.838377875533, + "L1": 1.32611810693916, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.285004720848, - "bs": 0.0, - "a2": null, - "a5": 120.237444974509, + "ss": "T", + "a3": 112.400835866332, + "bs": 41.0, + "a2": 110.213363204391, + "a5": 121.298508260746, "sidechain_LEU": null, - "chainIndex": 182, + "chainIndex": 372, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.791574224396 } }, { - "pk": 1106, + "pk": 1105, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.901392078032, - "psi": 157.870595802802, - "oldID": "407", - "bg": 21.34, + "a6": 116.843218438617, + "psi": 141.12882323425, + "oldID": "374", + "bg": 38.64, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3412206232293, + "protein": "1TWF", + "zeta": 34.9403058364904, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1108, + "next": 1106, "sidechain_SER": null, - "bm": 17.0, + "bm": 38.0, "xpr": false, "prev": 1104, "terminal_flag": false, - "phi": -70.1377430786374, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.55859425681, - "chi2": 8.33654716639195, - "chi3": -149.261182112537, - "chi1": -71.2115910878577, - "chi4": 169.121208014395, - "chi5": -0.577630192802053, - "a1": 118.977757647778, - "L4": 1.5460992881019, - "L5": 1.24779098437472, - "L2": 1.46152606487763, - "L3": 1.53147610781822, - "a7": 122.588232785901, - "L1": 1.32942317297562, - "sidechain_ARG": 55, + "phi": -80.0301880352211, + "chainID": "A", + "sidechain_GLN": null, + "ome": 178.889780879697, + "chi2": -177.197577291679, + "chi3": null, + "chi1": -45.7591249369991, + "chi4": null, + "chi5": null, + "a1": 122.001711676267, + "L4": 1.53872793442946, + "L5": 1.23320952210312, + "L2": 1.44990163916392, + "L3": 1.53418048180116, + "a7": 122.446266263742, + "L1": 1.32539519133292, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.532432346359, - "bs": 25.0, - "a2": 110.683349203371, - "a5": 121.474728181924, - "sidechain_LEU": null, - "chainIndex": 406, + "a3": 110.236866121469, + "bs": 38.0, + "a2": 108.582218678188, + "a5": 120.695520629577, + "sidechain_LEU": 92, + "chainIndex": 373, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.689845676491 + "a4": 111.182657041593 } }, { - "pk": 1107, + "pk": 1106, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.132848853331, - "psi": 124.074892970425, - "oldID": "184", - "bg": 85.29, + "a6": 114.45723231601, + "psi": 166.002296925038, + "oldID": "375", + "bg": 36.17, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1883414720088, + "zeta": 34.7214541988624, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 54, "sidechain_TRP": null, - "next": 1109, - "sidechain_SER": 48, - "bm": 86.0, + "next": 1107, + "sidechain_SER": null, + "bm": 37.0, "xpr": false, "prev": 1105, "terminal_flag": false, - "phi": -111.104951102644, + "phi": -133.351270743525, "chainID": "A", "sidechain_GLN": null, - "ome": -179.269726957688, + "ome": 178.047907242262, "chi2": null, "chi3": null, - "chi1": 61.6902592422111, + "chi1": 63.9120500126934, "chi4": null, "chi5": null, - "a1": 121.711604119835, - "L4": 1.52881836445086, - "L5": 1.23099433180235, - "L2": 1.46058293843501, - "L3": 1.5341629176975, - "a7": 122.910908555764, - "L1": 1.33095278057049, + "a1": 121.60609646873, + "L4": 1.53102974558135, + "L5": 1.23271908896558, + "L2": 1.46700867421999, + "L3": 1.58148214078837, + "a7": 123.277226430316, + "L1": 1.33225296887862, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 110.584616469687, - "bs": 85.0, - "a2": 110.675532134838, - "a5": 120.9560482173, + "a3": 114.357121490191, + "bs": 35.0, + "a2": 113.12742375849, + "a5": 122.24472468115, "sidechain_LEU": null, - "chainIndex": 183, + "chainIndex": 374, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.03978252181 + "a4": 106.020199648002 } }, { - "pk": 1108, + "pk": 1107, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.345282329717, - "psi": -88.0641974643782, - "oldID": "408", - "bg": 0.0, + "a6": 117.677654900712, + "psi": 127.393077367713, + "oldID": "376", + "bg": 41.8, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 35.097319565353, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1110, + "next": 1108, "sidechain_SER": null, - "bm": 15.0, + "bm": 39.0, "xpr": false, "prev": 1106, "terminal_flag": false, - "phi": -80.5944221414357, + "phi": -135.516770813554, "chainID": "A", "sidechain_GLN": null, - "ome": 179.392025434229, - "chi2": null, + "ome": 179.799244072275, + "chi2": 65.0631630789852, "chi3": null, - "chi1": null, + "chi1": 177.776435165288, "chi4": null, "chi5": null, - "a1": 122.482194128547, - "L4": 1.5108855370923, - "L5": 1.25418948221305, - "L2": 1.45538036883372, - "L3": null, - "a7": 123.208376824439, - "L1": 1.32762416993155, + "a1": 122.989932231129, + "L4": 1.52458804318475, + "L5": 1.23301420086736, + "L2": 1.45055387791657, + "L3": 1.53024179951153, + "a7": 122.050628710635, + "L1": 1.32561674584653, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 25, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.37628960766, - "bs": 0.0, - "a2": null, - "a5": 121.442815436728, + "ss": "E", + "a3": 106.500324090171, + "bs": 41.0, + "a2": 110.747945589292, + "a5": 120.257941621806, "sidechain_LEU": null, - "chainIndex": 407, + "chainIndex": 375, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.7866867809 } }, { - "pk": 1109, + "pk": 1108, "model": "pgd_core.residue", "fields": { - "aa": "w", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 66, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.113013173919, - "psi": 164.784253809604, - "oldID": "185", - "bg": 89.08, + "a6": 117.00988967319, + "psi": 104.690301841167, + "oldID": "377", + "bg": 40.47, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7065563391369, + "zeta": 37.7122689342463, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 14, - "next": 1111, + "sidechain_TRP": null, + "next": 1109, "sidechain_SER": null, - "bm": 97.0, + "bm": 39.0, "xpr": false, "prev": 1107, "terminal_flag": false, - "phi": -102.970595442159, + "phi": -78.8481768715051, "chainID": "A", "sidechain_GLN": null, - "ome": 179.90834312742, - "chi2": -89.4500280797186, - "chi3": null, - "chi1": -84.8145338098822, - "chi4": null, + "ome": -179.423071066492, + "chi2": -45.7743576593538, + "chi3": 38.2548725980669, + "chi1": 35.2712710830355, + "chi4": -16.1496505190553, "chi5": null, - "a1": 122.30220892657, - "L4": 1.5208740936532, - "L5": 1.22806555347889, - "L2": 1.45790184396672, - "L3": 1.52767287456786, - "a7": 122.976037614265, - "L1": 1.32917208357147, + "a1": 122.076635507421, + "L4": 1.52706657619625, + "L5": 1.22265604828831, + "L2": 1.46048313752534, + "L3": 1.52557240074327, + "a7": 122.590568243772, + "L1": 1.34271197829832, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -9.19553904446826, "ss": "E", - "a3": 113.219648306987, - "bs": 87.0, - "a2": 109.343240477227, - "a5": 120.910923591169, + "a3": 109.754557693137, + "bs": 39.0, + "a2": 102.48669787562, + "a5": 120.396354580411, "sidechain_LEU": null, - "chainIndex": 184, + "chainIndex": 376, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.82283320678 + "a4": 113.048837792375 } }, { - "pk": 1110, + "pk": 1109, "model": "pgd_core.residue", "fields": { "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.378577352936, - "psi": 158.60003944305, - "oldID": "409", - "bg": 16.4, + "a6": 117.463740154353, + "psi": 134.847576133078, + "oldID": "378", + "bg": 39.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1452597645586, + "protein": "1TWF", + "zeta": 34.3905304016191, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1112, + "next": 1110, "sidechain_SER": null, - "bm": 15.0, + "bm": 39.0, "xpr": false, "prev": 1108, "terminal_flag": false, - "phi": -68.5543231900332, + "phi": -106.318085971761, "chainID": "A", "sidechain_GLN": null, - "ome": -179.768881810937, - "chi2": -135.332771127074, - "chi3": 15.4189085168341, - "chi1": -57.3125608852085, - "chi4": null, + "ome": -179.446496404793, + "chi2": -176.727501887996, + "chi3": -43.9235206151271, + "chi1": -156.601804890483, + "chi4": null, "chi5": null, - "a1": 121.120149440834, - "L4": 1.52249564128589, - "L5": 1.21130332472889, - "L2": 1.46638674754787, - "L3": 1.54023920173502, - "a7": 123.677467285323, - "L1": 1.33545664965753, + "a1": 121.673858020142, + "L4": 1.53387891687302, + "L5": 1.22699636508379, + "L2": 1.46582633745099, + "L3": 1.53841928929401, + "a7": 122.297941554485, + "L1": 1.33016339159081, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 88, + "sidechain_GLU": 91, "omep": null, - "ss": "B", - "a3": 114.338683103696, - "bs": 17.0, - "a2": 110.048008194992, - "a5": 120.938656724722, + "ss": "E", + "a3": 112.236153849909, + "bs": 40.0, + "a2": 110.046167183155, + "a5": 120.235488800912, "sidechain_LEU": null, - "chainIndex": 408, + "chainIndex": 377, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.571110832208 + "a4": 109.861095770427 } }, { - "pk": 1111, + "pk": 1110, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.688454581847, - "psi": 179.78287594458, - "oldID": "186", - "bg": 117.23, + "a6": 116.312964762857, + "psi": 141.846950879291, + "oldID": "379", + "bg": 37.87, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8164126412535, + "zeta": 34.5543328822021, "sidechain_PHE": null, - "sidechain_LYS": 73, - "sidechain_VAL": null, + "sidechain_LYS": null, + "sidechain_VAL": 82, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1113, + "next": 1111, "sidechain_SER": null, - "bm": 115.0, + "bm": 42.0, "xpr": false, "prev": 1109, "terminal_flag": false, - "phi": 178.212043623625, + "phi": -79.6268969029912, "chainID": "A", "sidechain_GLN": null, - "ome": 179.673829756304, - "chi2": 165.786441451495, - "chi3": -63.2452172013552, - "chi1": -166.465515101819, - "chi4": 176.539045556522, + "ome": 179.74402598471, + "chi2": null, + "chi3": null, + "chi1": 176.844836982113, + "chi4": null, "chi5": null, - "a1": 121.664768514424, - "L4": 1.52620963043484, - "L5": 1.23246661614644, - "L2": 1.45862042390434, - "L3": 1.5354999829808, - "a7": 122.771002583116, - "L1": 1.32819746413542, + "a1": 120.852171323638, + "L4": 1.51984936403564, + "L5": 1.22979561617821, + "L2": 1.46457623043767, + "L3": 1.53337099698042, + "a7": 122.80229948705, + "L1": 1.33066116085844, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.928550195536, - "bs": 117.0, - "a2": 109.815118027694, - "a5": 120.536462544365, + "ss": "E", + "a3": 113.795643802386, + "bs": 38.0, + "a2": 111.867024796581, + "a5": 120.883571359462, "sidechain_LEU": null, - "chainIndex": 185, + "chainIndex": 378, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.522502928263 + "a4": 107.30397430212 } }, { - "pk": 1112, + "pk": 1111, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.124586605185, - "psi": -36.5085068690971, - "oldID": "410", - "bg": 0.0, + "a6": 116.008061674668, + "psi": 122.708194330439, + "oldID": "380", + "bg": 50.95, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6993923030702, + "protein": "1TWF", + "zeta": 34.5980555380005, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 83, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1114, + "next": 1112, "sidechain_SER": null, - "bm": 16.0, + "bm": 48.0, "xpr": false, "prev": 1110, "terminal_flag": false, - "phi": -51.4975068698673, + "phi": -76.7964046169792, "chainID": "A", "sidechain_GLN": null, - "ome": 179.750649281142, + "ome": 179.674211744464, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 173.651198099728, "chi4": null, "chi5": null, - "a1": 123.789268606575, - "L4": 1.52606962243649, - "L5": 1.21219039296107, - "L2": 1.46813665275783, - "L3": 1.55564528416357, - "a7": 122.752160533403, - "L1": 1.33292786150775, + "a1": 120.742147144772, + "L4": 1.52360909794551, + "L5": 1.23145626101305, + "L2": 1.45610216918601, + "L3": 1.53564245860013, + "a7": 122.901940541017, + "L1": 1.32677075915291, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.947162072763, - "bs": 16.0, - "a2": 110.698385038708, - "a5": 119.121816538831, + "ss": "-", + "a3": 110.855118897627, + "bs": 49.0, + "a2": 110.984290075027, + "a5": 121.088721862166, "sidechain_LEU": null, - "chainIndex": 409, + "chainIndex": 379, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.807812782561 + "a4": 109.131055347036 } }, { - "pk": 1113, + "pk": 1112, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.704609498336, - "psi": 84.6631426782043, - "oldID": "187", - "bg": 133.18, + "a6": 117.447965212628, + "psi": 161.15493327991, + "oldID": "381", + "bg": 55.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6089292059231, + "zeta": 35.6288297288467, "sidechain_PHE": null, - "sidechain_LYS": 74, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 55, "sidechain_TRP": null, - "next": 1115, + "next": 1113, "sidechain_SER": null, - "bm": 133.0, + "bm": 55.0, "xpr": false, "prev": 1111, "terminal_flag": false, - "phi": -128.262037658978, + "phi": -145.774316259107, "chainID": "A", "sidechain_GLN": null, - "ome": -179.250572045328, - "chi2": -175.377315796707, - "chi3": 174.028456804771, - "chi1": -65.2980559847415, - "chi4": -177.326691140864, + "ome": 179.851808595119, + "chi2": null, + "chi3": null, + "chi1": 64.4336583165204, + "chi4": null, "chi5": null, - "a1": 121.698170955252, - "L4": 1.52348167718548, - "L5": 1.2336590406355, - "L2": 1.46111796421796, - "L3": 1.53127488124459, - "a7": 123.640850089414, - "L1": 1.32854883468939, + "a1": 121.353455919191, + "L4": 1.51311292944248, + "L5": 1.22806034938591, + "L2": 1.45358398364508, + "L3": 1.53871575466729, + "a7": 121.856384076542, + "L1": 1.32529187461738, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.089424112857, - "bs": 133.0, - "a2": 110.45346095077, - "a5": 120.654132996772, + "ss": "-", + "a3": 108.231362331544, + "bs": 56.0, + "a2": 111.44421894237, + "a5": 120.695626815866, "sidechain_LEU": null, - "chainIndex": 186, + "chainIndex": 380, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.798522326964 + "a4": 107.978055087047 } }, { - "pk": 1114, + "pk": 1113, "model": "pgd_core.residue", "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 44, - "chain": "1H0HA", + "aa": "p", + "sidechain_PRO": 67, + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.638110980751, - "psi": 26.9653335921041, - "oldID": "411", - "bg": 14.24, + "a6": 117.274836666501, + "psi": -17.122487035665, + "oldID": "382", + "bg": 59.14, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7159463403349, + "protein": "1TWF", + "zeta": 37.3934153514485, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1116, + "next": 1114, "sidechain_SER": null, - "bm": 15.0, + "bm": 59.0, "xpr": false, "prev": 1112, "terminal_flag": false, - "phi": -125.285945609463, + "phi": -56.6339037517951, "chainID": "A", "sidechain_GLN": null, - "ome": 175.535173719042, - "chi2": 27.121394037785, - "chi3": null, - "chi1": -160.21774026567, - "chi4": null, + "ome": 179.393621999102, + "chi2": -44.8821190454487, + "chi3": 42.1785584645863, + "chi1": 29.2763264761784, + "chi4": -24.7537771227216, "chi5": null, - "a1": 120.051380965386, - "L4": 1.51380364771843, - "L5": 1.22860968837121, - "L2": 1.47142312346122, - "L3": 1.54379755153588, - "a7": 122.494860550756, - "L1": 1.33763081483725, + "a1": 118.545560782057, + "L4": 1.5308750588143, + "L5": 1.22792107942957, + "L2": 1.46418822129076, + "L3": 1.52239008152863, + "a7": 122.527005723905, + "L1": 1.33694119011527, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 5.80698334721323, "ss": "T", - "a3": 115.312886085272, - "bs": 14.0, - "a2": 113.380689012899, - "a5": 119.853357949091, + "a3": 112.688445678572, + "bs": 58.0, + "a2": 102.793033581645, + "a5": 120.198146502613, "sidechain_LEU": null, - "chainIndex": 410, + "chainIndex": 381, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.714684621229 + "a4": 112.541042703204 } }, { - "pk": 1115, + "pk": 1114, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 64, - "a6": 115.429059459668, - "psi": 131.351470423414, - "oldID": "188", - "bg": 147.39, + "sidechain_ASP": null, + "a6": 116.375827679761, + "psi": -24.2340224707053, + "oldID": "383", + "bg": 64.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.696750469972, + "zeta": 35.3897680453564, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1117, + "next": 1115, "sidechain_SER": null, - "bm": 146.0, + "bm": 60.0, "xpr": false, "prev": 1113, "terminal_flag": false, - "phi": 71.370146754774, + "phi": -74.0656690747279, "chainID": "A", "sidechain_GLN": null, - "ome": -178.847199657187, - "chi2": -62.6050653359854, + "ome": -178.206932767477, + "chi2": -45.8593091298725, "chi3": null, - "chi1": -65.3457682829727, + "chi1": -49.4782067924641, "chi4": null, "chi5": null, - "a1": 122.919321524188, - "L4": 1.53248848896067, - "L5": 1.23481899315594, - "L2": 1.46001609684889, - "L3": 1.53798033986758, - "a7": 123.398125530901, - "L1": 1.33101537369995, + "a1": 121.167391952093, + "L4": 1.52792047247756, + "L5": 1.2302318727751, + "L2": 1.4635948066837, + "L3": 1.53247595362455, + "a7": 122.88179735096, + "L1": 1.33304333662555, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 26, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.144103312527, - "bs": 147.0, - "a2": 110.443579975213, - "a5": 121.172328468815, + "ss": "T", + "a3": 110.688837844878, + "bs": 64.0, + "a2": 110.860807261402, + "a5": 120.74237374052, "sidechain_LEU": null, - "chainIndex": 187, + "chainIndex": 382, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.820607685818 + "a4": 108.043139588319 } }, { - "pk": 1116, + "pk": 1115, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 38, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.523974604291, - "psi": -29.3576658398729, - "oldID": "412", - "bg": 15.72, + "a6": 117.376650134048, + "psi": -8.75848711653161, + "oldID": "384", + "bg": 53.49, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 28.7420214365828, + "protein": "1TWF", + "zeta": 34.8381182656561, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 83, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1118, + "next": 1116, "sidechain_SER": null, - "bm": 14.0, + "bm": 56.0, "xpr": false, "prev": 1114, "terminal_flag": false, - "phi": -65.609803797233, + "phi": -132.715083106302, "chainID": "A", "sidechain_GLN": null, - "ome": 174.566142091167, - "chi2": null, + "ome": -179.182885426082, + "chi2": 41.6918822078884, "chi3": null, - "chi1": 65.4731173651226, + "chi1": 54.7071668420767, "chi4": null, "chi5": null, - "a1": 119.461060152585, - "L4": 1.52076999022006, - "L5": 1.22679972503183, - "L2": 1.47039712765926, - "L3": 1.52212025033564, - "a7": 122.15240026643, - "L1": 1.33097305862463, + "a1": 121.208741015052, + "L4": 1.52715943228578, + "L5": 1.22993249304525, + "L2": 1.45933994770984, + "L3": 1.53214040498384, + "a7": 122.894377990181, + "L1": 1.33110768330485, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.871458054365, - "bs": 16.0, - "a2": 115.186455610872, - "a5": 120.118376442761, + "ss": "T", + "a3": 117.461978273952, + "bs": 54.0, + "a2": 109.375620797007, + "a5": 119.720090490604, "sidechain_LEU": null, - "chainIndex": 411, + "chainIndex": 383, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.195983426755 + "a4": 108.216256871235 } }, { - "pk": 1117, + "pk": 1116, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.696753860928, - "psi": 125.140916822369, - "oldID": "189", - "bg": 156.7, + "a6": 115.804117114481, + "psi": -42.6447856147916, + "oldID": "385", + "bg": 56.9, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 61, "protein": "1TWF", - "zeta": 34.6347804096242, + "zeta": 33.9587179653074, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1119, + "next": 1117, "sidechain_SER": null, - "bm": 153.0, + "bm": 55.0, "xpr": false, "prev": 1115, "terminal_flag": false, - "phi": -65.6981553642138, + "phi": -37.0533509778128, "chainID": "A", "sidechain_GLN": null, - "ome": 179.11141679199, - "chi2": 176.681438395488, - "chi3": -176.509051804407, - "chi1": -54.9055489459218, - "chi4": 179.555426936512, - "chi5": -0.0661926256283265, - "a1": 123.161142255414, - "L4": 1.52650923352191, - "L5": 1.22985149928996, - "L2": 1.45970237074507, - "L3": 1.53091327604846, - "a7": 123.347136592275, - "L1": 1.33063310711491, - "sidechain_ARG": 56, + "ome": 179.395387349727, + "chi2": -60.3630204524566, + "chi3": null, + "chi1": -130.497830163831, + "chi4": null, + "chi5": null, + "a1": 122.274001538633, + "L4": 1.53679570274862, + "L5": 1.23080965193063, + "L2": 1.46285080268757, + "L3": 1.55808227878891, + "a7": 123.084878274845, + "L1": 1.32745750646409, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.852000936364, - "bs": 158.0, - "a2": 109.316402444715, - "a5": 120.954562773251, + "ss": "H", + "a3": 111.947131437405, + "bs": 56.0, + "a2": 110.035126106043, + "a5": 121.09416699142, "sidechain_LEU": null, - "chainIndex": 188, + "chainIndex": 384, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.412628385042 + "a4": 110.783724899836 } }, { - "pk": 1118, + "pk": 1117, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.753449247372, - "psi": -48.1170116371832, - "oldID": "413", - "bg": 16.46, + "chain": "1TWFA", + "sidechain_ASP": 72, + "a6": 116.408111879634, + "psi": -62.7772388098035, + "oldID": "386", + "bg": 64.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2388943960116, + "protein": "1TWF", + "zeta": 34.782752983375, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1120, + "next": 1118, "sidechain_SER": null, - "bm": 14.0, + "bm": 56.0, "xpr": false, "prev": 1116, "terminal_flag": false, - "phi": -60.180379679806, + "phi": -65.5285142802167, "chainID": "A", - "sidechain_GLN": 44, - "ome": -177.479838724212, - "chi2": 60.8672750700838, - "chi3": 53.6159385987852, - "chi1": -176.822388117755, + "sidechain_GLN": null, + "ome": -179.844028325351, + "chi2": 48.8381186600184, + "chi3": null, + "chi1": -83.7954062099934, "chi4": null, "chi5": null, - "a1": 118.06194718698, - "L4": 1.53040218216467, - "L5": 1.24116114600668, - "L2": 1.44684860267374, - "L3": 1.5324678920624, - "a7": 122.900417815376, - "L1": 1.32799053726368, + "a1": 122.924773557055, + "L4": 1.53151004247618, + "L5": 1.23328340720907, + "L2": 1.45497305776447, + "L3": 1.52796260142245, + "a7": 123.076569025312, + "L1": 1.328625222076, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 108.482367413258, - "bs": 16.0, - "a2": 111.883094782136, - "a5": 121.341977450214, + "a3": 113.61948170283, + "bs": 63.0, + "a2": 109.413432381115, + "a5": 120.512072857751, "sidechain_LEU": null, - "chainIndex": 412, + "chainIndex": 385, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.905486588768 + "a4": 109.48712076712 } }, { - "pk": 1119, + "pk": 1118, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.61964375328, - "psi": 70.5217434885058, - "oldID": "190", - "bg": 0.0, + "a6": 115.975317407564, + "psi": -49.9801139283329, + "oldID": "387", + "bg": 49.88, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9571971195063, + "zeta": 34.5665718599262, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1121, + "next": 1119, "sidechain_SER": null, - "bm": 156.0, + "bm": 51.0, "xpr": false, "prev": 1117, "terminal_flag": false, - "phi": 56.6970358676524, + "phi": -54.7585571151221, "chainID": "A", "sidechain_GLN": null, - "ome": 178.820347583279, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.848350921809, - "L4": 1.52786324750298, - "L5": 1.23359051607314, - "L2": 1.46009008574849, - "L3": 1.53060567769238, - "a7": 122.893923301617, - "L1": 1.33052016103095, - "sidechain_ARG": null, + "ome": 179.548925635063, + "chi2": 172.106533336636, + "chi3": 57.2027928860571, + "chi1": 174.024763087515, + "chi4": 68.6878836312652, + "chi5": 0.227732194836423, + "a1": 121.958175894802, + "L4": 1.52815765835128, + "L5": 1.23421141091434, + "L2": 1.45880189770069, + "L3": 1.53865572209385, + "a7": 122.643691572371, + "L1": 1.33035216631651, + "sidechain_ARG": 57, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 115.067294941644, - "bs": 156.0, - "a2": 109.737073043177, - "a5": 120.485318565739, + "ss": "H", + "a3": 110.057156974312, + "bs": 46.0, + "a2": 110.059270240733, + "a5": 121.377960329359, "sidechain_LEU": null, - "chainIndex": 189, + "chainIndex": 386, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.785282073898 + "a4": 110.346423844404 } }, { - "pk": 1120, + "pk": 1119, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.817778194247, - "psi": -41.7273524623891, - "oldID": "414", - "bg": 0.0, + "a6": 115.745249565143, + "psi": -41.4969947007788, + "oldID": "388", + "bg": 47.87, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.3531884054623, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1122, + "next": 1120, "sidechain_SER": null, - "bm": 15.0, + "bm": 49.0, "xpr": false, "prev": 1118, "terminal_flag": false, - "phi": -67.0432531568466, + "phi": -51.5235056063642, "chainID": "A", "sidechain_GLN": null, - "ome": 178.406859500452, - "chi2": null, + "ome": 179.23461990463, + "chi2": 168.681645725945, "chi3": null, - "chi1": null, + "chi1": -84.173283157965, "chi4": null, "chi5": null, - "a1": 121.205932425678, - "L4": 1.51037483847076, - "L5": 1.23034011529387, - "L2": 1.45105939346874, - "L3": null, - "a7": 122.606394250464, - "L1": 1.32953037965435, + "a1": 120.473817772835, + "L4": 1.51717377524259, + "L5": 1.23442847765907, + "L2": 1.44579589065269, + "L3": 1.52106530998828, + "a7": 123.590621998987, + "L1": 1.32637834011217, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 115.152540166904, - "bs": 0.0, - "a2": null, - "a5": 120.568967222218, - "sidechain_LEU": null, - "chainIndex": 413, + "a3": 110.909235140642, + "bs": 46.0, + "a2": 109.933523973239, + "a5": 120.663607086435, + "sidechain_LEU": 93, + "chainIndex": 387, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.461031022081 } }, { - "pk": 1121, + "pk": 1120, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -131158,1097 +118993,1097 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.715160840036, - "psi": 157.247993432253, - "oldID": "191", - "bg": 156.98, + "a6": 117.10200524406, + "psi": -44.8794830613626, + "oldID": "389", + "bg": 50.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4075174733622, + "zeta": 34.2936056203608, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": 56, "sidechain_TRP": null, - "next": 1123, + "next": 1121, "sidechain_SER": null, - "bm": 157.0, + "bm": 50.0, "xpr": false, "prev": 1119, "terminal_flag": false, - "phi": -149.108213716951, + "phi": -60.9886784074242, "chainID": "A", "sidechain_GLN": null, - "ome": -179.638693312415, + "ome": 179.787057752599, "chi2": null, "chi3": null, - "chi1": -49.7798665383183, + "chi1": -86.0181367216699, "chi4": null, "chi5": null, - "a1": 121.94089779068, - "L4": 1.53253171679329, - "L5": 1.23110316034038, - "L2": 1.46405025595533, - "L3": 1.54905401596088, - "a7": 122.787300508443, - "L1": 1.33080843189391, + "a1": 122.147961206772, + "L4": 1.52655493820401, + "L5": 1.2301073377361, + "L2": 1.45782367300696, + "L3": 1.56467840999291, + "a7": 122.627369580212, + "L1": 1.33079419586924, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.353475503738, - "bs": 156.0, - "a2": 111.815618212261, - "a5": 120.49609982877, + "ss": "H", + "a3": 110.272640563073, + "bs": 51.0, + "a2": 111.923039536885, + "a5": 120.268954109232, "sidechain_LEU": null, - "chainIndex": 190, + "chainIndex": 388, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.066588949493 + "a4": 109.10147251119 } }, { - "pk": 1122, + "pk": 1121, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.884855475085, - "psi": -29.8969905097834, - "oldID": "415", - "bg": 14.82, + "a6": 116.176385519261, + "psi": -43.9856316827654, + "oldID": "390", + "bg": 55.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9690954529984, + "protein": "1TWF", + "zeta": 34.0064597878978, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1124, - "sidechain_SER": 49, - "bm": 15.0, + "next": 1122, + "sidechain_SER": null, + "bm": 51.0, "xpr": false, "prev": 1120, "terminal_flag": false, - "phi": -65.9221409277989, + "phi": -61.2992221192756, "chainID": "A", - "sidechain_GLN": null, - "ome": 173.739880561602, - "chi2": null, - "chi3": null, - "chi1": 56.0999995104509, + "sidechain_GLN": 46, + "ome": 179.831942043399, + "chi2": 59.3382887224092, + "chi3": -134.108306911817, + "chi1": -177.894374680971, "chi4": null, "chi5": null, - "a1": 120.581847253834, - "L4": 1.54550230123532, - "L5": 1.24781819729123, - "L2": 1.45810246320344, - "L3": 1.51847425853867, - "a7": 122.641775973818, - "L1": 1.32989720476296, + "a1": 119.794593365504, + "L4": 1.53028714043522, + "L5": 1.23795098487324, + "L2": 1.45270347923651, + "L3": 1.52709256803749, + "a7": 123.298620935378, + "L1": 1.32786417398088, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.853735055833, - "bs": 15.0, - "a2": 111.190914038288, - "a5": 120.469830242049, + "a3": 112.149466769188, + "bs": 55.0, + "a2": 110.505462621844, + "a5": 120.524534924987, "sidechain_LEU": null, - "chainIndex": 414, + "chainIndex": 389, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.247073634584 + "a4": 109.92941963148 } }, { - "pk": 1123, + "pk": 1122, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.368935700733, - "psi": 161.064882255204, - "oldID": "192", - "bg": 0.0, + "a6": 115.270197246923, + "psi": -55.1625870715641, + "oldID": "391", + "bg": 52.09, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.4600648099607, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1125, + "next": 1123, "sidechain_SER": null, - "bm": 155.0, + "bm": 53.0, "xpr": false, "prev": 1121, "terminal_flag": false, - "phi": -73.5783441909429, + "phi": -55.741334976872, "chainID": "A", "sidechain_GLN": null, - "ome": -179.868485815364, - "chi2": null, + "ome": -179.894301338229, + "chi2": 168.248296763209, "chi3": null, - "chi1": null, + "chi1": -58.3862004162578, "chi4": null, "chi5": null, - "a1": 121.031066451643, - "L4": 1.52054388200289, - "L5": 1.2303189101813, - "L2": 1.45589597756217, - "L3": null, - "a7": 123.101621537037, - "L1": 1.3314990756317, + "a1": 122.44852681198, + "L4": 1.51763011873665, + "L5": 1.23047662058523, + "L2": 1.45980536477648, + "L3": 1.52716040058122, + "a7": 123.760315167071, + "L1": 1.33284770379656, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.12543709537, - "bs": 0.0, - "a2": null, - "a5": 120.528896174613, - "sidechain_LEU": null, - "chainIndex": 191, + "ss": "H", + "a3": 111.025877229721, + "bs": 52.0, + "a2": 110.329601510193, + "a5": 120.967995583896, + "sidechain_LEU": 94, + "chainIndex": 390, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.414366676329 } }, { - "pk": 1124, + "pk": 1123, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.738450150898, - "psi": -46.6286096586196, - "oldID": "416", - "bg": 15.03, + "a6": 117.047628686619, + "psi": -31.6299488486888, + "oldID": "392", + "bg": 53.44, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6563736102106, + "protein": "1TWF", + "zeta": 34.8612810616484, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 84, "sidechain_MET": null, - "sidechain_THR": 57, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1126, + "next": 1124, "sidechain_SER": null, - "bm": 13.0, + "bm": 56.0, "xpr": false, "prev": 1122, "terminal_flag": false, - "phi": -74.1241444306788, + "phi": -53.643362271174, "chainID": "A", "sidechain_GLN": null, - "ome": 176.757975169661, + "ome": 179.983743801041, "chi2": null, "chi3": null, - "chi1": -55.5297264797345, + "chi1": 179.212875532063, "chi4": null, "chi5": null, - "a1": 118.84675400727, - "L4": 1.54239184198636, - "L5": 1.23224616828662, - "L2": 1.46248229657148, - "L3": 1.55841501125905, - "a7": 122.595384937607, - "L1": 1.33931831931001, + "a1": 122.028292415046, + "L4": 1.52029553383747, + "L5": 1.22636631392956, + "L2": 1.45094088056246, + "L3": 1.5392459087566, + "a7": 122.586353193226, + "L1": 1.32918983808882, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.183590198187, - "bs": 13.0, - "a2": 111.017278832804, - "a5": 120.665983457507, + "a3": 110.736367333676, + "bs": 53.0, + "a2": 111.92949189025, + "a5": 120.365178899426, "sidechain_LEU": null, - "chainIndex": 415, + "chainIndex": 391, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.777300181296 + "a4": 107.912149949236 } }, { - "pk": 1125, + "pk": 1124, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 65, - "a6": 116.212049052269, - "psi": 32.2538745228394, - "oldID": "193", - "bg": 152.68, + "sidechain_ASP": null, + "a6": 116.291401222012, + "psi": -32.6766751430265, + "oldID": "393", + "bg": 63.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.233600279592, + "zeta": 34.4160766338102, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1127, + "next": 1125, "sidechain_SER": null, - "bm": 152.0, + "bm": 58.0, "xpr": false, "prev": 1123, "terminal_flag": false, - "phi": 51.8082693905466, + "phi": -76.5105485793754, "chainID": "A", "sidechain_GLN": null, - "ome": 179.838053966053, - "chi2": -63.9964766942458, - "chi3": null, - "chi1": -82.1404300917306, - "chi4": null, - "chi5": null, - "a1": 122.587559835775, - "L4": 1.5270640499475, - "L5": 1.23344095263089, - "L2": 1.46547778132373, - "L3": 1.53139764898705, - "a7": 123.037901496276, - "L1": 1.33237373684489, - "sidechain_ARG": null, + "ome": 178.512172658807, + "chi2": -179.762429929915, + "chi3": -171.874026968389, + "chi1": -75.6861088853845, + "chi4": 158.472420223514, + "chi5": -0.0431958772867151, + "a1": 120.322966352329, + "L4": 1.51857957341036, + "L5": 1.22955722354051, + "L2": 1.45722377494475, + "L3": 1.52637319457837, + "a7": 123.076720293263, + "L1": 1.32805755815249, + "sidechain_ARG": 58, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.020361921962, - "bs": 152.0, - "a2": 110.466310914925, - "a5": 120.748539650889, + "ss": "H", + "a3": 109.516946776075, + "bs": 66.0, + "a2": 110.987163094802, + "a5": 120.631802677898, "sidechain_LEU": null, - "chainIndex": 192, + "chainIndex": 392, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.359220846658 + "a4": 109.702501275249 } }, { - "pk": 1126, + "pk": 1125, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 66, - "a6": 116.169259683636, - "psi": -35.550306321732, - "oldID": "417", - "bg": 12.49, + "sidechain_ASN": 39, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 115.771504093151, + "psi": -23.4410283549277, + "oldID": "394", + "bg": 59.05, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.0852808085646, + "protein": "1TWF", + "zeta": 34.8586611555746, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1128, + "next": 1126, "sidechain_SER": null, - "bm": 14.0, + "bm": 54.0, "xpr": false, "prev": 1124, "terminal_flag": false, - "phi": -54.4331748641635, + "phi": -69.5173818338542, "chainID": "A", "sidechain_GLN": null, - "ome": -179.962270059797, - "chi2": -19.6155352137384, + "ome": 178.733488165206, + "chi2": -76.8353780123703, "chi3": null, - "chi1": -64.4551281984775, + "chi1": -79.2803729207791, "chi4": null, "chi5": null, - "a1": 121.401971849139, - "L4": 1.52989185694576, - "L5": 1.22374822920939, - "L2": 1.46376210078227, - "L3": 1.52720466930365, - "a7": 123.691284772695, - "L1": 1.32960562818577, + "a1": 121.634524276884, + "L4": 1.52332076392011, + "L5": 1.23212351641138, + "L2": 1.45719036606601, + "L3": 1.52651745182771, + "a7": 123.320232336802, + "L1": 1.32904292587629, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.85872022073, - "bs": 13.0, - "a2": 110.31335715411, - "a5": 120.098152207235, + "a3": 109.122658931157, + "bs": 58.0, + "a2": 110.101214357989, + "a5": 120.906730330412, "sidechain_LEU": null, - "chainIndex": 416, + "chainIndex": 393, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.746685728606 + "a4": 110.029949988027 } }, { - "pk": 1127, + "pk": 1126, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.122714580776, - "psi": 14.0081797325673, - "oldID": "194", + "a6": 117.774965332972, + "psi": -168.877434029981, + "oldID": "395", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4614071589058, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1129, + "next": 1127, "sidechain_SER": null, - "bm": 148.0, + "bm": 50.0, "xpr": false, "prev": 1125, "terminal_flag": false, - "phi": -166.502362280241, + "phi": 65.6829145423692, "chainID": "A", "sidechain_GLN": null, - "ome": 179.944469040942, + "ome": 179.891426881911, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.946419952201, - "L4": 1.52792459729395, - "L5": 1.23227214895121, - "L2": 1.45932406120573, - "L3": 1.52587125734796, - "a7": 123.083882132594, - "L1": 1.32989636890597, + "a1": 121.543750135632, + "L4": 1.51992695117109, + "L5": 1.2311654416814, + "L2": 1.4553864519738, + "L3": null, + "a7": 121.519723321003, + "L1": 1.33171665647264, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.054737140323, - "bs": 149.0, - "a2": 109.924142743585, - "a5": 120.79335614253, + "ss": "T", + "a3": 117.22641752214, + "bs": 0.0, + "a2": null, + "a5": 120.702255381306, "sidechain_LEU": null, - "chainIndex": 193, + "chainIndex": 394, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.179536394779 + "a4": null } }, { - "pk": 1128, + "pk": 1127, "model": "pgd_core.residue", "fields": { - "aa": "h", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 68, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.246034766891, - "psi": 19.5720548266773, - "oldID": "418", - "bg": 13.46, + "a6": 117.405709629304, + "psi": -9.53808620999614, + "oldID": "396", + "bg": 49.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.9809349051559, + "protein": "1TWF", + "zeta": 37.3889727701141, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1130, + "next": 1128, "sidechain_SER": null, - "bm": 13.0, + "bm": 51.0, "xpr": false, "prev": 1126, "terminal_flag": false, - "phi": -90.5559687288673, + "phi": -78.1278150217549, "chainID": "A", "sidechain_GLN": null, - "ome": 168.170991664444, - "chi2": null, - "chi3": null, - "chi1": -71.1429801237116, - "chi4": null, + "ome": -178.611602990357, + "chi2": -44.5719494716231, + "chi3": 38.0028548491197, + "chi1": 33.4648269328354, + "chi4": -17.2930779510314, "chi5": null, - "a1": 122.426975256885, - "L4": 1.51623396393734, - "L5": 1.21594752068044, - "L2": 1.44347317413379, - "L3": 1.5210487509497, - "a7": 123.110104391846, - "L1": 1.32947554715567, + "a1": 121.172623884411, + "L4": 1.52389309111415, + "L5": 1.23086656621087, + "L2": 1.46787999016556, + "L3": 1.52147885316768, + "a7": 122.618501029207, + "L1": 1.34115747484547, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": -12.5739629485766, "ss": "T", - "a3": 115.744754536882, - "bs": 14.0, - "a2": 109.511519873658, - "a5": 120.632578419983, + "a3": 115.696998573515, + "bs": 49.0, + "a2": 103.046465542884, + "a5": 119.968666978702, "sidechain_LEU": null, - "chainIndex": 417, - "sidechain_HIS": 40, + "chainIndex": 395, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.507138508691 + "a4": 111.610502457064 } }, { - "pk": 1129, + "pk": 1128, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 40, "chain": "1TWFA", - "sidechain_ASP": 67, - "a6": 116.133099894866, - "psi": 169.986011397982, - "oldID": "195", - "bg": 145.91, + "sidechain_ASP": null, + "a6": 117.885789757277, + "psi": -31.0608054748923, + "oldID": "397", + "bg": 62.8, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8089654757524, + "zeta": 33.3543928888294, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1131, + "next": 1129, "sidechain_SER": null, - "bm": 143.0, + "bm": 56.0, "xpr": false, "prev": 1127, "terminal_flag": false, - "phi": -76.2182578971327, + "phi": -94.04930133322, "chainID": "A", "sidechain_GLN": null, - "ome": -179.916712178881, - "chi2": -64.4691978406959, + "ome": 177.798135703516, + "chi2": 166.5995778837, "chi3": null, - "chi1": -69.9185271164235, + "chi1": -61.8724951725977, "chi4": null, "chi5": null, - "a1": 121.907029636322, - "L4": 1.52732077676227, - "L5": 1.23196439650433, - "L2": 1.45916297932632, - "L3": 1.53227704985837, - "a7": 123.226220409666, - "L1": 1.32953702966169, + "a1": 120.548755820155, + "L4": 1.53214766186655, + "L5": 1.22819836706746, + "L2": 1.45710127849673, + "L3": 1.52660988949889, + "a7": 122.240386994994, + "L1": 1.32999961077315, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.367720350134, - "bs": 145.0, - "a2": 110.209119980845, - "a5": 120.64066987194, + "ss": "T", + "a3": 116.224055876589, + "bs": 62.0, + "a2": 109.216157129665, + "a5": 119.862978518646, "sidechain_LEU": null, - "chainIndex": 194, + "chainIndex": 396, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.382854410185 + "a4": 110.608445921365 } }, { - "pk": 1130, + "pk": 1129, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.461526839041, - "psi": 35.7007865317187, - "oldID": "419", - "bg": 0.0, + "a6": 117.553074398466, + "psi": 143.081629697225, + "oldID": "398", + "bg": 70.06, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.8634123510324, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1132, + "next": 1130, "sidechain_SER": null, - "bm": 15.0, + "bm": 58.0, "xpr": false, "prev": 1128, "terminal_flag": false, - "phi": 62.8294011241761, + "phi": -95.0088691857269, "chainID": "A", "sidechain_GLN": null, - "ome": 173.529292376079, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -176.743190029599, + "chi2": -174.030772840724, + "chi3": 70.6415804623329, + "chi1": -69.3236018142997, "chi4": null, "chi5": null, - "a1": 119.38126551102, - "L4": 1.51676403555395, - "L5": 1.2192003040325, - "L2": 1.44842680100774, - "L3": null, - "a7": 122.425210960791, - "L1": 1.32410110028167, - "sidechain_ARG": null, + "a1": 120.959578420689, + "L4": 1.5185889187663, + "L5": 1.23333226985607, + "L2": 1.462595255615, + "L3": 1.52125175954252, + "a7": 122.948323560928, + "L1": 1.33005581580528, + "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 92, "omep": null, - "ss": "T", - "a3": 119.880987899257, - "bs": 0.0, - "a2": null, - "a5": 120.049868578936, + "ss": "S", + "a3": 105.213023628749, + "bs": 71.0, + "a2": 111.456230330305, + "a5": 119.492985916297, "sidechain_LEU": null, - "chainIndex": 418, + "chainIndex": 397, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.575331470393 } }, { - "pk": 1131, + "pk": 1130, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.208686045154, - "psi": 130.090012082132, - "oldID": "196", - "bg": 139.43, + "a6": 119.104332031406, + "psi": -75.6011820386762, + "oldID": "399", + "bg": 48.82, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1540647552957, + "zeta": 31.8660626547868, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1133, + "next": 1131, "sidechain_SER": null, - "bm": 136.0, + "bm": 57.0, "xpr": false, "prev": 1129, "terminal_flag": false, - "phi": 67.0954287542845, + "phi": -52.3446846538017, "chainID": "A", "sidechain_GLN": null, - "ome": -179.743182648516, - "chi2": 166.34362532356, - "chi3": 57.1596604886383, - "chi1": -175.620647029764, + "ome": -179.629180951156, + "chi2": null, + "chi3": null, + "chi1": 168.916043161547, "chi4": null, "chi5": null, - "a1": 122.636330654448, - "L4": 1.53206610827945, - "L5": 1.230469450993, - "L2": 1.46168573551299, - "L3": 1.53577635192504, - "a7": 121.902417733575, - "L1": 1.3308773376762, + "a1": 120.167842926489, + "L4": 1.52146800943075, + "L5": 1.23132072434368, + "L2": 1.46001687098709, + "L3": 1.52611101205286, + "a7": 121.481365849131, + "L1": 1.33473918332426, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 89, + "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 110.476639465645, - "bs": 139.0, - "a2": 109.881208501932, - "a5": 120.881280103831, + "a3": 119.196611025577, + "bs": 47.0, + "a2": 112.325941232806, + "a5": 119.405281141195, "sidechain_LEU": null, - "chainIndex": 195, - "sidechain_HIS": null, + "chainIndex": 398, + "sidechain_HIS": 43, "h_bond_energy": 0.0, - "a4": 110.917705082834 + "a4": 108.038033416948 } }, { - "pk": 1132, + "pk": 1131, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 69, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.981535837057, - "psi": 46.4754262004831, - "oldID": "420", - "bg": 14.47, + "a6": 117.02912740947, + "psi": 72.5497626068119, + "oldID": "400", + "bg": 51.09, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.6431320263598, + "protein": "1TWF", + "zeta": 37.3645646459303, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1134, + "next": 1132, "sidechain_SER": null, - "bm": 14.0, + "bm": 52.0, "xpr": false, "prev": 1130, "terminal_flag": false, - "phi": -85.4918791901482, + "phi": -61.8441135562121, "chainID": "A", "sidechain_GLN": null, - "ome": 179.720586729336, - "chi2": 170.408657706714, - "chi3": null, - "chi1": -74.5065376783938, - "chi4": null, + "ome": -179.697902554521, + "chi2": 39.8061027967087, + "chi3": -39.7716057298304, + "chi1": -23.6772149951414, + "chi4": 25.9066834806029, "chi5": null, - "a1": 121.064471863884, - "L4": 1.55467649207941, - "L5": 1.24231974525359, - "L2": 1.46054594233553, - "L3": 1.53724566798483, - "a7": 122.534185276569, - "L1": 1.3220437718725, + "a1": 112.438977705665, + "L4": 1.5359376439133, + "L5": 1.22574713016237, + "L2": 1.47017732238611, + "L3": 1.53403571107081, + "a7": 122.966006828195, + "L1": 1.34641341872683, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.537630359834, - "bs": 14.0, - "a2": 110.317107222437, - "a5": 122.474502098765, - "sidechain_LEU": 91, - "chainIndex": 419, + "omep": -1.04659323178317, + "ss": "S", + "a3": 110.826787549312, + "bs": 51.0, + "a2": 103.372218826684, + "a5": 120.002506810967, + "sidechain_LEU": null, + "chainIndex": 399, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.512693254492 + "a4": 112.492660549579 } }, { - "pk": 1133, + "pk": 1132, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 52, + "aa": "g", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.901104022648, - "psi": 160.863341638956, - "oldID": "197", - "bg": 129.95, + "a6": 117.082987018024, + "psi": -158.331318721989, + "oldID": "401", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.8103475654717, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1135, + "next": 1133, "sidechain_SER": null, - "bm": 127.0, + "bm": 46.0, "xpr": false, "prev": 1131, "terminal_flag": false, - "phi": -91.769373448476, + "phi": -133.051598901573, "chainID": "A", "sidechain_GLN": null, - "ome": 178.513822365996, - "chi2": -43.7948270195707, - "chi3": 31.0642517079375, - "chi1": 39.3080209688007, - "chi4": -6.13326840163575, + "ome": 179.099951940176, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 122.752168850513, - "L4": 1.52768982036907, - "L5": 1.22968467835576, - "L2": 1.46657016576239, - "L3": 1.52131813445543, - "a7": 122.822460780083, - "L1": 1.34302034265866, + "a1": 122.372677132659, + "L4": 1.52383580037857, + "L5": 1.2329247452444, + "L2": 1.4566375979317, + "L3": null, + "a7": 123.009063130032, + "L1": 1.33727534660397, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -14.5637230049502, + "omep": null, "ss": "-", - "a3": 115.814688873255, - "bs": 129.0, - "a2": 102.39220772154, - "a5": 121.276415887123, + "a3": 112.940968651769, + "bs": 0.0, + "a2": null, + "a5": 119.891727815626, "sidechain_LEU": null, - "chainIndex": 196, + "chainIndex": 400, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.651038347475 + "a4": null } }, { - "pk": 1134, + "pk": 1133, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.525733537011, - "psi": 147.256620492551, - "oldID": "421", - "bg": 17.64, + "a6": 116.95056709117, + "psi": 171.24879015109, + "oldID": "402", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8209108819466, + "protein": "1TWF", + "zeta": 33.9705014239753, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1136, + "next": 1134, "sidechain_SER": null, - "bm": 15.0, + "bm": 43.0, "xpr": false, "prev": 1132, "terminal_flag": false, - "phi": -141.228236088174, + "phi": -148.403126953827, "chainID": "A", "sidechain_GLN": null, - "ome": -170.838515361901, - "chi2": 167.603861105621, + "ome": -178.546479764877, + "chi2": null, "chi3": null, - "chi1": -67.6685127457443, + "chi1": null, "chi4": null, "chi5": null, - "a1": 124.58370561648, - "L4": 1.50983842778003, - "L5": 1.212206260918, - "L2": 1.46564186984792, - "L3": 1.54481384767396, - "a7": 122.659994994505, - "L1": 1.32968944369077, + "a1": 122.487916262646, + "L4": 1.51977249618359, + "L5": 1.23145095020288, + "L2": 1.46977046520977, + "L3": 1.5331565422469, + "a7": 122.699322234171, + "L1": 1.33756388336911, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 106.627723391896, - "bs": 18.0, - "a2": 111.308165911179, - "a5": 119.813043508096, - "sidechain_LEU": 92, - "chainIndex": 420, + "ss": "E", + "a3": 109.614597851292, + "bs": 41.0, + "a2": 111.01464542086, + "a5": 120.349115276639, + "sidechain_LEU": null, + "chainIndex": 401, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.354613211652 + "a4": 110.293017276038 } }, { - "pk": 1135, + "pk": 1134, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.168036605041, - "psi": 87.5252105169398, - "oldID": "198", - "bg": 122.74, + "a6": 115.59952436198, + "psi": -28.5566018077423, + "oldID": "403", + "bg": 40.63, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8245807911328, + "zeta": 34.715429511139, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 67, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1137, + "next": 1135, "sidechain_SER": null, - "bm": 118.0, + "bm": 39.0, "xpr": false, "prev": 1133, "terminal_flag": false, - "phi": -109.648980414907, + "phi": -113.92304118734, "chainID": "A", "sidechain_GLN": null, - "ome": -179.123227643583, - "chi2": -148.234299965814, - "chi3": 65.2704959094912, - "chi1": -50.8676060674099, - "chi4": null, + "ome": -179.295396493679, + "chi2": 173.644919645254, + "chi3": 86.7515260634615, + "chi1": -68.9950637802606, + "chi4": 168.478881809811, "chi5": null, - "a1": 121.704618305286, - "L4": 1.52340891824444, - "L5": 1.22878369703136, - "L2": 1.45688435182788, - "L3": 1.53088423406546, - "a7": 123.128680237404, - "L1": 1.32885037374669, + "a1": 120.847728706226, + "L4": 1.51859561301649, + "L5": 1.23231502647432, + "L2": 1.46499487415353, + "L3": 1.53917574159203, + "a7": 123.379470604084, + "L1": 1.33000005379799, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 90, + "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.22645226471, - "bs": 123.0, - "a2": 110.858885097259, - "a5": 120.70163886962, + "a3": 112.625408096154, + "bs": 43.0, + "a2": 109.940625837947, + "a5": 121.020819285009, "sidechain_LEU": null, - "chainIndex": 197, + "chainIndex": 402, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.615925456986 + "a4": 109.493490565975 } }, { - "pk": 1136, + "pk": 1135, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.564731402898, - "psi": -24.9060486684346, - "oldID": "422", - "bg": 16.79, + "a6": 114.28973446933, + "psi": 161.788326965833, + "oldID": "404", + "bg": 34.95, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7974346167529, + "protein": "1TWF", + "zeta": 35.544286204656, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 29, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1138, + "next": 1136, "sidechain_SER": null, - "bm": 14.0, + "bm": 41.0, "xpr": false, "prev": 1134, "terminal_flag": false, - "phi": -65.1987187324101, + "phi": -145.343363397607, "chainID": "A", "sidechain_GLN": null, - "ome": -170.833695304202, - "chi2": 93.4245607093266, - "chi3": -168.476012798958, - "chi1": 67.4101566713358, + "ome": 178.027113909661, + "chi2": 89.3707065171181, + "chi3": null, + "chi1": -59.9126728119433, "chi4": null, "chi5": null, - "a1": 120.221498167795, - "L4": 1.52252282701946, - "L5": 1.2275530851287, - "L2": 1.45574790852511, - "L3": 1.53580172147145, - "a7": 123.232825567454, - "L1": 1.32637718467644, + "a1": 121.801496224399, + "L4": 1.51541695833921, + "L5": 1.23201547045887, + "L2": 1.45279714478365, + "L3": 1.52545759118487, + "a7": 124.098017218351, + "L1": 1.32830063135995, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 27, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.365498605102, - "bs": 16.0, - "a2": 110.396763932748, - "a5": 120.16799247165, + "ss": "E", + "a3": 112.545744101242, + "bs": 36.0, + "a2": 110.354165921066, + "a5": 121.609275541398, "sidechain_LEU": null, - "chainIndex": 421, + "chainIndex": 403, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.588950392963 + "a4": 107.879880942153 } }, { - "pk": 1137, + "pk": 1136, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.036788900169, - "psi": 121.494227822525, - "oldID": "199", - "bg": 108.68, + "a6": 117.231280040092, + "psi": 110.983395248492, + "oldID": "405", + "bg": 46.91, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6304630634381, + "zeta": 35.6246653601724, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 85, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1139, + "next": 1137, "sidechain_SER": null, - "bm": 108.0, + "bm": 48.0, "xpr": false, "prev": 1135, "terminal_flag": false, - "phi": -82.6608106223671, + "phi": -137.41270512713, "chainID": "A", "sidechain_GLN": null, - "ome": 178.768473792989, - "chi2": 157.459147412586, + "ome": -179.857563283951, + "chi2": null, "chi3": null, - "chi1": -81.7005704960806, + "chi1": -178.184072869154, "chi4": null, "chi5": null, - "a1": 121.944108344942, - "L4": 1.52267580790272, - "L5": 1.22991855777697, - "L2": 1.45850995966107, - "L3": 1.53119266371532, - "a7": 123.107153055958, - "L1": 1.32788786675427, + "a1": 123.919813144611, + "L4": 1.52619402198934, + "L5": 1.22925296248006, + "L2": 1.44891572131009, + "L3": 1.55035979407685, + "a7": 122.757027368164, + "L1": 1.32536831739825, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 114.224678935422, - "bs": 108.0, - "a2": 109.85596070829, - "a5": 120.855359868193, - "sidechain_LEU": 93, - "chainIndex": 198, + "a3": 102.233367377568, + "bs": 47.0, + "a2": 111.373859607103, + "a5": 119.956479451215, + "sidechain_LEU": null, + "chainIndex": 404, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.109871682602 + "a4": 109.548869983925 } }, { - "pk": 1138, + "pk": 1137, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.824645533566, - "psi": -5.55925882753337, - "oldID": "423", - "bg": 16.01, + "a6": 116.6055140946, + "psi": 129.167564099978, + "oldID": "406", + "bg": 52.56, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6032301424793, + "sidechain_ILE": 62, + "protein": "1TWF", + "zeta": 34.7217545394255, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1140, + "next": 1138, "sidechain_SER": null, - "bm": 14.0, + "bm": 56.0, "xpr": false, "prev": 1136, "terminal_flag": false, - "phi": -96.4385882379938, + "phi": -96.9596389642137, "chainID": "A", "sidechain_GLN": null, - "ome": 179.848641203413, - "chi2": null, + "ome": -179.390522291604, + "chi2": 76.7149749166249, "chi3": null, - "chi1": 64.9814064204686, + "chi1": -63.9529403094809, "chi4": null, "chi5": null, - "a1": 121.310654425994, - "L4": 1.53118282868458, - "L5": 1.22657786645206, - "L2": 1.44945812077339, - "L3": 1.53862922804139, - "a7": 123.224880779611, - "L1": 1.33125246082395, + "a1": 121.383313409774, + "L4": 1.52320116997094, + "L5": 1.23295492030783, + "L2": 1.4624101072891, + "L3": 1.55407533414545, + "a7": 122.896768041338, + "L1": 1.33062362283758, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.779146215618, - "bs": 16.0, - "a2": 110.448647163483, - "a5": 119.950346307996, + "ss": "E", + "a3": 108.619903306937, + "bs": 53.0, + "a2": 112.207523045524, + "a5": 120.497404460804, "sidechain_LEU": null, - "chainIndex": 422, - "sidechain_HIS": 41, + "chainIndex": 405, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.75167362502 + "a4": 108.539644593681 } }, { - "pk": 1139, + "pk": 1138, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -132256,2256 +120091,2256 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.470599061714, - "psi": 144.700448558489, - "oldID": "200", - "bg": 105.06, + "a6": 115.829768599271, + "psi": 159.437862026496, + "oldID": "407", + "bg": 67.81, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0109042906126, + "zeta": 34.7529779583423, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1141, + "next": 1139, "sidechain_SER": null, - "bm": 100.0, + "bm": 66.0, "xpr": false, "prev": 1137, "terminal_flag": false, - "phi": -145.082166982604, + "phi": -89.006254026345, "chainID": "A", "sidechain_GLN": null, - "ome": -179.494954524804, - "chi2": 168.439175852588, - "chi3": -168.882354966768, - "chi1": 75.3050647079511, - "chi4": -177.039363437277, - "chi5": 0.0101968277333065, - "a1": 122.126751475765, - "L4": 1.52561858161905, - "L5": 1.2309844083271, - "L2": 1.45737742037043, - "L3": 1.52419276253814, - "a7": 122.518534430389, - "L1": 1.32904027129832, - "sidechain_ARG": 57, + "ome": 179.687795119172, + "chi2": 146.93004853824, + "chi3": 67.8811258689807, + "chi1": -65.5803685365044, + "chi4": -156.632339843056, + "chi5": 0.310221385587091, + "a1": 121.670882357206, + "L4": 1.52557094491903, + "L5": 1.23200086848981, + "L2": 1.46100246565609, + "L3": 1.5299797998048, + "a7": 123.290605867627, + "L1": 1.32893013455315, + "sidechain_ARG": 59, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.044905880053, - "bs": 108.0, - "a2": 111.023058928468, - "a5": 121.010669011152, + "ss": "-", + "a3": 111.850147711983, + "bs": 70.0, + "a2": 109.950459384875, + "a5": 120.878419109264, "sidechain_LEU": null, - "chainIndex": 199, + "chainIndex": 406, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.104259375487 + "a4": 109.550357632043 } }, { - "pk": 1140, + "pk": 1139, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.134346899311, - "psi": 140.890287566628, - "oldID": "424", - "bg": 14.31, + "chain": "1TWFA", + "sidechain_ASP": 73, + "a6": 115.61258629876, + "psi": -56.8746409420272, + "oldID": "408", + "bg": 77.77, "sidechain_CYS": null, - "sidechain_ILE": 61, - "protein": "1H0H", - "zeta": 33.9709416688186, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 35.1630490550429, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1143, + "next": 1140, "sidechain_SER": null, - "bm": 14.0, + "bm": 74.0, "xpr": false, "prev": 1138, "terminal_flag": false, - "phi": -141.574927786821, + "phi": -33.0449975848297, "chainID": "A", "sidechain_GLN": null, - "ome": 166.690717886955, - "chi2": 169.383416467425, + "ome": -178.803580615535, + "chi2": -25.9118576354438, "chi3": null, - "chi1": 44.6335814500046, + "chi1": -84.5197831966336, "chi4": null, "chi5": null, - "a1": 121.232653495037, - "L4": 1.51461320543842, - "L5": 1.25321712081919, - "L2": 1.46082383287315, - "L3": 1.56621926704134, - "a7": 124.250791201248, - "L1": 1.3284046641842, + "a1": 122.708009994285, + "L4": 1.52371421219172, + "L5": 1.23411804319703, + "L2": 1.46172314700375, + "L3": 1.53169455865724, + "a7": 123.406431971002, + "L1": 1.33008299121719, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 114.778596020864, - "bs": 14.0, - "a2": 112.105806566337, - "a5": 120.608719829282, + "ss": "T", + "a3": 113.713934882981, + "bs": 77.0, + "a2": 109.951619509201, + "a5": 120.980052622085, "sidechain_LEU": null, - "chainIndex": 423, + "chainIndex": 407, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.881005389143 + "a4": 108.439438467244 } }, { - "pk": 1141, + "pk": 1140, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.28575061462, - "psi": 132.951422690517, - "oldID": "201", - "bg": 92.66, + "a6": 116.723524989262, + "psi": -10.194160671839, + "oldID": "409", + "bg": 79.44, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6565217458888, + "zeta": 34.7126510811371, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 84, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1142, - "sidechain_SER": null, - "bm": 91.0, + "next": 1141, + "sidechain_SER": 51, + "bm": 76.0, "xpr": false, "prev": 1139, "terminal_flag": false, - "phi": -78.4911846898443, + "phi": -60.4577743557037, "chainID": "A", "sidechain_GLN": null, - "ome": 179.277500360218, + "ome": 179.918740421573, "chi2": null, "chi3": null, - "chi1": -168.942677421999, + "chi1": 55.660537156081, "chi4": null, "chi5": null, - "a1": 120.861755344415, - "L4": 1.52772341035563, - "L5": 1.23043989459338, - "L2": 1.45070432039993, - "L3": 1.54059356590194, - "a7": 122.891684682814, - "L1": 1.32426686767859, + "a1": 122.525704785642, + "L4": 1.52312555698542, + "L5": 1.2318980043491, + "L2": 1.45784777668486, + "L3": 1.52237296309165, + "a7": 122.811815392058, + "L1": 1.32883667384867, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.340888363524, - "bs": 92.0, - "a2": 110.518830058146, - "a5": 120.816531870156, + "ss": "T", + "a3": 114.431897263779, + "bs": 78.0, + "a2": 109.46069437229, + "a5": 120.464618956452, "sidechain_LEU": null, - "chainIndex": 200, + "chainIndex": 408, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.443115172663 + "a4": 109.238701508998 } }, { - "pk": 1142, + "pk": 1141, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.535331231437, - "psi": 117.964842135654, - "oldID": "202", - "bg": 84.7, + "a6": 116.809004107188, + "psi": 6.45731845786664, + "oldID": "410", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1816453790059, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1144, + "next": 1142, "sidechain_SER": null, - "bm": 84.0, + "bm": 76.0, "xpr": false, - "prev": 1141, + "prev": 1140, "terminal_flag": false, - "phi": -76.6663364111215, + "phi": 98.0923639461143, "chainID": "A", "sidechain_GLN": null, - "ome": -179.794415070028, - "chi2": 171.788749871825, + "ome": 179.413847711983, + "chi2": null, "chi3": null, - "chi1": -70.1895129279488, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.037913737221, - "L4": 1.52173092707468, - "L5": 1.23243491642993, - "L2": 1.46049407196758, - "L3": 1.53321822050076, - "a7": 122.911596640088, - "L1": 1.33141754398475, + "a1": 120.198008152241, + "L4": 1.51874643140537, + "L5": 1.2296266195883, + "L2": 1.45298633232559, + "L3": null, + "a7": 122.849058787561, + "L1": 1.32871781574387, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.732875906733, - "bs": 84.0, - "a2": 110.512257813473, - "a5": 120.55290881801, - "sidechain_LEU": 94, - "chainIndex": 201, + "ss": "-", + "a3": 113.831297608988, + "bs": 0.0, + "a2": null, + "a5": 120.34134200101, + "sidechain_LEU": null, + "chainIndex": 409, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.306940387809 + "a4": null } }, { - "pk": 1143, + "pk": 1142, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.606368736799, - "psi": 168.137003407099, - "oldID": "425", - "bg": 14.6, + "chain": "1TWFA", + "sidechain_ASP": 74, + "a6": 116.474621685667, + "psi": 134.899106711685, + "oldID": "411", + "bg": 81.54, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.1400747529023, + "protein": "1TWF", + "zeta": 35.422962173172, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1145, + "next": 1143, "sidechain_SER": null, - "bm": 14.0, + "bm": 73.0, "xpr": false, - "prev": 1140, + "prev": 1141, "terminal_flag": false, - "phi": -83.2090104840217, + "phi": -71.7332205252549, "chainID": "A", "sidechain_GLN": null, - "ome": 171.500687263351, - "chi2": -61.5684714842822, + "ome": 179.051776957482, + "chi2": -61.8104180678786, "chi3": null, - "chi1": -57.0548944381339, + "chi1": -76.3020008605535, "chi4": null, "chi5": null, - "a1": 122.851314402313, - "L4": 1.52861650620408, - "L5": 1.23664821811681, - "L2": 1.47291281995702, - "L3": 1.53156972812754, - "a7": 122.282296813732, - "L1": 1.33304193206754, + "a1": 122.224402397172, + "L4": 1.51900677376706, + "L5": 1.22936972341119, + "L2": 1.46060110434279, + "L3": 1.53150357775691, + "a7": 123.306674111317, + "L1": 1.33149530024052, "sidechain_ARG": null, - "sidechain_TYR": 36, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.36172012483, - "bs": 14.0, - "a2": 112.47399679799, - "a5": 121.070342298975, + "ss": "-", + "a3": 111.310360927896, + "bs": 81.0, + "a2": 110.44320335872, + "a5": 120.214355448735, "sidechain_LEU": null, - "chainIndex": 424, + "chainIndex": 410, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.166224573589 + "a4": 108.313057323822 } }, { - "pk": 1144, + "pk": 1143, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.234859062283, - "psi": 151.61279228693, - "oldID": "203", - "bg": 76.2, + "a6": 115.873956207406, + "psi": 133.19932213688, + "oldID": "412", + "bg": 62.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6570885585429, + "zeta": 35.3151750663651, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1146, - "sidechain_SER": 50, - "bm": 79.0, + "next": 1144, + "sidechain_SER": null, + "bm": 62.0, "xpr": false, "prev": 1142, "terminal_flag": false, - "phi": -74.4937616717482, + "phi": -98.8506907346007, "chainID": "A", "sidechain_GLN": null, - "ome": -179.714989849261, - "chi2": null, - "chi3": null, - "chi1": 72.0788065934808, - "chi4": null, - "chi5": null, - "a1": 121.197659374744, - "L4": 1.52092629769394, - "L5": 1.22855136079475, - "L2": 1.46077909510186, - "L3": 1.53096206872701, - "a7": 122.910932803865, - "L1": 1.32874628542422, - "sidechain_ARG": null, + "ome": 179.471868251531, + "chi2": 173.833038598587, + "chi3": 168.990189075232, + "chi1": -89.4927867655701, + "chi4": -78.9262471831174, + "chi5": -0.75701322583141, + "a1": 121.954394183573, + "L4": 1.51562337211087, + "L5": 1.23227857373164, + "L2": 1.45977458563052, + "L3": 1.5188924102554, + "a7": 123.159990773714, + "L1": 1.33142454386969, + "sidechain_ARG": 60, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.6887722739, - "bs": 77.0, - "a2": 110.739352172469, - "a5": 120.854076824372, + "ss": "E", + "a3": 111.891720840817, + "bs": 64.0, + "a2": 110.816995140136, + "a5": 120.957510613893, "sidechain_LEU": null, - "chainIndex": 202, + "chainIndex": 411, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.275030280409 + "a4": 107.792543540821 } }, { - "pk": 1145, + "pk": 1144, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 53, + "aa": "i", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.50315763555, - "psi": 135.652609125606, - "oldID": "426", - "bg": 15.49, + "a6": 116.516792976318, + "psi": 110.667839095774, + "oldID": "413", + "bg": 46.58, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.3626261489108, + "sidechain_ILE": 63, + "protein": "1TWF", + "zeta": 34.9378649751865, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1147, + "next": 1145, "sidechain_SER": null, - "bm": 14.0, + "bm": 54.0, "xpr": false, "prev": 1143, "terminal_flag": false, - "phi": -45.4272422291704, + "phi": -114.94545358917, "chainID": "A", "sidechain_GLN": null, - "ome": 178.157332437861, - "chi2": 35.0436257442969, - "chi3": -26.8518537913807, - "chi1": -28.6266200009977, - "chi4": 8.3181401283432, + "ome": -179.601555158114, + "chi2": 174.796063211149, + "chi3": null, + "chi1": -51.2298545634058, + "chi4": null, "chi5": null, - "a1": 120.895438537505, - "L4": 1.55729059010864, - "L5": 1.22990490722548, - "L2": 1.46422007992682, - "L3": 1.53450085182749, - "a7": 121.132686199006, - "L1": 1.32416532255231, + "a1": 121.005763940449, + "L4": 1.51783925146834, + "L5": 1.22313373316808, + "L2": 1.45070723317379, + "L3": 1.53399042055444, + "a7": 123.123922300771, + "L1": 1.32625945850676, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -7.37034210501197, - "ss": "T", - "a3": 111.828294668112, - "bs": 14.0, - "a2": 103.07283663125, - "a5": 123.342632469404, + "omep": null, + "ss": "E", + "a3": 108.029293361742, + "bs": 47.0, + "a2": 111.228729060637, + "a5": 120.358956940736, "sidechain_LEU": null, - "chainIndex": 425, + "chainIndex": 412, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.514238006634 + "a4": 109.239277584272 } }, { - "pk": 1146, + "pk": 1145, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.471894775594, - "psi": -28.2401042118249, - "oldID": "204", - "bg": 78.72, + "sidechain_ASP": 75, + "a6": 116.721542458436, + "psi": 106.438205693106, + "oldID": "414", + "bg": 53.09, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7483183500957, + "zeta": 35.4812945557685, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 58, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1148, + "next": 1146, "sidechain_SER": null, - "bm": 79.0, + "bm": 55.0, "xpr": false, "prev": 1144, "terminal_flag": false, - "phi": -59.3496377205973, + "phi": -75.8380662714194, "chainID": "A", "sidechain_GLN": null, - "ome": -179.533093609227, - "chi2": null, + "ome": -178.976261862632, + "chi2": -31.1694180877255, "chi3": null, - "chi1": -53.0871228135789, + "chi1": -165.49861105415, "chi4": null, "chi5": null, - "a1": 121.116437917464, - "L4": 1.52204765631225, - "L5": 1.22774758568637, - "L2": 1.45025106393355, - "L3": 1.54010751051877, - "a7": 123.079561950334, - "L1": 1.32602628918326, + "a1": 121.580371496841, + "L4": 1.5239022222091, + "L5": 1.23108012654328, + "L2": 1.45639103086497, + "L3": 1.52222362937786, + "a7": 123.117268068, + "L1": 1.32762903115347, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.093101416218, - "bs": 78.0, - "a2": 111.17851757693, - "a5": 120.446198651372, + "ss": "E", + "a3": 110.497459155067, + "bs": 52.0, + "a2": 109.61248859696, + "a5": 120.153655229148, "sidechain_LEU": null, - "chainIndex": 203, + "chainIndex": 413, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.044221155004 + "a4": 109.178296007036 } }, { - "pk": 1147, + "pk": 1146, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.282362314515, - "psi": 16.0585819088952, - "oldID": "427", - "bg": 0.0, + "a6": 117.371480730515, + "psi": -14.1327219015945, + "oldID": "415", + "bg": 49.01, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 33.6860882091596, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1149, + "next": 1147, "sidechain_SER": null, - "bm": 14.0, + "bm": 55.0, "xpr": false, "prev": 1145, "terminal_flag": false, - "phi": 86.6416567220412, + "phi": -59.5724623670655, "chainID": "A", "sidechain_GLN": null, - "ome": 174.943023142134, - "chi2": null, + "ome": 179.848200334301, + "chi2": -177.731609481819, "chi3": null, - "chi1": null, + "chi1": -62.1271727491949, "chi4": null, "chi5": null, - "a1": 121.213435652047, - "L4": 1.52564963682078, - "L5": 1.23351964225344, - "L2": 1.4518053565469, - "L3": null, - "a7": 122.551730437498, - "L1": 1.32038830065278, + "a1": 122.68615070082, + "L4": 1.52655407305342, + "L5": 1.23465628218741, + "L2": 1.46560214502196, + "L3": 1.5318248559227, + "a7": 122.214210491204, + "L1": 1.33094434584383, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 113.168864375595, - "bs": 0.0, - "a2": null, - "a5": 120.124820351013, - "sidechain_LEU": null, - "chainIndex": 426, + "a3": 117.627829350815, + "bs": 48.0, + "a2": 109.888509247986, + "a5": 120.411861255439, + "sidechain_LEU": 95, + "chainIndex": 414, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.019546791979 } }, { - "pk": 1148, + "pk": 1147, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.735185940168, - "psi": -37.911811355492, - "oldID": "205", - "bg": 91.68, + "a6": 115.915359615379, + "psi": -29.5897425114135, + "oldID": "416", + "bg": 68.01, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1586053230706, + "zeta": 34.1726133659513, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1150, + "next": 1148, "sidechain_SER": null, - "bm": 80.0, + "bm": 59.0, "xpr": false, "prev": 1146, "terminal_flag": false, - "phi": -71.3968948312263, + "phi": -95.4123149400098, "chainID": "A", "sidechain_GLN": null, - "ome": 179.446808816942, - "chi2": -169.77916311646, - "chi3": 59.5700899183794, - "chi1": -173.30922148473, - "chi4": null, - "chi5": null, - "a1": 121.892507146234, - "L4": 1.52721743118795, - "L5": 1.22726832884627, - "L2": 1.45664175887088, - "L3": 1.5302846104357, - "a7": 122.381680864162, - "L1": 1.32999940498075, - "sidechain_ARG": null, + "ome": 179.423453973083, + "chi2": -172.482018044907, + "chi3": 173.633776673985, + "chi1": 53.1675652022433, + "chi4": -178.138621673745, + "chi5": 0.0588219125178083, + "a1": 119.693413900408, + "L4": 1.52062791555441, + "L5": 1.23018834133362, + "L2": 1.45380377810758, + "L3": 1.52695814809846, + "a7": 123.208635920437, + "L1": 1.32540228100528, + "sidechain_ARG": 61, "sidechain_TYR": null, - "sidechain_GLU": 91, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.801852093242, - "bs": 93.0, - "a2": 110.379374739058, - "a5": 119.883052537547, + "ss": "T", + "a3": 110.73690943372, + "bs": 71.0, + "a2": 110.303813531096, + "a5": 120.874754594295, "sidechain_LEU": null, - "chainIndex": 204, + "chainIndex": 415, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.661368414337 + "a4": 110.396234688715 } }, { - "pk": 1149, + "pk": 1148, "model": "pgd_core.residue", "fields": { "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.45445397788, - "psi": 33.8619624664302, - "oldID": "428", - "bg": 15.93, + "a6": 118.159102393718, + "psi": 86.5691573492921, + "oldID": "417", + "bg": 64.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.707673116578, + "protein": "1TWF", + "zeta": 36.1687243374635, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1151, + "next": 1149, "sidechain_SER": null, - "bm": 13.0, + "bm": 62.0, "xpr": false, "prev": 1147, "terminal_flag": false, - "phi": 66.6139624660424, + "phi": -123.982701156367, "chainID": "A", "sidechain_GLN": null, - "ome": 177.34937282176, - "chi2": -79.8129239323709, + "ome": 178.906861814112, + "chi2": -50.4303305075799, "chi3": null, - "chi1": -58.0013402572037, + "chi1": -46.0226355553968, "chi4": null, "chi5": null, - "a1": 120.603992034762, - "L4": 1.51666118094563, - "L5": 1.23375240720232, - "L2": 1.46697124071499, - "L3": 1.54859758266574, - "a7": 123.282503805396, - "L1": 1.32994190057052, + "a1": 122.432813592444, + "L4": 1.5233702802078, + "L5": 1.22960326496388, + "L2": 1.4580752817001, + "L3": 1.5339170574965, + "a7": 122.291957056783, + "L1": 1.32836216075357, "sidechain_ARG": null, - "sidechain_TYR": 37, + "sidechain_TYR": 28, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.547654541044, - "bs": 15.0, - "a2": 110.341264594594, - "a5": 121.236570967429, + "ss": "S", + "a3": 107.446755249408, + "bs": 65.0, + "a2": 110.838830909802, + "a5": 119.545294079741, "sidechain_LEU": null, - "chainIndex": 427, + "chainIndex": 416, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.845104167146 + "a4": 107.778229816598 } }, { - "pk": 1150, + "pk": 1149, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.145416186186, - "psi": -54.919995571988, - "oldID": "206", - "bg": 83.91, + "a6": 116.476843780584, + "psi": 122.319487401099, + "oldID": "418", + "bg": 49.7, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.00541694801, + "zeta": 34.3177798081957, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1152, - "sidechain_SER": null, - "bm": 77.0, + "next": 1150, + "sidechain_SER": 52, + "bm": 57.0, "xpr": false, "prev": 1148, "terminal_flag": false, - "phi": -63.06558927672, + "phi": -166.07099489095, "chainID": "A", "sidechain_GLN": null, - "ome": -179.642536524143, - "chi2": -177.896043059845, - "chi3": 12.5637285726326, - "chi1": -56.2659290343063, + "ome": -179.065485305158, + "chi2": null, + "chi3": null, + "chi1": 177.457516207026, "chi4": null, "chi5": null, - "a1": 120.76172782743, - "L4": 1.52403484553003, - "L5": 1.23458391558078, - "L2": 1.46205442920393, - "L3": 1.53067902446636, - "a7": 123.461562725024, - "L1": 1.33161830426834, + "a1": 120.628073986375, + "L4": 1.51376459890908, + "L5": 1.22706135969024, + "L2": 1.46442685727104, + "L3": 1.53033590463619, + "a7": 123.130109756942, + "L1": 1.32869169344408, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 92, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.533176820929, - "bs": 84.0, - "a2": 111.319902442904, - "a5": 120.39293051826, + "ss": "-", + "a3": 110.637534063489, + "bs": 52.0, + "a2": 111.053878325834, + "a5": 120.390358343484, "sidechain_LEU": null, - "chainIndex": 205, + "chainIndex": 417, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.470378445925 + "a4": 109.47118734959 } }, { - "pk": 1151, + "pk": 1150, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.508006487245, - "psi": 123.216461784745, - "oldID": "429", - "bg": 15.35, + "a6": 117.149670476902, + "psi": 8.6859048230544, + "oldID": "419", + "bg": 54.5, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0502838445571, + "protein": "1TWF", + "zeta": 34.874147698036, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 68, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1153, + "next": 1151, "sidechain_SER": null, - "bm": 14.0, + "bm": 55.0, "xpr": false, "prev": 1149, "terminal_flag": false, - "phi": -96.3039624901753, + "phi": -62.0656476653562, "chainID": "A", "sidechain_GLN": null, - "ome": -177.8088038861, - "chi2": 176.018781012806, - "chi3": null, - "chi1": -45.0389382216819, - "chi4": null, + "ome": -179.392024412687, + "chi2": -173.79035961399, + "chi3": 79.9913673330389, + "chi1": 77.5711775386931, + "chi4": 76.6803381352358, "chi5": null, - "a1": 121.434272485655, - "L4": 1.52460892181707, - "L5": 1.23494277237687, - "L2": 1.44899110983153, - "L3": 1.53416726781562, - "a7": 122.887174424559, - "L1": 1.33159079168015, + "a1": 121.572701540033, + "L4": 1.52349210630567, + "L5": 1.22533550716155, + "L2": 1.45734002820077, + "L3": 1.52922352834665, + "a7": 122.590735316087, + "L1": 1.33005908579121, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.121757140353, - "bs": 15.0, - "a2": 111.033001762638, - "a5": 120.598989626514, - "sidechain_LEU": 95, - "chainIndex": 428, + "ss": "T", + "a3": 112.1140619574, + "bs": 53.0, + "a2": 110.147136983826, + "a5": 120.259580475263, + "sidechain_LEU": null, + "chainIndex": 418, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.731449521996 + "a4": 109.127258670651 } }, { - "pk": 1152, + "pk": 1151, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.927622157771, - "psi": -56.2816703084756, - "oldID": "207", - "bg": 69.56, + "a6": 116.462954119455, + "psi": 19.3533372621599, + "oldID": "420", + "bg": 56.23, "sidechain_CYS": null, - "sidechain_ILE": 62, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8971693536792, + "zeta": 34.4220878269459, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1154, + "next": 1152, "sidechain_SER": null, - "bm": 68.0, + "bm": 57.0, "xpr": false, "prev": 1150, "terminal_flag": false, - "phi": -51.2750000295485, + "phi": -140.979750932464, "chainID": "A", "sidechain_GLN": null, - "ome": -179.286058619022, - "chi2": -58.2557447972011, - "chi3": null, - "chi1": -50.6144132444895, - "chi4": null, - "chi5": null, - "a1": 122.479021200997, - "L4": 1.52569086960069, - "L5": 1.22497397959276, - "L2": 1.46260112228967, - "L3": 1.57051377504657, - "a7": 123.072438829335, - "L1": 1.33485077753235, - "sidechain_ARG": null, + "ome": 179.834711163942, + "chi2": -167.453318692183, + "chi3": 59.7255427851216, + "chi1": -63.9030884598741, + "chi4": -173.77297569608, + "chi5": -0.053213218241586, + "a1": 120.784520923778, + "L4": 1.51070853346455, + "L5": 1.22276965116641, + "L2": 1.4496752837326, + "L3": 1.5261307438575, + "a7": 122.902532450346, + "L1": 1.32717651957337, + "sidechain_ARG": 62, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.506698239858, - "bs": 69.0, - "a2": 112.293663624017, - "a5": 120.998417855193, + "ss": "T", + "a3": 112.757947018013, + "bs": 57.0, + "a2": 110.347761341348, + "a5": 120.634313960171, "sidechain_LEU": null, - "chainIndex": 206, + "chainIndex": 419, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.116842843064 + "a4": 109.432316839524 } }, { - "pk": 1153, + "pk": 1152, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.943084798137, - "psi": 141.021302145149, - "oldID": "430", + "a6": 116.575170431585, + "psi": -44.9630756856499, + "oldID": "421", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.5212324802438, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1155, + "next": 1153, "sidechain_SER": null, - "bm": 14.0, + "bm": 61.0, "xpr": false, "prev": 1151, "terminal_flag": false, - "phi": -55.6311769882267, + "phi": -48.7137292291913, "chainID": "A", "sidechain_GLN": null, - "ome": -176.547878404277, + "ome": -178.908989699803, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.263930348158, - "L4": 1.51522318468007, - "L5": 1.24499300384724, - "L2": 1.45274420971259, - "L3": null, - "a7": 122.54077828691, - "L1": 1.33061891805085, + "a1": 120.989050198006, + "L4": 1.52900703246112, + "L5": 1.23208995550367, + "L2": 1.44867611880615, + "L3": 1.51774437313557, + "a7": 122.949202159266, + "L1": 1.32298357037991, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.126328283668, - "bs": 0.0, - "a2": null, - "a5": 121.498219878299, + "ss": "T", + "a3": 111.287211082126, + "bs": 62.0, + "a2": 109.736878001085, + "a5": 120.472791685977, "sidechain_LEU": null, - "chainIndex": 429, + "chainIndex": 420, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.179990273527 } }, { - "pk": 1154, + "pk": 1153, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.842886925854, - "psi": -43.8199013084167, - "oldID": "208", - "bg": 62.12, + "a6": 115.137721323204, + "psi": 32.9625143774909, + "oldID": "422", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4831280069515, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1156, + "next": 1154, "sidechain_SER": null, - "bm": 64.0, + "bm": 63.0, "xpr": false, "prev": 1152, "terminal_flag": false, - "phi": -53.0686984404211, + "phi": -99.8014150407856, "chainID": "A", "sidechain_GLN": null, - "ome": -178.911487215715, - "chi2": 165.983073911316, + "ome": -178.836237627276, + "chi2": null, "chi3": null, - "chi1": -174.447894689405, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.11388385066, - "L4": 1.52460238805152, - "L5": 1.2296672613653, - "L2": 1.45618509868767, - "L3": 1.52719787706887, - "a7": 122.62196178364, - "L1": 1.32720034681935, + "a1": 120.966378958242, + "L4": 1.51197390616129, + "L5": 1.23117861082796, + "L2": 1.45745606995699, + "L3": null, + "a7": 123.376064454435, + "L1": 1.33248796030896, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.499912570777, - "bs": 61.0, - "a2": 109.60925670079, - "a5": 120.534957611724, - "sidechain_LEU": 96, - "chainIndex": 207, + "ss": "T", + "a3": 113.927834925782, + "bs": 0.0, + "a2": null, + "a5": 121.473158216533, + "sidechain_LEU": null, + "chainIndex": 421, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.753247834016 + "a4": null } }, { - "pk": 1155, + "pk": 1154, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.692579958168, - "psi": 150.965865548231, - "oldID": "431", - "bg": 15.62, + "chain": "1TWFA", + "sidechain_ASP": 76, + "a6": 116.880621899126, + "psi": 56.4546400686395, + "oldID": "423", + "bg": 72.53, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9484541412666, + "protein": "1TWF", + "zeta": 35.7645929627836, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 59, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1157, + "next": 1155, "sidechain_SER": null, - "bm": 14.0, + "bm": 67.0, "xpr": false, "prev": 1153, "terminal_flag": false, - "phi": -78.3947757142241, + "phi": -150.530730539339, "chainID": "A", "sidechain_GLN": null, - "ome": -179.793984123261, - "chi2": null, + "ome": -179.262373812138, + "chi2": 68.2045072498136, "chi3": null, - "chi1": 42.5420340077026, + "chi1": 175.523343101171, "chi4": null, "chi5": null, - "a1": 119.683119733937, - "L4": 1.52700168193845, - "L5": 1.24186041368254, - "L2": 1.4515914085012, - "L3": 1.53784531591968, - "a7": 122.994234083131, - "L1": 1.32931364059576, + "a1": 122.033522257558, + "L4": 1.53001080869026, + "L5": 1.23395625402388, + "L2": 1.4487556854375, + "L3": 1.52984108035597, + "a7": 122.330352355146, + "L1": 1.32438027104191, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.906200603449, - "bs": 15.0, - "a2": 112.01309103271, - "a5": 121.312966221408, + "a3": 110.174340108343, + "bs": 72.0, + "a2": 108.481416710909, + "a5": 120.788636061616, "sidechain_LEU": null, - "chainIndex": 430, + "chainIndex": 422, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.440868147423 + "a4": 110.103682094609 } }, { - "pk": 1156, + "pk": 1155, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "i", "sidechain_PRO": null, - "sidechain_ASN": 45, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.542154061688, - "psi": -24.1839871086525, - "oldID": "209", - "bg": 71.64, + "a6": 116.312958845287, + "psi": 140.788074937575, + "oldID": "424", + "bg": 65.49, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 64, "protein": "1TWF", - "zeta": 33.1106556715408, + "zeta": 34.7130080235814, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1158, + "next": 1156, "sidechain_SER": null, - "bm": 66.0, + "bm": 67.0, "xpr": false, "prev": 1154, "terminal_flag": false, - "phi": -75.7672766545364, + "phi": -121.364608122852, "chainID": "A", "sidechain_GLN": null, - "ome": 178.334773925192, - "chi2": -78.9159063073204, + "ome": 179.4968194277, + "chi2": 179.583250683126, "chi3": null, - "chi1": -127.170550211889, + "chi1": -60.5251928945767, "chi4": null, "chi5": null, - "a1": 120.441167093936, - "L4": 1.52280627135546, - "L5": 1.23118911570397, - "L2": 1.45223910027402, - "L3": 1.53269109147105, - "a7": 122.684020886402, - "L1": 1.3263249458622, + "a1": 120.802522953327, + "L4": 1.51990437695896, + "L5": 1.22772895985442, + "L2": 1.45952999636506, + "L3": 1.53842521121811, + "a7": 122.873630731975, + "L1": 1.33026012054612, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.931766359761, - "bs": 71.0, - "a2": 109.963504073855, - "a5": 120.773624094791, + "ss": "-", + "a3": 113.126684869545, + "bs": 65.0, + "a2": 110.981002419919, + "a5": 120.813162207148, "sidechain_LEU": null, - "chainIndex": 208, + "chainIndex": 423, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.158174558704 + "a4": 108.298092756574 } }, { - "pk": 1157, + "pk": 1156, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.453657213993, - "psi": 147.425461181104, - "oldID": "432", - "bg": 0.0, + "a6": 116.361204152335, + "psi": 96.9949649350842, + "oldID": "425", + "bg": 74.45, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1419712777534, + "protein": "1TWF", + "zeta": 34.7915485269083, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1159, + "next": 1157, "sidechain_SER": null, - "bm": 13.0, + "bm": 66.0, "xpr": false, "prev": 1155, "terminal_flag": false, - "phi": -61.850070807265, + "phi": -114.439217078359, "chainID": "A", - "sidechain_GLN": null, - "ome": 177.492737216807, - "chi2": null, - "chi3": null, - "chi1": null, + "sidechain_GLN": 47, + "ome": -179.021663730452, + "chi2": 174.377628099356, + "chi3": 59.3521961047099, + "chi1": -60.7488677655498, "chi4": null, "chi5": null, - "a1": 121.335503257241, - "L4": 1.53300415879652, - "L5": 1.22198565652146, - "L2": 1.44719673601748, - "L3": 1.55763963592736, - "a7": 123.294264233119, - "L1": 1.32662322310368, + "a1": 121.226261892441, + "L4": 1.51824193127815, + "L5": 1.22571059257765, + "L2": 1.45521936656727, + "L3": 1.52523549109125, + "a7": 122.726991038575, + "L1": 1.32761300788758, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 111.299408194907, - "bs": 13.0, - "a2": 110.555017683197, - "a5": 120.249594302734, + "a3": 109.425292142663, + "bs": 76.0, + "a2": 109.959956219832, + "a5": 120.911802843972, "sidechain_LEU": null, - "chainIndex": 431, + "chainIndex": 424, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.331456057995 + "a4": 110.216405992059 } }, { - "pk": 1158, + "pk": 1157, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.743344451247, - "psi": -33.9505933226359, - "oldID": "210", - "bg": 65.93, + "a6": 116.020169678921, + "psi": 138.380598828581, + "oldID": "426", + "bg": 62.29, "sidechain_CYS": null, - "sidechain_ILE": 63, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7537142900106, + "zeta": 34.6228467896784, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1160, + "next": 1158, "sidechain_SER": null, "bm": 63.0, "xpr": false, "prev": 1156, "terminal_flag": false, - "phi": -79.4060318792115, + "phi": -56.6159828067368, "chainID": "A", "sidechain_GLN": null, - "ome": 179.390798079547, - "chi2": 161.610907283874, + "ome": 178.94397180159, + "chi2": 170.327435053678, "chi3": null, - "chi1": -73.4585320767029, + "chi1": -55.6669153855131, "chi4": null, "chi5": null, - "a1": 120.925722209941, - "L4": 1.52307072303085, - "L5": 1.2337631797928, - "L2": 1.45782885632215, - "L3": 1.53313869877137, - "a7": 123.211065517056, - "L1": 1.32719845247507, + "a1": 121.048271985635, + "L4": 1.51754662842033, + "L5": 1.23017575152825, + "L2": 1.45443623690618, + "L3": 1.5285431535246, + "a7": 123.210918460724, + "L1": 1.32666737990963, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.556227542977, - "bs": 65.0, - "a2": 110.868052369657, - "a5": 121.035107312094, - "sidechain_LEU": null, - "chainIndex": 209, + "ss": "-", + "a3": 112.230168929185, + "bs": 61.0, + "a2": 109.947239935507, + "a5": 120.768805394564, + "sidechain_LEU": 96, + "chainIndex": 425, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.921698579666 + "a4": 109.688602894671 } }, { - "pk": 1159, + "pk": 1158, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.133616195061, - "psi": 159.013463359362, - "oldID": "433", - "bg": 14.73, + "a6": 116.429012816084, + "psi": 145.047901293986, + "oldID": "427", + "bg": 69.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9663092482635, + "protein": "1TWF", + "zeta": 34.5771486664624, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1161, + "next": 1159, "sidechain_SER": null, - "bm": 14.0, + "bm": 64.0, "xpr": false, "prev": 1157, "terminal_flag": false, - "phi": -130.360797167513, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.841288223691, - "chi2": -73.7754123071458, - "chi3": -177.979510121014, - "chi1": -72.9189058375871, - "chi4": 161.037815729972, - "chi5": -0.305081734370829, - "a1": 123.786996385254, - "L4": 1.52338533919599, - "L5": 1.20933767140926, - "L2": 1.46469966302548, - "L3": 1.54279306855457, - "a7": 122.507119575548, - "L1": 1.33975366644769, - "sidechain_ARG": 58, + "phi": -116.783738989493, + "chainID": "A", + "sidechain_GLN": 48, + "ome": 179.487892790306, + "chi2": -96.5044478531522, + "chi3": 45.5250887272266, + "chi1": -70.2406777219026, + "chi4": null, + "chi5": null, + "a1": 121.584998768979, + "L4": 1.52300608279005, + "L5": 1.23337129389853, + "L2": 1.46103980234863, + "L3": 1.53635232002704, + "a7": 122.742911407934, + "L1": 1.33030502364737, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 108.967732040058, - "bs": 14.0, - "a2": 111.258493571349, - "a5": 120.352883158964, + "ss": "-", + "a3": 109.090543193294, + "bs": 70.0, + "a2": 110.798404805864, + "a5": 120.823333658908, "sidechain_LEU": null, - "chainIndex": 432, + "chainIndex": 426, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.379594583161 + "a4": 109.851881093995 } }, { - "pk": 1160, + "pk": 1159, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.803807459423, - "psi": -25.9443500437349, - "oldID": "211", - "bg": 54.9, + "a6": 116.810841628399, + "psi": 135.516383190809, + "oldID": "428", + "bg": 66.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2752289681115, - "sidechain_PHE": 40, + "zeta": 34.9036045920229, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1162, + "next": 1160, "sidechain_SER": null, "bm": 61.0, "xpr": false, "prev": 1158, "terminal_flag": false, - "phi": -67.7009335213374, + "phi": -52.8559151045676, "chainID": "A", "sidechain_GLN": null, - "ome": 179.553818198401, - "chi2": 14.7402695220464, + "ome": -179.980511682015, + "chi2": -20.0261384026605, "chi3": null, - "chi1": -80.0975890736375, + "chi1": -70.0952419924758, "chi4": null, "chi5": null, - "a1": 121.538864939891, - "L4": 1.52238719638129, - "L5": 1.22806909549549, - "L2": 1.45479474871216, - "L3": 1.53788137268245, - "a7": 122.748533075416, - "L1": 1.32979628712138, + "a1": 121.003708184901, + "L4": 1.52181410770752, + "L5": 1.22956274783067, + "L2": 1.45651461117456, + "L3": 1.53336929870355, + "a7": 122.710197952995, + "L1": 1.32796052589831, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 29, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.552131476267, - "bs": 54.0, - "a2": 110.649097496254, - "a5": 120.444178481213, + "ss": "T", + "a3": 108.33746426602, + "bs": 68.0, + "a2": 110.223553487718, + "a5": 120.468976573886, "sidechain_LEU": null, - "chainIndex": 210, + "chainIndex": 427, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.377042015669 + "a4": 110.156231174822 } }, { - "pk": 1161, + "pk": 1160, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.282181864199, - "psi": -34.8835752445637, - "oldID": "434", + "a6": 117.616488375664, + "psi": -14.9930965722356, + "oldID": "429", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6888290312449, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1163, + "next": 1161, "sidechain_SER": null, - "bm": 15.0, + "bm": 56.0, "xpr": false, "prev": 1159, "terminal_flag": false, - "phi": -54.2734430937593, + "phi": 95.1833720727849, "chainID": "A", "sidechain_GLN": null, - "ome": -179.857342963645, + "ome": 178.838202173347, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.794504987742, - "L4": 1.51902286876711, - "L5": 1.23363928420178, - "L2": 1.46230608701472, - "L3": 1.51455995942649, - "a7": 122.852973391737, - "L1": 1.3287229150218, + "a1": 119.686000459864, + "L4": 1.51731708474451, + "L5": 1.22220065840643, + "L2": 1.44874952958658, + "L3": null, + "a7": 122.0505247023, + "L1": 1.32888402383763, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 115.25973629617, - "bs": 13.0, - "a2": 110.474665975055, - "a5": 119.864844267918, + "a3": 112.972945326904, + "bs": 0.0, + "a2": null, + "a5": 120.326220828516, "sidechain_LEU": null, - "chainIndex": 433, + "chainIndex": 428, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.467261152415 + "a4": null } }, { - "pk": 1162, + "pk": 1161, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.198962385616, - "psi": -13.3909021500011, - "oldID": "212", - "bg": 62.94, + "a6": 116.114772235184, + "psi": 166.969326172185, + "oldID": "430", + "bg": 54.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1746245347407, + "zeta": 34.9479531806891, "sidechain_PHE": null, - "sidechain_LYS": 75, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1164, + "sidechain_TRP": 8, + "next": 1162, "sidechain_SER": null, - "bm": 65.0, + "bm": 53.0, "xpr": false, "prev": 1160, "terminal_flag": false, - "phi": -78.0952297446342, + "phi": -76.7687739785704, "chainID": "A", "sidechain_GLN": null, - "ome": 179.280691662091, - "chi2": -166.311917447738, - "chi3": 173.270851656485, - "chi1": -68.9505335169651, - "chi4": -176.902586913975, + "ome": 179.788515856747, + "chi2": 15.8261133950517, + "chi3": null, + "chi1": -80.0076994405409, + "chi4": null, "chi5": null, - "a1": 121.173999310379, - "L4": 1.52491532567894, - "L5": 1.23093422946637, - "L2": 1.45676108981852, - "L3": 1.53232909711252, - "a7": 122.742369509762, - "L1": 1.32933378695507, + "a1": 120.227434986271, + "L4": 1.51611475293332, + "L5": 1.2321991259931, + "L2": 1.45577926066377, + "L3": 1.52187432755837, + "a7": 123.155257097196, + "L1": 1.32757904438606, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.503509405947, - "bs": 64.0, - "a2": 110.923633737334, - "a5": 120.057267826854, + "ss": "-", + "a3": 109.254795585087, + "bs": 55.0, + "a2": 110.840924914768, + "a5": 120.72978570998, "sidechain_LEU": null, - "chainIndex": 211, + "chainIndex": 429, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.219089940385 + "a4": 109.103575228827 } }, { - "pk": 1163, + "pk": 1162, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.77150170113, - "psi": 10.7498747423271, - "oldID": "435", - "bg": 23.17, + "a6": 115.755094050767, + "psi": 144.065625841834, + "oldID": "431", + "bg": 57.07, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8601108892575, + "protein": "1TWF", + "zeta": 34.7508302135924, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 69, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1165, - "sidechain_SER": 51, - "bm": 18.0, + "next": 1163, + "sidechain_SER": null, + "bm": 50.0, "xpr": false, "prev": 1161, "terminal_flag": false, - "phi": -81.88654762173, + "phi": -116.747794196494, "chainID": "A", "sidechain_GLN": null, - "ome": 175.126721401373, - "chi2": null, - "chi3": null, - "chi1": 47.6870355397766, - "chi4": null, + "ome": 179.373788680811, + "chi2": 170.494104349119, + "chi3": 179.448507414364, + "chi1": -78.9140912746005, + "chi4": 174.623510650704, "chi5": null, - "a1": 120.98939317985, - "L4": 1.52620095024955, - "L5": 1.21946091621116, - "L2": 1.46235596504793, - "L3": 1.54129318287322, - "a7": 122.808644630357, - "L1": 1.32597790550172, + "a1": 121.313732775588, + "L4": 1.51216445135586, + "L5": 1.23027958023826, + "L2": 1.4532870301589, + "L3": 1.52547082043585, + "a7": 123.107787017236, + "L1": 1.32658637208299, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.340894653107, - "bs": 21.0, - "a2": 111.388512679458, - "a5": 119.398928843419, + "ss": "E", + "a3": 112.024121889985, + "bs": 59.0, + "a2": 110.599660518632, + "a5": 121.137117058658, "sidechain_LEU": null, - "chainIndex": 434, + "chainIndex": 430, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.905665234483 + "a4": 108.914226364394 } }, { - "pk": 1164, + "pk": 1163, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.278734967066, - "psi": 0.15675187801954, - "oldID": "213", - "bg": 72.43, + "a6": 116.373880464632, + "psi": 113.77942918908, + "oldID": "432", + "bg": 39.77, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6536353146053, + "zeta": 35.3019365198402, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 86, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1166, + "next": 1164, "sidechain_SER": null, - "bm": 68.0, + "bm": 42.0, "xpr": false, "prev": 1162, "terminal_flag": false, - "phi": -97.376573626976, + "phi": -131.070843528924, "chainID": "A", "sidechain_GLN": null, - "ome": 179.563226552837, + "ome": 178.467982374386, "chi2": null, "chi3": null, - "chi1": -88.3231736918214, + "chi1": 178.518213220712, "chi4": null, "chi5": null, - "a1": 121.571746607904, - "L4": 1.52022044810095, - "L5": 1.23318238877077, - "L2": 1.46706814643957, - "L3": 1.53459441398804, - "a7": 123.501397188797, - "L1": 1.3325479999679, + "a1": 120.917694050065, + "L4": 1.50379233771183, + "L5": 1.22430845632579, + "L2": 1.45331503848171, + "L3": 1.53474705826978, + "a7": 122.876631836208, + "L1": 1.32551209625763, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.33986778068, - "bs": 73.0, - "a2": 111.398284977741, - "a5": 120.200982216812, + "ss": "E", + "a3": 109.374775019086, + "bs": 41.0, + "a2": 112.247740569242, + "a5": 120.745871315547, "sidechain_LEU": null, - "chainIndex": 212, - "sidechain_HIS": 42, + "chainIndex": 431, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.111695494595 + "a4": 107.354987482045 } }, { - "pk": 1165, + "pk": 1164, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.31888408036, - "psi": 79.4532919310063, - "oldID": "436", - "bg": 18.86, + "a6": 115.340591512073, + "psi": 89.8687948401555, + "oldID": "433", + "bg": 39.28, "sidechain_CYS": null, - "sidechain_ILE": 64, - "protein": "1H0H", - "zeta": 35.2642720405698, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.1049218808203, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1167, + "next": 1165, "sidechain_SER": null, - "bm": 17.0, + "bm": 39.0, "xpr": false, "prev": 1163, "terminal_flag": false, - "phi": -119.31063292443, + "phi": -81.5386378615497, "chainID": "A", "sidechain_GLN": null, - "ome": -169.002612583435, - "chi2": 172.45920012532, - "chi3": null, - "chi1": -41.907547465253, + "ome": -179.204087632575, + "chi2": 160.772061313416, + "chi3": 49.1688785402371, + "chi1": -93.9234843431156, "chi4": null, "chi5": null, - "a1": 122.305882787046, - "L4": 1.52925354334163, - "L5": 1.24296713333905, - "L2": 1.46000098495877, - "L3": 1.52307765513424, - "a7": 122.514937206797, - "L1": 1.33365014261316, + "a1": 118.906503335948, + "L4": 1.51888822987998, + "L5": 1.22233126338293, + "L2": 1.44322779147151, + "L3": 1.50826660673561, + "a7": 123.489383410957, + "L1": 1.31939638191059, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 93, "omep": null, - "ss": "-", - "a3": 109.298730637912, - "bs": 18.0, - "a2": 111.048362978937, - "a5": 121.064306560262, + "ss": "E", + "a3": 110.043911897388, + "bs": 40.0, + "a2": 110.073442572958, + "a5": 121.162234327954, "sidechain_LEU": null, - "chainIndex": 435, + "chainIndex": 432, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.305202513042 + "a4": 110.794161366972 } }, { - "pk": 1166, + "pk": 1165, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.22165401169, - "psi": 124.34307049996, - "oldID": "214", - "bg": 65.6, + "a6": 115.798160296005, + "psi": 157.920062126947, + "oldID": "434", + "bg": 39.42, "sidechain_CYS": null, - "sidechain_ILE": 65, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9199058626524, + "zeta": 36.2211500089209, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1168, + "next": 1166, "sidechain_SER": null, - "bm": 64.0, + "bm": 37.0, "xpr": false, "prev": 1164, "terminal_flag": false, - "phi": -82.6434166367096, + "phi": -89.2108181141198, "chainID": "A", "sidechain_GLN": null, - "ome": -179.552690703739, - "chi2": 174.989293663479, - "chi3": null, - "chi1": -62.5071897800141, - "chi4": null, - "chi5": null, - "a1": 121.906462899334, - "L4": 1.5196298117983, - "L5": 1.23513208952165, - "L2": 1.46270314054691, - "L3": 1.54137135600619, - "a7": 123.921568167886, - "L1": 1.33249002808349, - "sidechain_ARG": null, + "ome": 179.181446755871, + "chi2": 155.626500115846, + "chi3": -74.5764262744238, + "chi1": 42.8163432341173, + "chi4": -121.434219340415, + "chi5": -0.331744160412317, + "a1": 122.903186375032, + "L4": 1.52686717244979, + "L5": 1.23033481352175, + "L2": 1.45359238690884, + "L3": 1.51801201674186, + "a7": 123.300031907143, + "L1": 1.32728120672911, + "sidechain_ARG": 63, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.37294483868, - "bs": 65.0, - "a2": 112.441103440587, - "a5": 120.855452930747, + "ss": "E", + "a3": 111.903083617439, + "bs": 42.0, + "a2": 108.803049836478, + "a5": 120.893644965692, "sidechain_LEU": null, - "chainIndex": 213, + "chainIndex": 433, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.924235200275 + "a4": 108.507457424601 } }, { - "pk": 1167, + "pk": 1166, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 54, + "aa": "h", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.886460627586, - "psi": -22.9800190877825, - "oldID": "437", - "bg": 20.24, + "a6": 118.281647514244, + "psi": 154.471706384059, + "oldID": "435", + "bg": 39.7, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.3320605811986, + "protein": "1TWF", + "zeta": 36.3418628591743, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1169, + "next": 1167, "sidechain_SER": null, - "bm": 18.0, + "bm": 34.0, "xpr": false, "prev": 1165, "terminal_flag": false, - "phi": -73.7152502196462, + "phi": -68.5004478494997, "chainID": "A", "sidechain_GLN": null, - "ome": -177.290090317894, - "chi2": 13.4601196223359, - "chi3": -21.8311848132956, - "chi1": 0.842365245378344, - "chi4": 23.0154885702933, + "ome": 177.568698587839, + "chi2": null, + "chi3": null, + "chi1": -58.2064652564095, + "chi4": null, "chi5": null, - "a1": 121.692323229186, - "L4": 1.50060112427045, - "L5": 1.24207328270462, - "L2": 1.46296170978875, - "L3": 1.53572900952701, - "a7": 123.994069099653, - "L1": 1.3273273265291, + "a1": 122.744622250345, + "L4": 1.5262052340523, + "L5": 1.22650459676796, + "L2": 1.45261003913041, + "L3": 1.53405268372607, + "a7": 121.438775385098, + "L1": 1.32737284531226, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 14.9939851069423, - "ss": "-", - "a3": 117.386821276462, - "bs": 19.0, - "a2": 103.587090582186, - "a5": 118.065233897682, + "omep": null, + "ss": "E", + "a3": 109.374067151884, + "bs": 41.0, + "a2": 109.263209781296, + "a5": 120.279574613119, "sidechain_LEU": null, - "chainIndex": 436, - "sidechain_HIS": null, + "chainIndex": 434, + "sidechain_HIS": 44, "h_bond_energy": 0.0, - "a4": 107.209821567048 + "a4": 108.704485605902 } }, { - "pk": 1168, + "pk": 1167, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.57834544799, - "psi": 164.85059413874, - "oldID": "215", - "bg": 53.17, + "a6": 116.111476261284, + "psi": 148.088584368095, + "oldID": "436", + "bg": 33.44, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 65, "protein": "1TWF", - "zeta": 35.1749958351665, + "zeta": 33.6217209892337, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1170, - "sidechain_SER": 52, - "bm": 60.0, + "next": 1168, + "sidechain_SER": null, + "bm": 33.0, "xpr": false, "prev": 1166, "terminal_flag": false, - "phi": -62.5743543783001, + "phi": -65.0917509190876, "chainID": "A", "sidechain_GLN": null, - "ome": 179.360788330376, - "chi2": null, + "ome": -178.102729635294, + "chi2": 163.12087977427, "chi3": null, - "chi1": 61.8708164871008, + "chi1": 52.1147565254201, "chi4": null, "chi5": null, - "a1": 123.230570395789, - "L4": 1.52346476954956, - "L5": 1.23268345696696, - "L2": 1.45923462734204, - "L3": 1.53083262998451, - "a7": 122.864301984643, - "L1": 1.33078290477809, + "a1": 117.413889891568, + "L4": 1.52677103888571, + "L5": 1.23163941718899, + "L2": 1.45443911354608, + "L3": 1.53922026880385, + "a7": 123.408717753437, + "L1": 1.32584542256465, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 113.120318699005, - "bs": 56.0, - "a2": 110.044785942027, - "a5": 121.555260777681, + "a3": 105.889408296685, + "bs": 31.0, + "a2": 112.620180669991, + "a5": 120.457351346959, "sidechain_LEU": null, - "chainIndex": 214, + "chainIndex": 435, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.515991527293 + "a4": 110.444775142371 } }, { - "pk": 1169, + "pk": 1168, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.570603884515, - "psi": 156.599968330843, - "oldID": "438", - "bg": 18.02, + "a6": 115.476298734857, + "psi": 172.481095250607, + "oldID": "437", + "bg": 42.13, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2936082337887, + "protein": "1TWF", + "zeta": 36.5297729080447, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 60, + "sidechain_MET": 27, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1171, + "next": 1169, "sidechain_SER": null, - "bm": 16.0, + "bm": 36.0, "xpr": false, "prev": 1167, "terminal_flag": false, - "phi": -129.981058596974, + "phi": -132.595324652869, "chainID": "A", "sidechain_GLN": null, - "ome": -179.464708211634, - "chi2": null, - "chi3": null, - "chi1": 66.855983726657, + "ome": 179.256157200113, + "chi2": -173.171232667357, + "chi3": -60.6129771215833, + "chi1": -51.9558399030843, "chi4": null, "chi5": null, - "a1": 120.696912266191, - "L4": 1.51268241310216, - "L5": 1.24272965422291, - "L2": 1.45597022895136, - "L3": 1.54651984335721, - "a7": 123.493099570049, - "L1": 1.32245397572047, + "a1": 123.909801097968, + "L4": 1.51088134370491, + "L5": 1.23444294124347, + "L2": 1.46194554713502, + "L3": 1.52923191868335, + "a7": 123.046570110068, + "L1": 1.33308218415814, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 113.579419236151, - "bs": 17.0, - "a2": 110.582562095925, - "a5": 121.876772236943, + "ss": "-", + "a3": 111.770985078998, + "bs": 43.0, + "a2": 110.602842568796, + "a5": 121.438891170572, "sidechain_LEU": null, - "chainIndex": 437, + "chainIndex": 436, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.921959137178 + "a4": 106.442448168453 } }, { - "pk": 1170, + "pk": 1169, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.853566275668, - "psi": -40.3274211875856, - "oldID": "216", - "bg": 60.05, + "sidechain_ASP": 77, + "a6": 114.25225282376, + "psi": 136.605132519379, + "oldID": "438", + "bg": 27.37, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9968516377723, + "zeta": 33.3689756522902, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 85, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1172, + "next": 1170, "sidechain_SER": null, - "bm": 61.0, + "bm": 27.0, "xpr": false, "prev": 1168, "terminal_flag": false, - "phi": -66.4705722615165, + "phi": -48.8166534669561, "chainID": "A", "sidechain_GLN": null, - "ome": 179.615576940682, - "chi2": null, + "ome": 179.157608496974, + "chi2": 11.3635697353355, "chi3": null, - "chi1": -171.46200564805, + "chi1": -78.9085327991174, "chi4": null, "chi5": null, - "a1": 120.459354095956, - "L4": 1.51788715162134, - "L5": 1.23043477186172, - "L2": 1.45010759686616, - "L3": 1.51678895063714, - "a7": 123.633501367319, - "L1": 1.32691543371761, + "a1": 120.46043440811, + "L4": 1.52717805932334, + "L5": 1.23039527022894, + "L2": 1.4455372908721, + "L3": 1.52891655136517, + "a7": 123.891133941007, + "L1": 1.32478206695804, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.805367856879, - "bs": 59.0, - "a2": 111.763100999612, - "a5": 120.512742581163, + "ss": "T", + "a3": 113.455879996326, + "bs": 27.0, + "a2": 109.729076910024, + "a5": 121.812261981241, "sidechain_LEU": null, - "chainIndex": 215, + "chainIndex": 437, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.892152502961 + "a4": 111.206568229416 } }, { - "pk": 1171, + "pk": 1170, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 41, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.233647117653, - "psi": -35.453128972953, + "a6": 117.955709940331, + "psi": 24.7515042832307, "oldID": "439", - "bg": 16.41, + "bg": 31.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6145982464532, + "protein": "1TWF", + "zeta": 32.4741297931733, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1173, + "next": 1171, "sidechain_SER": null, - "bm": 16.0, + "bm": 29.0, "xpr": false, "prev": 1169, "terminal_flag": false, - "phi": -59.8131867105295, + "phi": 68.9834711807199, "chainID": "A", "sidechain_GLN": null, - "ome": -178.951802697811, - "chi2": 62.7430213455062, + "ome": 176.909070022574, + "chi2": -45.9729581616316, "chi3": null, - "chi1": -175.032281655121, + "chi1": -65.2723152493433, "chi4": null, "chi5": null, - "a1": 121.128693197988, - "L4": 1.50733229571382, - "L5": 1.22659672189488, - "L2": 1.45131574446722, - "L3": 1.53360599557357, - "a7": 123.35594068967, - "L1": 1.32181780595691, + "a1": 123.360600767349, + "L4": 1.54372955047737, + "L5": 1.22120317063924, + "L2": 1.4523116665887, + "L3": 1.53123181119179, + "a7": 121.589489909227, + "L1": 1.32768796663159, "sidechain_ARG": null, - "sidechain_TYR": 38, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.199614333784, - "bs": 16.0, - "a2": 110.711494944982, - "a5": 119.389301792995, + "ss": "T", + "a3": 118.051141361107, + "bs": 29.0, + "a2": 108.576484685884, + "a5": 120.454687869774, "sidechain_LEU": null, "chainIndex": 438, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.09665672183 + "a4": 111.604035035982 } }, { - "pk": 1172, + "pk": 1171, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.009544415572, - "psi": -33.304044664684, - "oldID": "217", - "bg": 70.03, + "sidechain_ASP": 78, + "a6": 116.767291455395, + "psi": 137.875391581315, + "oldID": "440", + "bg": 32.67, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2450535669554, + "zeta": 35.6567588897456, "sidechain_PHE": null, - "sidechain_LYS": 76, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1174, + "next": 1172, "sidechain_SER": null, - "bm": 62.0, + "bm": 30.0, "xpr": false, "prev": 1170, "terminal_flag": false, - "phi": -60.5356052893516, + "phi": -91.3402475022073, "chainID": "A", "sidechain_GLN": null, - "ome": -179.776319820855, - "chi2": -174.565852802609, - "chi3": 176.714409285083, - "chi1": -77.2856029372458, - "chi4": 179.366161137716, + "ome": 179.653424969532, + "chi2": -49.4965038442898, + "chi3": null, + "chi1": -81.2328350810732, + "chi4": null, "chi5": null, - "a1": 122.167961172565, - "L4": 1.5263018563318, - "L5": 1.23308956869758, - "L2": 1.46254129611879, - "L3": 1.54021964419714, - "a7": 123.108902708508, - "L1": 1.33415608867155, + "a1": 119.434407971412, + "L4": 1.5101565155001, + "L5": 1.23096456910432, + "L2": 1.46090822557992, + "L3": 1.52650245648906, + "a7": 122.387859785187, + "L1": 1.33052295949773, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.024541730503, - "bs": 71.0, - "a2": 110.862168032103, - "a5": 120.875920522829, + "ss": "-", + "a3": 104.729841680422, + "bs": 31.0, + "a2": 113.648823484636, + "a5": 120.843593020733, "sidechain_LEU": null, - "chainIndex": 216, + "chainIndex": 439, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.70487404641 + "a4": 106.233643974349 } }, { - "pk": 1173, + "pk": 1172, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 70, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.553542519358, - "psi": -37.6385740412353, - "oldID": "440", - "bg": 22.51, + "a6": 116.493178789531, + "psi": 123.110459885215, + "oldID": "441", + "bg": 30.92, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6795295002164, + "protein": "1TWF", + "zeta": 38.1495316695246, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1175, + "next": 1173, "sidechain_SER": null, - "bm": 17.0, + "bm": 27.0, "xpr": false, "prev": 1171, "terminal_flag": false, - "phi": -66.6355322231273, + "phi": -70.5100477796271, "chainID": "A", "sidechain_GLN": null, - "ome": 177.960442207547, - "chi2": -61.2381372754034, - "chi3": -83.3671645934726, - "chi1": -149.514762830095, - "chi4": null, + "ome": 178.698769440524, + "chi2": -43.6830971405453, + "chi3": 34.9420174556842, + "chi1": 34.6792175098054, + "chi4": -12.9658238719507, "chi5": null, - "a1": 120.919357122762, - "L4": 1.51855866158635, - "L5": 1.21799838864967, - "L2": 1.45450619261619, - "L3": 1.53449262160721, - "a7": 122.248954437973, - "L1": 1.34251432823345, + "a1": 121.165438712096, + "L4": 1.51646063393886, + "L5": 1.21952133019388, + "L2": 1.4625816525151, + "L3": 1.51688688388323, + "a7": 122.500074763061, + "L1": 1.33113310223943, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 93, - "omep": null, - "ss": "H", - "a3": 109.400688100392, - "bs": 23.0, - "a2": 111.292407800787, - "a5": 121.197008655216, + "sidechain_GLU": null, + "omep": 3.41202149908635, + "ss": "E", + "a3": 109.885075845783, + "bs": 29.0, + "a2": 102.817897957492, + "a5": 120.992912450871, "sidechain_LEU": null, - "chainIndex": 439, + "chainIndex": 440, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.625789260924 + "a4": 111.990490884251 } }, { - "pk": 1174, + "pk": 1173, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 68, - "a6": 118.225802901986, - "psi": -55.1708382549321, - "oldID": "218", - "bg": 66.85, + "sidechain_ASP": null, + "a6": 115.127416167117, + "psi": 139.06519927419, + "oldID": "442", + "bg": 30.95, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.8811782702964, + "zeta": 34.0310132644485, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 87, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1176, + "next": 1174, "sidechain_SER": null, - "bm": 62.0, + "bm": 27.0, "xpr": false, "prev": 1172, "terminal_flag": false, - "phi": -74.9951287228451, + "phi": -134.618953281381, "chainID": "A", "sidechain_GLN": null, - "ome": -179.002745524246, - "chi2": -1.79544817100405, + "ome": 179.93174992616, + "chi2": null, "chi3": null, - "chi1": -78.1079847275966, + "chi1": -77.8412756150648, "chi4": null, "chi5": null, - "a1": 121.827905569179, - "L4": 1.52401929906609, - "L5": 1.23072650351276, - "L2": 1.45674600339126, - "L3": 1.53741207264675, - "a7": 121.746993936497, - "L1": 1.33077774242405, + "a1": 120.285347558293, + "L4": 1.51102782218248, + "L5": 1.23071188999137, + "L2": 1.44518737325837, + "L3": 1.5328098906011, + "a7": 122.999416320867, + "L1": 1.31787432746364, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.358987218676, - "bs": 66.0, - "a2": 110.655615380853, - "a5": 120.027202675764, + "ss": "E", + "a3": 110.018319911358, + "bs": 29.0, + "a2": 111.982314941678, + "a5": 121.846842430435, "sidechain_LEU": null, - "chainIndex": 217, + "chainIndex": 441, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.313196399417 + "a4": 109.298958112758 } }, { - "pk": 1175, + "pk": 1174, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.751638044564, - "psi": -34.4152738317259, - "oldID": "441", - "bg": 22.02, + "a6": 115.677902527106, + "psi": 136.796218876967, + "oldID": "443", + "bg": 30.31, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2320136033187, + "protein": "1TWF", + "zeta": 35.641865646029, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1178, + "next": 1175, "sidechain_SER": null, - "bm": 16.0, + "bm": 26.0, "xpr": false, "prev": 1173, "terminal_flag": false, - "phi": -70.9311118430926, + "phi": -78.9830732738526, "chainID": "A", "sidechain_GLN": null, - "ome": 178.306741135394, - "chi2": 163.551092638581, - "chi3": -70.616849048272, - "chi1": -78.8065983398146, + "ome": 179.268576251365, + "chi2": 56.3472739199355, + "chi3": null, + "chi1": -159.143547662012, "chi4": null, "chi5": null, - "a1": 119.691572147306, - "L4": 1.51137346186666, - "L5": 1.24164926618452, - "L2": 1.44688865612334, - "L3": 1.51449112092047, - "a7": 123.53876940355, - "L1": 1.32150828036566, + "a1": 121.278591781576, + "L4": 1.52458103924215, + "L5": 1.23803671097237, + "L2": 1.44037541601412, + "L3": 1.52880062540586, + "a7": 124.027498087619, + "L1": 1.31915548643607, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 94, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.152649790297, - "bs": 22.0, - "a2": 109.631789213925, - "a5": 120.702380244523, - "sidechain_LEU": null, - "chainIndex": 440, + "ss": "E", + "a3": 105.83069918399, + "bs": 29.0, + "a2": 108.638769059459, + "a5": 120.265354850129, + "sidechain_LEU": 97, + "chainIndex": 442, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.383760379173 + "a4": 111.273069696866 } }, { - "pk": 1176, + "pk": 1175, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -134513,3293 +122348,3293 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.743069887384, - "psi": -9.85381506625605, - "oldID": "219", - "bg": 61.16, + "a6": 116.000914816532, + "psi": 126.940334236005, + "oldID": "444", + "bg": 25.26, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 32.4081955118912, - "sidechain_PHE": 41, + "zeta": 34.3853041844041, + "sidechain_PHE": 47, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1177, + "next": 1176, "sidechain_SER": null, - "bm": 60.0, + "bm": 22.0, "xpr": false, "prev": 1174, "terminal_flag": false, - "phi": -72.4818228166616, + "phi": -127.068389930543, "chainID": "A", "sidechain_GLN": null, - "ome": 177.823301512703, - "chi2": 60.2311880866086, + "ome": -176.853342413412, + "chi2": 44.4973679156966, "chi3": null, - "chi1": 62.2494221929061, + "chi1": -151.338038567218, "chi4": null, "chi5": null, - "a1": 118.069348074953, - "L4": 1.52428156875679, - "L5": 1.22416944533945, - "L2": 1.45448945403899, - "L3": 1.53554821697881, - "a7": 122.477689165155, - "L1": 1.32929780083864, + "a1": 124.183493507914, + "L4": 1.53581797308012, + "L5": 1.23594750885752, + "L2": 1.46505732872735, + "L3": 1.53508046410328, + "a7": 123.290489020369, + "L1": 1.33454205739147, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.653982951221, - "bs": 60.0, - "a2": 111.405679456718, - "a5": 120.77912110724, + "ss": "E", + "a3": 109.666549114017, + "bs": 25.0, + "a2": 110.8480757665, + "a5": 120.696693249758, "sidechain_LEU": null, - "chainIndex": 218, + "chainIndex": 443, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.123718213059 + "a4": 109.796883921643 } }, { - "pk": 1177, + "pk": 1176, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 42, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.491035564655, - "psi": -26.934099504198, - "oldID": "220", - "bg": 57.4, + "a6": 116.42361165769, + "psi": 135.341258653894, + "oldID": "445", + "bg": 25.67, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3758955743815, + "zeta": 35.7197372202188, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 61, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1179, + "next": 1177, "sidechain_SER": null, - "bm": 59.0, + "bm": 23.0, "xpr": false, - "prev": 1176, + "prev": 1175, "terminal_flag": false, - "phi": -86.7895338772406, + "phi": -135.098133260345, "chainID": "A", "sidechain_GLN": null, - "ome": 177.829662451469, - "chi2": null, + "ome": 176.582036860622, + "chi2": -137.175180364523, "chi3": null, - "chi1": -66.9629418333912, + "chi1": 170.736184475397, "chi4": null, "chi5": null, - "a1": 120.457431954306, - "L4": 1.52007345155032, - "L5": 1.22680294264644, - "L2": 1.44974348573219, - "L3": 1.52406741226825, - "a7": 123.363026821653, - "L1": 1.32519375536617, + "a1": 121.186272011297, + "L4": 1.53440720334166, + "L5": 1.22600103208501, + "L2": 1.45084945232384, + "L3": 1.53021032557777, + "a7": 122.124574984388, + "L1": 1.33241661904319, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 105.898113665658, - "bs": 57.0, - "a2": 111.330059246982, - "a5": 121.140923365201, + "ss": "E", + "a3": 119.455350350729, + "bs": 26.0, + "a2": 108.417674117356, + "a5": 121.43212970943, "sidechain_LEU": null, - "chainIndex": 219, + "chainIndex": 444, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.4425163852 + "a4": 107.416739629981 } }, { - "pk": 1178, + "pk": 1177, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.968562288852, - "psi": -52.2050973149598, - "oldID": "442", - "bg": 15.31, + "a6": 117.375077238254, + "psi": 113.343209882615, + "oldID": "446", + "bg": 33.17, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5629903024731, + "protein": "1TWF", + "zeta": 35.4361287621059, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1180, + "next": 1178, "sidechain_SER": null, - "bm": 15.0, + "bm": 19.0, "xpr": false, - "prev": 1175, + "prev": 1176, "terminal_flag": false, - "phi": -62.7886929174744, + "phi": -115.126809303873, "chainID": "A", "sidechain_GLN": null, - "ome": 179.890177477711, - "chi2": 84.0565009755803, - "chi3": null, - "chi1": 174.618880571634, - "chi4": null, - "chi5": null, - "a1": 120.69173656686, - "L4": 1.53329515450814, - "L5": 1.22973182533214, - "L2": 1.4497532923937, - "L3": 1.54059611247113, - "a7": 122.327859333049, - "L1": 1.32861644231738, - "sidechain_ARG": null, - "sidechain_TYR": 39, + "ome": 179.848710828951, + "chi2": 113.749485484323, + "chi3": -143.966916325045, + "chi1": 159.857323796893, + "chi4": -66.084838170386, + "chi5": 0.609474755253132, + "a1": 120.637347715141, + "L4": 1.52678514641128, + "L5": 1.21605765545414, + "L2": 1.44816222335543, + "L3": 1.51625660935414, + "a7": 122.208200694152, + "L1": 1.32377630109217, + "sidechain_ARG": 64, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.800437161299, - "bs": 15.0, - "a2": 111.233750006781, - "a5": 119.697608404464, + "ss": "-", + "a3": 107.421605022569, + "bs": 44.0, + "a2": 110.866398016507, + "a5": 120.411262999571, "sidechain_LEU": null, - "chainIndex": 441, + "chainIndex": 445, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.175512960582 + "a4": 108.711035018255 } }, { - "pk": 1179, + "pk": 1178, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.667794643988, - "psi": -26.4219042331885, - "oldID": "221", - "bg": 68.17, + "a6": 117.684294452058, + "psi": 155.660921070367, + "oldID": "447", + "bg": 25.43, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.6363680413042, + "zeta": 34.9778259289351, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1181, - "sidechain_SER": 53, - "bm": 60.0, + "next": 1179, + "sidechain_SER": null, + "bm": 20.0, "xpr": false, "prev": 1177, "terminal_flag": false, - "phi": -63.1881557459645, + "phi": -79.3308130309438, "chainID": "A", - "sidechain_GLN": null, - "ome": 177.851289252249, - "chi2": null, - "chi3": null, - "chi1": -144.320823162379, + "sidechain_GLN": 49, + "ome": -0.855133019049802, + "chi2": 168.395724923033, + "chi3": -52.4549493537349, + "chi1": -55.6839267279576, "chi4": null, "chi5": null, - "a1": 122.007726421148, - "L4": 1.51898144689386, - "L5": 1.22497795851487, - "L2": 1.45477049592101, - "L3": 1.52429362270565, - "a7": 123.455074973124, - "L1": 1.32847303599708, + "a1": 120.672060607521, + "L4": 1.52362913342426, + "L5": 1.22358560093472, + "L2": 1.45555831823614, + "L3": 1.52564328909401, + "a7": 121.894194679449, + "L1": 1.32193404838229, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 103.302740392571, - "bs": 65.0, - "a2": 109.793441804024, - "a5": 121.870733066179, + "ss": "S", + "a3": 107.885779387023, + "bs": 23.0, + "a2": 110.155016424791, + "a5": 120.17152740178, "sidechain_LEU": null, - "chainIndex": 220, + "chainIndex": 446, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.517842021608 + "a4": 110.126371543606 } }, { - "pk": 1180, + "pk": 1179, "model": "pgd_core.residue", "fields": { - "aa": "t", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 71, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.635919545712, - "psi": -34.2584855342511, - "oldID": "443", - "bg": 15.59, + "a6": 116.186545949633, + "psi": 142.256461300848, + "oldID": "448", + "bg": 16.09, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.7908902162365, + "protein": "1TWF", + "zeta": 37.2748395333639, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 62, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1182, + "next": 1180, "sidechain_SER": null, "bm": 17.0, "xpr": false, "prev": 1178, "terminal_flag": false, - "phi": -65.3278702103293, + "phi": -74.4554876069802, "chainID": "A", "sidechain_GLN": null, - "ome": 179.906273256291, - "chi2": null, - "chi3": null, - "chi1": 60.9958130454659, - "chi4": null, + "ome": 179.261242933256, + "chi2": -38.9012645204897, + "chi3": 30.1542323065996, + "chi1": 32.2893021281955, + "chi4": -9.81110746643181, "chi5": null, - "a1": 119.596846382235, - "L4": 1.52277227998704, - "L5": 1.22579555633452, - "L2": 1.46911222591934, - "L3": 1.56676144160941, - "a7": 122.106417246568, - "L1": 1.33551096352755, + "a1": 123.746958108515, + "L4": 1.54851702311351, + "L5": 1.23647464280826, + "L2": 1.45465559761673, + "L3": 1.53711496567546, + "a7": 123.230356223996, + "L1": 1.34084281728093, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.022406132116, - "bs": 15.0, - "a2": 114.020471143895, - "a5": 120.252818848725, + "omep": 178.139075404067, + "ss": "S", + "a3": 105.215882150758, + "bs": 17.0, + "a2": 102.486738738494, + "a5": 120.5745958208, "sidechain_LEU": null, - "chainIndex": 442, + "chainIndex": 447, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.77490590409 + "a4": 114.57212457184 } }, { - "pk": 1181, + "pk": 1180, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.631411150224, - "psi": 179.411086625433, - "oldID": "222", - "bg": 60.25, + "a6": 117.99529343794, + "psi": 87.7838738687728, + "oldID": "449", + "bg": 33.11, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2399393697817, + "zeta": 36.8838189788284, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1183, - "sidechain_SER": null, - "bm": 60.0, + "next": 1181, + "sidechain_SER": 53, + "bm": 28.0, "xpr": false, "prev": 1179, "terminal_flag": false, - "phi": -94.5813430781487, + "phi": -94.6330197830196, "chainID": "A", "sidechain_GLN": null, - "ome": -179.124688256932, - "chi2": 170.312864456515, + "ome": -179.360497195728, + "chi2": null, "chi3": null, - "chi1": -48.8503900137359, + "chi1": -27.0358562795218, "chi4": null, "chi5": null, - "a1": 122.892940157141, - "L4": 1.5325537414026, - "L5": 1.232251336089, - "L2": 1.45401676363862, - "L3": 1.53809404621276, - "a7": 121.095302943633, - "L1": 1.32695234463074, + "a1": 124.196798703218, + "L4": 1.53294901864819, + "L5": 1.22519892314153, + "L2": 1.46885205870801, + "L3": 1.52185617112199, + "a7": 122.10233513381, + "L1": 1.32821264313613, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 101.855975637335, - "bs": 59.0, - "a2": 109.536799085251, - "a5": 120.270307282695, - "sidechain_LEU": 97, - "chainIndex": 221, + "ss": "-", + "a3": 109.267911001843, + "bs": 32.0, + "a2": 108.945384841175, + "a5": 119.892061720282, + "sidechain_LEU": null, + "chainIndex": 448, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.868691252925 + "a4": 107.893597325331 } }, { - "pk": 1182, + "pk": 1181, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.461217509983, - "psi": -41.3272927872635, - "oldID": "444", - "bg": 22.69, + "a6": 113.307119952765, + "psi": 16.4326382587037, + "oldID": "450", + "bg": 40.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2303226775039, + "protein": "1TWF", + "zeta": 34.9969307256534, "sidechain_PHE": null, - "sidechain_LYS": 77, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1184, + "next": 1182, "sidechain_SER": null, - "bm": 19.0, + "bm": 37.0, "xpr": false, "prev": 1180, "terminal_flag": false, - "phi": -65.3167007362096, + "phi": -113.619998980586, "chainID": "A", "sidechain_GLN": null, - "ome": -178.453334470713, - "chi2": -155.014213128831, - "chi3": 178.582013761187, - "chi1": -164.346548108304, - "chi4": 47.4948946312878, + "ome": -176.120370250551, + "chi2": 63.4699396935961, + "chi3": null, + "chi1": 12.7547189483268, + "chi4": null, "chi5": null, - "a1": 118.00256134061, - "L4": 1.52564368839028, - "L5": 1.23912422137908, - "L2": 1.44853588357599, - "L3": 1.53241378433763, - "a7": 122.714703061851, - "L1": 1.33162139399338, + "a1": 120.95477150724, + "L4": 1.5165158713115, + "L5": 1.23040054129045, + "L2": 1.45807663039177, + "L3": 1.52421889428081, + "a7": 124.662709084693, + "L1": 1.32668686174139, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.090792877444, - "bs": 22.0, - "a2": 112.892632221441, - "a5": 120.78025362023, - "sidechain_LEU": null, - "chainIndex": 443, + "ss": "-", + "a3": 108.414879762577, + "bs": 39.0, + "a2": 108.90532925735, + "a5": 121.857912912935, + "sidechain_LEU": 98, + "chainIndex": 449, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.81619723252 + "a4": 111.219733984124 } }, { - "pk": 1183, + "pk": 1182, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.495335078326, - "psi": 17.327602154219, - "oldID": "223", - "bg": 0.0, + "a6": 119.618830832868, + "psi": 124.740382421963, + "oldID": "451", + "bg": 50.58, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 39.6501634557372, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1185, + "next": 1183, "sidechain_SER": null, - "bm": 58.0, + "bm": 40.0, "xpr": false, "prev": 1181, "terminal_flag": false, - "phi": -74.7568386651247, + "phi": -139.811307098605, "chainID": "A", "sidechain_GLN": null, - "ome": -177.913212249737, + "ome": 178.186927014813, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -131.673014384951, "chi4": null, "chi5": null, - "a1": 117.999870528967, - "L4": 1.52016592768761, - "L5": 1.23220828897039, - "L2": 1.4534608448045, - "L3": null, - "a7": 122.099767717753, - "L1": 1.32107136594186, + "a1": 125.517728680723, + "L4": 1.51220850703199, + "L5": 1.21979928028963, + "L2": 1.45129171893769, + "L3": 1.51534352049897, + "a7": 121.544008337097, + "L1": 1.32596286318179, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.269427784254, - "bs": 0.0, - "a2": null, - "a5": 119.392525905533, + "ss": "S", + "a3": 108.025852302088, + "bs": 51.0, + "a2": 106.988660493537, + "a5": 118.815273023486, "sidechain_LEU": null, - "chainIndex": 222, - "sidechain_HIS": null, + "chainIndex": 450, + "sidechain_HIS": 45, "h_bond_energy": 0.0, - "a4": null + "a4": 105.950614893073 } }, { - "pk": 1184, + "pk": 1183, "model": "pgd_core.residue", "fields": { "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.964833735474, - "psi": -37.8241124523615, - "oldID": "445", - "bg": 22.25, + "a6": 116.384583279395, + "psi": -32.8214183436412, + "oldID": "452", + "bg": 28.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.374520865958, + "protein": "1TWF", + "zeta": 34.1723606791817, "sidechain_PHE": null, - "sidechain_LYS": 78, + "sidechain_LYS": 70, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1186, + "next": 1184, "sidechain_SER": null, - "bm": 19.0, + "bm": 33.0, "xpr": false, "prev": 1182, "terminal_flag": false, - "phi": -63.4670743616764, + "phi": -54.4874498032166, "chainID": "A", "sidechain_GLN": null, - "ome": -170.445003705394, - "chi2": 168.378299223317, - "chi3": -153.837207162686, - "chi1": 176.679679775951, - "chi4": 87.9725887740976, + "ome": 178.632962144484, + "chi2": 128.562434109475, + "chi3": 72.970379979349, + "chi1": 34.6871070689295, + "chi4": 160.417160050782, "chi5": null, - "a1": 119.83854070355, - "L4": 1.51127966596319, - "L5": 1.24333860553818, - "L2": 1.45261118979333, - "L3": 1.52430080176505, - "a7": 122.773910817933, - "L1": 1.32709237991466, + "a1": 117.573786317284, + "L4": 1.53083019540722, + "L5": 1.23999375485808, + "L2": 1.45336268163186, + "L3": 1.51574366876372, + "a7": 123.680617134276, + "L1": 1.323571493072, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.700473192229, - "bs": 24.0, - "a2": 110.71456882164, - "a5": 121.260865033818, + "ss": "G", + "a3": 108.582382554287, + "bs": 23.0, + "a2": 110.737818517346, + "a5": 119.934578638336, "sidechain_LEU": null, - "chainIndex": 444, + "chainIndex": 451, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.417626363543 + "a4": 110.40869332032 } }, { - "pk": 1185, + "pk": 1184, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.681015169494, - "psi": 148.513182763913, - "oldID": "224", - "bg": 48.48, + "a6": 117.263810007377, + "psi": 10.4146233250904, + "oldID": "453", + "bg": 38.98, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 32.8686523300839, - "sidechain_PHE": 42, + "zeta": 34.5920305648983, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 28, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1187, + "next": 1185, "sidechain_SER": null, - "bm": 53.0, + "bm": 35.0, "xpr": false, "prev": 1183, "terminal_flag": false, - "phi": -85.1010157967603, + "phi": -69.8350154000862, "chainID": "A", "sidechain_GLN": null, - "ome": -179.63087038324, - "chi2": 88.2911642496583, - "chi3": null, - "chi1": -60.5790567762888, + "ome": 177.30082644376, + "chi2": 84.6703292834699, + "chi3": 97.7044558877914, + "chi1": -60.3333070200289, "chi4": null, "chi5": null, - "a1": 119.089217459222, - "L4": 1.51789664233639, - "L5": 1.22187628651761, - "L2": 1.46306527612807, - "L3": 1.52823714668519, - "a7": 123.032264777411, - "L1": 1.32965068295101, + "a1": 122.398617000113, + "L4": 1.53583874257568, + "L5": 1.23233322547085, + "L2": 1.46764157776493, + "L3": 1.54260432765361, + "a7": 122.712010779732, + "L1": 1.33751022936564, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 117.884076489323, - "bs": 48.0, - "a2": 110.264032089409, - "a5": 121.283996329983, + "ss": "G", + "a3": 112.285433235745, + "bs": 40.0, + "a2": 112.474223669656, + "a5": 119.98538232199, "sidechain_LEU": null, - "chainIndex": 223, + "chainIndex": 452, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.541292612879 + "a4": 107.102269138409 } }, { - "pk": 1186, + "pk": 1185, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.730202752594, - "psi": 7.55799127015907, - "oldID": "446", - "bg": 17.33, + "a6": 116.393536011818, + "psi": -5.92875940746072, + "oldID": "454", + "bg": 45.87, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7128397362651, - "sidechain_PHE": 43, + "protein": "1TWF", + "zeta": 34.64642217789, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1188, - "sidechain_SER": null, - "bm": 17.0, + "next": 1186, + "sidechain_SER": 54, + "bm": 37.0, "xpr": false, "prev": 1184, "terminal_flag": false, - "phi": -100.492602860686, + "phi": -96.622472982928, "chainID": "A", "sidechain_GLN": null, - "ome": 178.62820350794, - "chi2": -66.6221024611951, + "ome": 178.486771424733, + "chi2": null, "chi3": null, - "chi1": -73.9261586214517, + "chi1": -66.0735050916471, "chi4": null, "chi5": null, - "a1": 119.240069128495, - "L4": 1.5116010705948, - "L5": 1.22682358676051, - "L2": 1.44891374461551, - "L3": 1.52263673483964, - "a7": 123.514180588047, - "L1": 1.32575774735135, + "a1": 122.269290772318, + "L4": 1.53306500329427, + "L5": 1.23160086327123, + "L2": 1.45518741863255, + "L3": 1.54001260049863, + "a7": 123.013082906489, + "L1": 1.33132214616397, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 115.71187057669, - "bs": 18.0, - "a2": 108.871063535969, - "a5": 119.732297296487, + "ss": "G", + "a3": 105.617799046547, + "bs": 44.0, + "a2": 111.944600048591, + "a5": 120.593379976811, "sidechain_LEU": null, - "chainIndex": 445, + "chainIndex": 453, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.045283623294 + "a4": 109.546286199648 } }, { - "pk": 1187, + "pk": 1186, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "m", "sidechain_PRO": null, - "sidechain_ASN": 46, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.104200584388, - "psi": 126.045009296936, - "oldID": "225", - "bg": 53.16, + "a6": 116.782017955613, + "psi": 88.6593799744729, + "oldID": "455", + "bg": 36.95, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.28926512509, + "zeta": 33.9517070452759, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 29, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1189, + "next": 1187, "sidechain_SER": null, - "bm": 53.0, + "bm": 31.0, "xpr": false, "prev": 1185, "terminal_flag": false, - "phi": -115.790984690577, + "phi": -136.656336757542, "chainID": "A", "sidechain_GLN": null, - "ome": -178.265787527561, - "chi2": -81.3634130443081, - "chi3": null, - "chi1": 173.94005442199, + "ome": -179.173022372575, + "chi2": -175.435908673002, + "chi3": 99.9714402090515, + "chi1": -81.6944966306288, "chi4": null, "chi5": null, - "a1": 122.020708686499, - "L4": 1.54144956672349, - "L5": 1.23885417346176, - "L2": 1.45548666991196, - "L3": 1.53465215497122, - "a7": 122.874039774998, - "L1": 1.32704059748849, + "a1": 122.76944494036, + "L4": 1.51602072644887, + "L5": 1.22481817371302, + "L2": 1.45875658829153, + "L3": 1.53309330745322, + "a7": 122.411889658173, + "L1": 1.33510914692643, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 110.986006111539, - "bs": 53.0, - "a2": 108.974984040269, - "a5": 121.021598177683, + "ss": "E", + "a3": 110.344386298302, + "bs": 35.0, + "a2": 111.564149085058, + "a5": 120.795288126966, "sidechain_LEU": null, - "chainIndex": 224, + "chainIndex": 454, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.453032078849 + "a4": 109.625321167492 } }, { - "pk": 1188, + "pk": 1187, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.982144444216, - "psi": 103.506794990648, - "oldID": "447", - "bg": 17.11, + "a6": 118.013988639412, + "psi": 152.199795843767, + "oldID": "456", + "bg": 30.7, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9923145677628, + "protein": "1TWF", + "zeta": 34.1433972654386, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 63, + "sidechain_MET": 30, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1190, + "next": 1188, "sidechain_SER": null, - "bm": 17.0, + "bm": 29.0, "xpr": false, "prev": 1186, "terminal_flag": false, - "phi": -108.187921556764, + "phi": -114.450106293933, "chainID": "A", "sidechain_GLN": null, - "ome": -178.717203653066, - "chi2": null, - "chi3": null, - "chi1": -60.5096246373508, + "ome": 178.559044311679, + "chi2": -176.727032034106, + "chi3": -77.7864166240005, + "chi1": -55.9854259772157, "chi4": null, "chi5": null, - "a1": 120.92934964064, - "L4": 1.523122112641, - "L5": 1.22544136948768, - "L2": 1.45723214485461, - "L3": 1.52460198495996, - "a7": 122.163175698996, - "L1": 1.32808347976252, + "a1": 120.082120502958, + "L4": 1.52912924843632, + "L5": 1.2238780301518, + "L2": 1.45497648655519, + "L3": 1.53021460181561, + "a7": 121.827955177701, + "L1": 1.32344152447601, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.993911567331, - "bs": 17.0, - "a2": 110.049962016407, - "a5": 120.845970944699, + "ss": "E", + "a3": 111.032778166977, + "bs": 31.0, + "a2": 108.27333367221, + "a5": 120.086527446172, "sidechain_LEU": null, - "chainIndex": 446, + "chainIndex": 455, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.044014615858 + "a4": 112.358221479592 } }, { - "pk": 1189, + "pk": 1188, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.358615666991, - "psi": -11.5663269401467, - "oldID": "226", - "bg": 66.81, + "a6": 116.994764765215, + "psi": 140.93152476123, + "oldID": "457", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8580030054844, + "zeta": 34.5639497414386, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1191, + "next": 1189, "sidechain_SER": null, - "bm": 56.0, + "bm": 25.0, "xpr": false, "prev": 1187, "terminal_flag": false, - "phi": -59.8552228888029, + "phi": -80.928597125994, "chainID": "A", "sidechain_GLN": null, - "ome": -178.951260101198, - "chi2": 154.778353954992, - "chi3": 68.6992194798019, - "chi1": 64.7631321670223, + "ome": 178.427891170393, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.672046792968, - "L4": 1.52121741428674, - "L5": 1.22737000521638, - "L2": 1.46398387096013, - "L3": 1.53096534688026, - "a7": 123.132112228137, - "L1": 1.33435819590924, + "a1": 119.083935577335, + "L4": 1.53096167805634, + "L5": 1.23163416137492, + "L2": 1.46444404763599, + "L3": 1.50148383499265, + "a7": 123.242343390602, + "L1": 1.33090012896309, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 95, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.953346895051, - "bs": 67.0, - "a2": 110.560756992833, - "a5": 119.507006039285, + "ss": "E", + "a3": 107.700899306134, + "bs": 25.0, + "a2": 110.085098285729, + "a5": 119.73829809384, "sidechain_LEU": null, - "chainIndex": 225, + "chainIndex": 456, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.495789981231 + "a4": 110.441532009629 } }, { - "pk": 1190, + "pk": 1189, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 55, + "aa": "h", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.109740735651, - "psi": 149.521610697169, - "oldID": "448", - "bg": 18.89, + "a6": 116.471382863564, + "psi": 147.155943112472, + "oldID": "458", + "bg": 26.93, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.8836916919686, + "protein": "1TWF", + "zeta": 36.6744603668369, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1192, + "next": 1190, "sidechain_SER": null, - "bm": 19.0, + "bm": 23.0, "xpr": false, "prev": 1188, "terminal_flag": false, - "phi": -69.6722866059748, + "phi": -131.465046446643, "chainID": "A", "sidechain_GLN": null, - "ome": -177.535316867785, - "chi2": 2.31958091413356, - "chi3": -7.25652118174346, - "chi1": 3.66480834881409, - "chi4": 9.94962425257625, + "ome": 175.9327573032, + "chi2": null, + "chi3": null, + "chi1": -63.4665803772716, + "chi4": null, "chi5": null, - "a1": 120.938324920243, - "L4": 1.51502038000492, - "L5": 1.23525939771715, - "L2": 1.46078487123995, - "L3": 1.52179479261562, - "a7": 123.876818013758, - "L1": 1.31885094188333, + "a1": 123.191347094521, + "L4": 1.51656074223453, + "L5": 1.22143015042676, + "L2": 1.4775570872798, + "L3": 1.53769430706043, + "a7": 123.637698207396, + "L1": 1.33665695345806, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 1.82477793966377, - "ss": "-", - "a3": 113.086944017953, - "bs": 18.0, - "a2": 104.042288878242, - "a5": 121.013010008546, + "omep": null, + "ss": "E", + "a3": 109.104218984825, + "bs": 25.0, + "a2": 113.456406654287, + "a5": 119.883339674104, "sidechain_LEU": null, - "chainIndex": 447, - "sidechain_HIS": null, + "chainIndex": 457, + "sidechain_HIS": 46, "h_bond_energy": 0.0, - "a4": 109.276560719868 + "a4": 103.82346338273 } }, { - "pk": 1191, + "pk": 1190, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.139961194811, - "psi": -38.7912020446042, - "oldID": "227", - "bg": 48.28, + "a6": 115.753615019585, + "psi": 141.805952365471, + "oldID": "459", + "bg": 29.53, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8364266085989, + "zeta": 34.9346429068335, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 86, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1193, + "next": 1191, "sidechain_SER": null, - "bm": 50.0, + "bm": 26.0, "xpr": false, "prev": 1189, "terminal_flag": false, - "phi": -111.632302139473, + "phi": -77.6754430557202, "chainID": "A", "sidechain_GLN": null, - "ome": -177.569917455907, - "chi2": null, - "chi3": null, - "chi1": -177.404131982127, - "chi4": null, - "chi5": null, - "a1": 121.743604746915, - "L4": 1.52491812813961, - "L5": 1.22794393328797, - "L2": 1.45845249305892, - "L3": 1.57208262117178, - "a7": 122.356251504643, - "L1": 1.3301481856577, - "sidechain_ARG": null, + "ome": 179.81026206739, + "chi2": 153.527381519612, + "chi3": 58.0462554491078, + "chi1": -71.0132775515002, + "chi4": -134.350399944966, + "chi5": -0.181246137249641, + "a1": 121.961676647711, + "L4": 1.54857863942286, + "L5": 1.23974864519709, + "L2": 1.45413447816206, + "L3": 1.53629382280778, + "a7": 122.692134344742, + "L1": 1.33112520221254, + "sidechain_ARG": 65, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.381826148525, - "bs": 49.0, - "a2": 110.951847657892, - "a5": 120.484435146229, + "ss": "E", + "a3": 105.042343435912, + "bs": 29.0, + "a2": 110.514814934923, + "a5": 121.537447982638, "sidechain_LEU": null, - "chainIndex": 226, + "chainIndex": 458, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.746476767194 + "a4": 110.539817082578 } }, { - "pk": 1192, + "pk": 1191, "model": "pgd_core.residue", "fields": { "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.162378314368, - "psi": 134.099618008905, - "oldID": "449", - "bg": 23.4, + "a6": 115.384405885578, + "psi": 137.724444282474, + "oldID": "460", + "bg": 30.34, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7736237383293, + "protein": "1TWF", + "zeta": 36.1085878147627, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 87, + "sidechain_VAL": 88, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1194, + "next": 1192, "sidechain_SER": null, - "bm": 22.0, + "bm": 30.0, "xpr": false, "prev": 1190, "terminal_flag": false, - "phi": -121.342479318663, + "phi": -79.567487118097, "chainID": "A", "sidechain_GLN": null, - "ome": 171.425798676934, + "ome": 177.674730274386, "chi2": null, "chi3": null, - "chi1": 175.947088400339, + "chi1": 169.589624711946, "chi4": null, "chi5": null, - "a1": 121.620937078703, - "L4": 1.51449311301129, - "L5": 1.23631822922006, - "L2": 1.45009080957201, - "L3": 1.5357148861852, - "a7": 122.798240520575, - "L1": 1.3242677016097, + "a1": 122.178750559963, + "L4": 1.51996083530559, + "L5": 1.22543120568238, + "L2": 1.45309633047013, + "L3": 1.54955836813095, + "a7": 123.855177973578, + "L1": 1.3264923345879, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.957399569412, - "bs": 23.0, - "a2": 110.912133772367, - "a5": 121.039091595982, + "ss": "E", + "a3": 110.984492307695, + "bs": 30.0, + "a2": 111.234343216382, + "a5": 120.759158285656, "sidechain_LEU": null, - "chainIndex": 448, + "chainIndex": 459, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.838093384891 + "a4": 106.860480054394 } }, { - "pk": 1193, + "pk": 1192, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.398065286402, - "psi": -28.341952128235, - "oldID": "228", - "bg": 45.24, + "a6": 116.24926075161, + "psi": 99.4516960165742, + "oldID": "461", + "bg": 43.01, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9316021592045, - "sidechain_PHE": 44, - "sidechain_LYS": null, + "zeta": 35.7204966343917, + "sidechain_PHE": null, + "sidechain_LYS": 71, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1195, + "next": 1193, "sidechain_SER": null, - "bm": 49.0, + "bm": 33.0, "xpr": false, "prev": 1191, "terminal_flag": false, - "phi": -108.386915303685, + "phi": -136.093976854862, "chainID": "A", "sidechain_GLN": null, - "ome": -177.210619346419, - "chi2": -67.1843216436305, - "chi3": null, - "chi1": -48.6423763553768, - "chi4": null, + "ome": 179.580238785173, + "chi2": -57.7063052288432, + "chi3": -178.085649726663, + "chi1": -143.976633964303, + "chi4": 179.927098471196, "chi5": null, - "a1": 119.98165698864, - "L4": 1.51833353895063, - "L5": 1.22868195090794, - "L2": 1.45645489903589, - "L3": 1.52935836147398, - "a7": 121.567292043375, - "L1": 1.32784835691182, + "a1": 123.785529696073, + "L4": 1.52448625233584, + "L5": 1.23537613320588, + "L2": 1.46206118250989, + "L3": 1.53123674777836, + "a7": 122.65200265616, + "L1": 1.32640435933312, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.219370160614, - "bs": 43.0, - "a2": 109.893276494241, - "a5": 121.034642227068, + "ss": "E", + "a3": 102.209797020912, + "bs": 45.0, + "a2": 111.471089234394, + "a5": 121.059518771796, "sidechain_LEU": null, - "chainIndex": 227, + "chainIndex": 460, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.030680064617 + "a4": 108.881210707107 } }, { - "pk": 1194, + "pk": 1193, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.656311598551, - "psi": 137.864956169586, - "oldID": "450", - "bg": 21.41, + "a6": 116.755316422289, + "psi": 131.362037038372, + "oldID": "462", + "bg": 35.6, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4360537892596, + "protein": "1TWF", + "zeta": 34.2421083080144, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 89, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1197, - "sidechain_SER": 54, - "bm": 23.0, + "next": 1194, + "sidechain_SER": null, + "bm": 34.0, "xpr": false, "prev": 1192, "terminal_flag": false, - "phi": -132.494596988037, + "phi": -73.8229651837073, "chainID": "A", "sidechain_GLN": null, - "ome": 177.661832837777, + "ome": -179.458726188051, "chi2": null, "chi3": null, - "chi1": 158.034820116156, + "chi1": -176.599658881488, "chi4": null, "chi5": null, - "a1": 120.687502837203, - "L4": 1.52335493103599, - "L5": 1.22506918484324, - "L2": 1.44818342062095, - "L3": 1.5353281579958, - "a7": 121.666307883908, - "L1": 1.31824903623583, + "a1": 120.789017307501, + "L4": 1.52735084471315, + "L5": 1.22078697177102, + "L2": 1.46087636820752, + "L3": 1.52122312435464, + "a7": 123.431882041492, + "L1": 1.3268897875734, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.386728747764, - "bs": 21.0, - "a2": 111.591936088155, - "a5": 119.677083261373, + "ss": "E", + "a3": 108.530125659413, + "bs": 34.0, + "a2": 110.620590387291, + "a5": 119.78827784461, "sidechain_LEU": null, - "chainIndex": 449, + "chainIndex": 461, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.092183977984 + "a4": 110.476557182148 } }, { - "pk": 1195, + "pk": 1194, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.394831086643, - "psi": 94.9251597268024, - "oldID": "229", - "bg": 50.91, + "a6": 117.762547961882, + "psi": 169.774977417388, + "oldID": "463", + "bg": 38.21, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 66, "protein": "1TWF", - "zeta": 35.2491533055813, + "zeta": 34.8278113785166, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1196, - "sidechain_SER": 55, - "bm": 49.0, + "next": 1195, + "sidechain_SER": null, + "bm": 37.0, "xpr": false, "prev": 1193, "terminal_flag": false, - "phi": -144.338502084021, + "phi": -136.912912044387, "chainID": "A", "sidechain_GLN": null, - "ome": 178.507377954966, - "chi2": null, + "ome": 179.592890733343, + "chi2": 172.757609599228, "chi3": null, - "chi1": 58.4358215129213, + "chi1": 62.6410839327543, "chi4": null, "chi5": null, - "a1": 117.939267128879, - "L4": 1.51396487717385, - "L5": 1.22653719816646, - "L2": 1.45145658823037, - "L3": 1.5260999785732, - "a7": 123.113326552895, - "L1": 1.31958836388347, + "a1": 123.12892548847, + "L4": 1.54263877488379, + "L5": 1.23387135157679, + "L2": 1.46490466882897, + "L3": 1.56956751805425, + "a7": 121.882943547044, + "L1": 1.33380511005403, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 113.973598600539, - "bs": 50.0, - "a2": 108.694861344872, - "a5": 120.491238338671, + "ss": "E", + "a3": 110.532207843268, + "bs": 37.0, + "a2": 111.175311428784, + "a5": 120.299676388228, "sidechain_LEU": null, - "chainIndex": 228, + "chainIndex": 462, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.565679377286 + "a4": 108.93586587491 } }, { - "pk": 1196, + "pk": 1195, "model": "pgd_core.residue", "fields": { - "aa": "r", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 72, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.382687586223, - "psi": 141.347881408887, - "oldID": "230", - "bg": 53.53, + "a6": 117.422532297643, + "psi": -119.432764659304, + "oldID": "464", + "bg": 41.82, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9412847665798, + "zeta": 36.3507159218728, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1198, + "next": 1196, "sidechain_SER": null, - "bm": 49.0, + "bm": 43.0, "xpr": false, - "prev": 1195, + "prev": 1194, "terminal_flag": false, - "phi": -96.355613094868, + "phi": -61.8566282859269, "chainID": "A", "sidechain_GLN": null, - "ome": -179.598293923533, - "chi2": 171.747085740529, - "chi3": 144.401547503922, - "chi1": -88.7795699442494, - "chi4": -75.6386928659911, - "chi5": -0.327371065978168, - "a1": 121.06577993966, - "L4": 1.52253897763622, - "L5": 1.23112321201557, - "L2": 1.45633419909014, - "L3": 1.51990986484755, - "a7": 122.006303207717, - "L1": 1.3254571666529, - "sidechain_ARG": 59, + "ome": -177.558644741332, + "chi2": -38.5325311441445, + "chi3": 42.92552399194, + "chi1": 18.6926331298488, + "chi4": -32.9243863721938, + "chi5": null, + "a1": 122.772692535645, + "L4": 1.53182975679936, + "L5": 1.22300031310048, + "L2": 1.46828511387852, + "L3": 1.5307459382736, + "a7": 122.905371314409, + "L1": 1.35375132463505, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.316773076581, - "bs": 57.0, - "a2": 110.393325568027, - "a5": 120.592138014077, + "omep": -16.9663947558991, + "ss": "S", + "a3": 115.455826030528, + "bs": 41.0, + "a2": 103.353434677933, + "a5": 119.66920905219, "sidechain_LEU": null, - "chainIndex": 229, + "chainIndex": 463, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.751747599174 + "a4": 112.791431388079 } }, { - "pk": 1197, + "pk": 1196, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.765963079953, - "psi": 9.47299078431004, - "oldID": "451", - "bg": 30.32, + "a6": 115.49510226207, + "psi": 150.314039290768, + "oldID": "465", + "bg": 45.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7789318504724, + "protein": "1TWF", + "zeta": 34.1742378963145, "sidechain_PHE": null, - "sidechain_LYS": 79, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1199, + "next": 1197, "sidechain_SER": null, - "bm": 26.0, + "bm": 43.0, "xpr": false, - "prev": 1194, + "prev": 1195, "terminal_flag": false, - "phi": -97.516939484291, + "phi": -18.6629802574027, "chainID": "A", "sidechain_GLN": null, - "ome": -179.614880533054, - "chi2": -158.403663230816, - "chi3": -19.8869479536824, - "chi1": -64.6518746314685, - "chi4": -179.456178752825, + "ome": 178.959610377548, + "chi2": -84.5811623632027, + "chi3": null, + "chi1": -33.6989540134122, + "chi4": null, "chi5": null, - "a1": 118.502405420264, - "L4": 1.53020493784052, - "L5": 1.23143270145073, - "L2": 1.47021513689141, - "L3": 1.52733470962769, - "a7": 122.835262986892, - "L1": 1.32499925105347, + "a1": 123.630674003917, + "L4": 1.52940098991442, + "L5": 1.2416417200211, + "L2": 1.47394536291899, + "L3": 1.53529124541892, + "a7": 123.748876836359, + "L1": 1.3346384063263, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 30, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.313792114386, - "bs": 30.0, - "a2": 112.091754196708, - "a5": 121.397467179847, + "ss": "S", + "a3": 116.222218374423, + "bs": 46.0, + "a2": 111.046338414103, + "a5": 120.696970245515, "sidechain_LEU": null, - "chainIndex": 450, + "chainIndex": 464, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.209408905568 + "a4": 107.733438045094 } }, { - "pk": 1198, + "pk": 1197, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 56, + "aa": "s", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.507292901742, - "psi": -59.3797294432246, - "oldID": "231", - "bg": 50.51, + "a6": 119.415437369028, + "psi": -167.355884525167, + "oldID": "466", + "bg": 34.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.8647350565293, + "zeta": 33.9205971503859, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1200, - "sidechain_SER": null, - "bm": 52.0, + "next": 1198, + "sidechain_SER": 55, + "bm": 37.0, "xpr": false, "prev": 1196, "terminal_flag": false, - "phi": -42.1890098458193, + "phi": -55.67961931911, "chainID": "A", "sidechain_GLN": null, - "ome": -178.931177888326, - "chi2": 43.9416645269158, - "chi3": -40.9675527120872, - "chi1": -29.2630407100098, - "chi4": 23.1504811807293, + "ome": -178.06471854374, + "chi2": null, + "chi3": null, + "chi1": 67.1853464502722, + "chi4": null, "chi5": null, - "a1": 121.590735111476, - "L4": 1.52415435226123, - "L5": 1.23398578095395, - "L2": 1.46448984717368, - "L3": 1.52119950147326, - "a7": 123.506352318442, - "L1": 1.34107913115776, + "a1": 123.85771966749, + "L4": 1.5616528252183, + "L5": 1.2284032251906, + "L2": 1.46553287247853, + "L3": 1.54545545063532, + "a7": 121.254989761038, + "L1": 1.33391597614888, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 16.2609242116882, - "ss": "G", - "a3": 113.851694559695, - "bs": 50.0, - "a2": 102.890209735867, - "a5": 120.98600786545, + "omep": null, + "ss": "S", + "a3": 110.773362592364, + "bs": 35.0, + "a2": 109.134540692439, + "a5": 119.329248911622, "sidechain_LEU": null, - "chainIndex": 230, + "chainIndex": 465, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.56782776956 + "a4": 111.834713933322 } }, { - "pk": 1199, + "pk": 1198, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 69, - "a6": 117.534890779362, - "psi": 113.672194859705, - "oldID": "452", - "bg": 23.18, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 114.879375470069, + "psi": 129.334646187714, + "oldID": "467", + "bg": 22.09, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8187575449957, + "protein": "1TWF", + "zeta": 32.4338341088815, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 57, "sidechain_TRP": null, - "next": 1201, + "next": 1199, "sidechain_SER": null, - "bm": 21.0, + "bm": 25.0, "xpr": false, "prev": 1197, "terminal_flag": false, - "phi": -90.3831347366904, + "phi": 63.2222245142719, "chainID": "A", "sidechain_GLN": null, - "ome": -174.234770758596, - "chi2": -17.6037377483899, + "ome": 177.882273720375, + "chi2": null, "chi3": null, - "chi1": -171.506413833053, + "chi1": 112.04308667638, "chi4": null, "chi5": null, - "a1": 121.694952755403, - "L4": 1.53841661007709, - "L5": 1.23257542854076, - "L2": 1.44543199894597, - "L3": 1.51690054146635, - "a7": 121.929522934469, - "L1": 1.31957354069129, + "a1": 123.142324919858, + "L4": 1.54120194966502, + "L5": 1.23466193671363, + "L2": 1.49407612250954, + "L3": 1.58635144059269, + "a7": 123.905896732747, + "L1": 1.33670016013959, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.28923627745, + "ss": "S", + "a3": 118.585587061981, "bs": 23.0, - "a2": 108.09955044646, - "a5": 120.53463762776, + "a2": 115.541178940099, + "a5": 121.214283534487, "sidechain_LEU": null, - "chainIndex": 451, + "chainIndex": 466, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.921783741975 + "a4": 104.596147172813 } }, { - "pk": 1200, + "pk": 1199, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.672488742204, - "psi": -31.7920262226605, - "oldID": "232", - "bg": 62.98, + "a6": 115.759509696304, + "psi": 138.633798640952, + "oldID": "468", + "bg": 17.94, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3920492965387, - "sidechain_PHE": null, + "zeta": 37.2349535069859, + "sidechain_PHE": 48, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1202, + "next": 1200, "sidechain_SER": null, - "bm": 57.0, + "bm": 18.0, "xpr": false, "prev": 1198, "terminal_flag": false, - "phi": -44.6753012171416, + "phi": -72.6853381846559, "chainID": "A", "sidechain_GLN": null, - "ome": -178.483735678284, - "chi2": -102.092878797261, - "chi3": 62.961791226825, - "chi1": 59.1578977059577, + "ome": 179.121903080602, + "chi2": -32.1296896232564, + "chi3": null, + "chi1": -80.8234933133321, "chi4": null, "chi5": null, - "a1": 122.16025648294, - "L4": 1.51563470875231, - "L5": 1.231943731022, - "L2": 1.45098767286855, - "L3": 1.52677365842681, - "a7": 122.753357193763, - "L1": 1.32925176396942, + "a1": 124.649032153758, + "L4": 1.50465570310831, + "L5": 1.23737209596049, + "L2": 1.45168540341921, + "L3": 1.52251212284155, + "a7": 123.858333516141, + "L1": 1.33390071252322, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 96, + "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 114.507655666659, - "bs": 64.0, - "a2": 110.409798363396, - "a5": 120.571421540497, + "ss": "E", + "a3": 106.538819560755, + "bs": 20.0, + "a2": 109.537752296018, + "a5": 120.38132490859, "sidechain_LEU": null, - "chainIndex": 231, + "chainIndex": 467, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.803004088205 + "a4": 107.619539479587 } }, { - "pk": 1201, + "pk": 1200, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 57, + "aa": "r", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 119.107831932097, - "psi": -13.0816384504587, - "oldID": "453", - "bg": 21.49, + "a6": 115.279340816712, + "psi": 148.731728712341, + "oldID": "469", + "bg": 26.2, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.5673754665557, + "protein": "1TWF", + "zeta": 35.2654350997045, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1203, + "next": 1201, "sidechain_SER": null, - "bm": 19.0, + "bm": 23.0, "xpr": false, "prev": 1199, "terminal_flag": false, - "phi": -72.7889487398854, + "phi": -113.69484573649, "chainID": "A", "sidechain_GLN": null, - "ome": 175.942086411568, - "chi2": -30.1335170460222, - "chi3": 21.4347302928593, - "chi1": 26.4568248245559, - "chi4": -4.17766129141644, - "chi5": null, - "a1": 120.521307885218, - "L4": 1.52264537563503, - "L5": 1.21794991967694, - "L2": 1.46913719497551, - "L3": 1.53464008641895, - "a7": 123.285474671947, - "L1": 1.32909666666575, - "sidechain_ARG": null, + "ome": 178.765876591333, + "chi2": -146.698566178108, + "chi3": 145.108224590557, + "chi1": -57.5998608117825, + "chi4": -130.965721253407, + "chi5": -1.32714583733885, + "a1": 121.910313444088, + "L4": 1.51620017607992, + "L5": 1.22493115254033, + "L2": 1.45902030680771, + "L3": 1.52537510510528, + "a7": 124.275565214199, + "L1": 1.32480089304826, + "sidechain_ARG": 66, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 5.53958938295546, - "ss": "T", - "a3": 113.2708259369, - "bs": 20.0, - "a2": 103.445118147461, - "a5": 117.606258916327, + "omep": null, + "ss": "E", + "a3": 112.291666977309, + "bs": 27.0, + "a2": 111.477986703652, + "a5": 120.442533779309, "sidechain_LEU": null, - "chainIndex": 452, + "chainIndex": 468, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.706738112603 + "a4": 107.147721397378 } }, { - "pk": 1202, + "pk": 1201, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.126356301182, - "psi": -7.02491522508578, - "oldID": "233", - "bg": 63.89, + "a6": 114.716491186736, + "psi": 158.27673688633, + "oldID": "470", + "bg": 19.92, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.1191604176075, + "zeta": 35.802020006228, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 15, - "next": 1204, + "sidechain_TRP": null, + "next": 1202, "sidechain_SER": null, - "bm": 56.0, + "bm": 18.0, "xpr": false, "prev": 1200, "terminal_flag": false, - "phi": -66.5495196430135, + "phi": -140.715980199834, "chainID": "A", "sidechain_GLN": null, - "ome": 178.802428114578, - "chi2": -22.935836417492, + "ome": 175.886440470417, + "chi2": 164.959817087127, "chi3": null, - "chi1": -58.7911388592514, + "chi1": -57.7223288317925, "chi4": null, "chi5": null, - "a1": 119.947405376599, - "L4": 1.52735988270841, - "L5": 1.22831018657996, - "L2": 1.44833057079452, - "L3": 1.52937450593848, - "a7": 121.87591896199, - "L1": 1.32401263789466, + "a1": 124.424600511162, + "L4": 1.53569332423951, + "L5": 1.22546861627737, + "L2": 1.47313293037745, + "L3": 1.53146970329057, + "a7": 123.729463253663, + "L1": 1.33344123450679, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 115.289331890207, - "bs": 65.0, - "a2": 110.112692995572, - "a5": 119.997588822301, - "sidechain_LEU": null, - "chainIndex": 232, + "ss": "E", + "a3": 113.019950692922, + "bs": 19.0, + "a2": 111.137091249991, + "a5": 121.549635761005, + "sidechain_LEU": 99, + "chainIndex": 469, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.453734746337 + "a4": 106.40059858096 } }, { - "pk": 1203, + "pk": 1202, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 43, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.936837854123, - "psi": -2.5904753962234, - "oldID": "454", - "bg": 21.27, + "a6": 116.39560357052, + "psi": 138.066134561482, + "oldID": "471", + "bg": 17.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5718423033195, + "protein": "1TWF", + "zeta": 35.5542290522939, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1205, + "next": 1203, "sidechain_SER": null, - "bm": 17.0, + "bm": 14.0, "xpr": false, "prev": 1201, "terminal_flag": false, - "phi": -85.1553818208653, + "phi": -76.43228025782, "chainID": "A", - "sidechain_GLN": 45, - "ome": 178.520366847328, - "chi2": 179.424265565332, - "chi3": 82.1509436935043, - "chi1": -68.3714640887769, + "sidechain_GLN": null, + "ome": -178.176207305867, + "chi2": -75.2274579570218, + "chi3": null, + "chi1": 166.611565714892, "chi4": null, "chi5": null, - "a1": 120.678008810274, - "L4": 1.52056259903678, - "L5": 1.22800318536361, - "L2": 1.46544937985076, - "L3": 1.52036957882131, - "a7": 122.814930690529, - "L1": 1.33368287118312, + "a1": 126.105556227436, + "L4": 1.51210905790684, + "L5": 1.25269615453431, + "L2": 1.46640832203914, + "L3": 1.53138096109035, + "a7": 122.68629551132, + "L1": 1.33581333839238, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.781007194103, - "bs": 22.0, - "a2": 111.0959391053, - "a5": 120.242830481559, + "ss": "-", + "a3": 103.591891603532, + "bs": 17.0, + "a2": 109.619981871627, + "a5": 120.898634565723, "sidechain_LEU": null, - "chainIndex": 453, + "chainIndex": 470, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.550010525336 + "a4": 110.830852862089 } }, { - "pk": 1204, + "pk": 1203, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.89075904181, - "psi": -10.470301937989, - "oldID": "234", - "bg": 53.52, + "a6": 118.46158338598, + "psi": -30.7526984723995, + "oldID": "472", + "bg": 19.69, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3206238554442, + "zeta": 32.1583545073351, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 30, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1206, + "next": 1204, "sidechain_SER": null, - "bm": 56.0, + "bm": 18.0, "xpr": false, "prev": 1202, "terminal_flag": false, - "phi": -79.447474209274, + "phi": -53.9378347389979, "chainID": "A", "sidechain_GLN": null, - "ome": 178.050146608169, - "chi2": -170.314876093354, - "chi3": -74.3741405798092, - "chi1": -58.2077925952342, + "ome": -177.677510180674, + "chi2": 117.05503857584, + "chi3": null, + "chi1": -93.2564677000424, "chi4": null, "chi5": null, - "a1": 119.05764574356, - "L4": 1.52344717901851, - "L5": 1.23424964335147, - "L2": 1.45641804557486, - "L3": 1.52481967179911, - "a7": 123.520838210117, - "L1": 1.32772269260833, + "a1": 118.806786154035, + "L4": 1.51804171101467, + "L5": 1.22645509841142, + "L2": 1.47079308145446, + "L3": 1.54001115977092, + "a7": 121.895437568877, + "L1": 1.32574012716595, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "G", - "a3": 107.176573162868, - "bs": 51.0, - "a2": 111.024902341356, - "a5": 121.58822133799, - "sidechain_LEU": null, - "chainIndex": 233, + "a3": 117.130481332105, + "bs": 15.0, + "a2": 110.930327331343, + "a5": 119.590170617417, + "sidechain_LEU": 100, + "chainIndex": 471, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.431395672605 + "a4": 110.097848803013 } }, { - "pk": 1205, + "pk": 1204, "model": "pgd_core.residue", "fields": { "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.141493636657, - "psi": 119.159231804351, - "oldID": "455", - "bg": 16.54, + "a6": 118.236650010428, + "psi": 9.83915560667868, + "oldID": "473", + "bg": 16.65, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4412958643929, + "protein": "1TWF", + "zeta": 33.5188019420504, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1207, + "next": 1205, "sidechain_SER": 56, - "bm": 15.0, + "bm": 20.0, "xpr": false, "prev": 1203, "terminal_flag": false, - "phi": -102.984654223269, + "phi": -81.455176203366, "chainID": "A", "sidechain_GLN": null, - "ome": 176.951069970321, + "ome": 178.926994726898, "chi2": null, "chi3": null, - "chi1": 176.962014473685, + "chi1": -90.6600411001817, "chi4": null, "chi5": null, - "a1": 120.816140665299, - "L4": 1.51598128161929, - "L5": 1.23866612895683, - "L2": 1.45975231488904, - "L3": 1.53780165059367, - "a7": 122.681158438487, - "L1": 1.32787891626688, + "a1": 119.009261287035, + "L4": 1.53589288971027, + "L5": 1.22797876707154, + "L2": 1.46976244605813, + "L3": 1.53506846984006, + "a7": 122.433977794939, + "L1": 1.33009862236847, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.673784792434, - "bs": 16.0, - "a2": 111.153425369709, - "a5": 121.172901657905, + "ss": "G", + "a3": 117.432976753849, + "bs": 18.0, + "a2": 109.42608694861, + "a5": 119.327650370953, "sidechain_LEU": null, - "chainIndex": 454, + "chainIndex": 472, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.974789023057 + "a4": 109.731424104698 } }, { - "pk": 1206, + "pk": 1205, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.444939202657, - "psi": 119.112266341403, - "oldID": "235", - "bg": 61.5, + "a6": 112.774810443818, + "psi": -1.99226099254653, + "oldID": "474", + "bg": 20.62, "sidechain_CYS": null, - "sidechain_ILE": 66, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5146565992349, + "zeta": 34.9792501956028, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 90, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1208, + "next": 1206, "sidechain_SER": null, - "bm": 60.0, + "bm": 23.0, "xpr": false, "prev": 1204, "terminal_flag": false, - "phi": -103.90645486838, + "phi": -106.294043326528, "chainID": "A", "sidechain_GLN": null, - "ome": -178.16787498646, - "chi2": 174.806752812493, + "ome": -179.417424416123, + "chi2": null, "chi3": null, - "chi1": -61.5760589155625, + "chi1": 94.3836937047994, "chi4": null, "chi5": null, - "a1": 122.890091983415, - "L4": 1.5306117716263, - "L5": 1.23278891385689, - "L2": 1.45345662397474, - "L3": 1.53710097547934, - "a7": 123.379881397245, - "L1": 1.32877188894833, + "a1": 120.620741954983, + "L4": 1.53191967167423, + "L5": 1.23286812201928, + "L2": 1.46936131922034, + "L3": 1.53787027874138, + "a7": 124.400217716164, + "L1": 1.33276416246951, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.686975110687, - "bs": 60.0, - "a2": 110.72359284219, - "a5": 121.163173736672, + "ss": "G", + "a3": 106.889181000301, + "bs": 21.0, + "a2": 110.938355957167, + "a5": 122.818008797028, "sidechain_LEU": null, - "chainIndex": 234, + "chainIndex": 473, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.976281007941 + "a4": 109.59535430743 } }, { - "pk": 1207, + "pk": 1206, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.464486943808, - "psi": -41.3995150433065, - "oldID": "456", - "bg": 0.0, + "a6": 117.060074367777, + "psi": -46.7796578342567, + "oldID": "475", + "bg": 26.46, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.780318449701, + "protein": "1TWF", + "zeta": 34.605021154855, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 58, "sidechain_TRP": null, - "next": 1209, + "next": 1207, "sidechain_SER": null, - "bm": 15.0, + "bm": 27.0, "xpr": false, "prev": 1205, "terminal_flag": false, - "phi": -55.7607680608907, + "phi": -61.9762966505048, "chainID": "A", "sidechain_GLN": null, - "ome": -177.49157987975, + "ome": -178.613699099925, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -107.487412374457, "chi4": null, "chi5": null, - "a1": 120.745828164764, - "L4": 1.53111575493777, - "L5": 1.24155939487965, - "L2": 1.45563025578701, - "L3": 1.51907924305667, - "a7": 123.235001960173, - "L1": 1.32460614305681, + "a1": 126.27472190371, + "L4": 1.53745600176143, + "L5": 1.22776786417268, + "L2": 1.43485012809486, + "L3": 1.55553801074836, + "a7": 121.779547129836, + "L1": 1.32206872451582, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.921107361999, - "bs": 15.0, - "a2": 110.154973197423, - "a5": 120.275545753584, + "ss": "H", + "a3": 113.533048174918, + "bs": 24.0, + "a2": 105.830941999274, + "a5": 121.100415374563, "sidechain_LEU": null, - "chainIndex": 455, + "chainIndex": 474, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.559288201511 + "a4": 113.704039545314 } }, { - "pk": 1208, + "pk": 1207, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.725968924144, - "psi": 133.136336867779, - "oldID": "236", - "bg": 55.64, + "a6": 118.126493507859, + "psi": -45.2568420489919, + "oldID": "476", + "bg": 34.55, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8820449201037, + "zeta": 33.716406503765, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1210, - "sidechain_SER": null, - "bm": 61.0, + "next": 1208, + "sidechain_SER": 57, + "bm": 26.0, "xpr": false, "prev": 1206, "terminal_flag": false, - "phi": -82.6434189867908, + "phi": -62.493745568692, "chainID": "A", "sidechain_GLN": null, - "ome": 179.412298439757, - "chi2": -178.933667412645, + "ome": 179.734866215505, + "chi2": null, "chi3": null, - "chi1": -48.1254035449578, + "chi1": 176.223020426184, "chi4": null, "chi5": null, - "a1": 123.049657902627, - "L4": 1.52304675918775, - "L5": 1.23174263096936, - "L2": 1.45848724793094, - "L3": 1.52870349941052, - "a7": 122.987431055244, - "L1": 1.32875060711537, + "a1": 120.586125567347, + "L4": 1.5528507058633, + "L5": 1.2360642667705, + "L2": 1.44911759920026, + "L3": 1.51488448007991, + "a7": 121.422114201784, + "L1": 1.32315918994906, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 114.774526545418, - "bs": 55.0, - "a2": 109.581653979213, - "a5": 121.276610472297, - "sidechain_LEU": 98, - "chainIndex": 235, + "ss": "H", + "a3": 117.504888863305, + "bs": 31.0, + "a2": 108.313522686998, + "a5": 120.433916391093, + "sidechain_LEU": null, + "chainIndex": 475, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.846073724076 + "a4": 110.425840817403 } }, { - "pk": 1209, + "pk": 1208, "model": "pgd_core.residue", "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 47, - "chain": "1H0HA", + "aa": "p", + "sidechain_PRO": 73, + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.382516190326, - "psi": 63.1032013595831, - "oldID": "457", - "bg": 17.17, + "a6": 115.564662178036, + "psi": -33.4130575780284, + "oldID": "477", + "bg": 33.29, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6647824227134, + "protein": "1TWF", + "zeta": 36.9824341230584, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1211, + "next": 1209, "sidechain_SER": null, - "bm": 14.0, + "bm": 27.0, "xpr": false, "prev": 1207, "terminal_flag": false, - "phi": 41.7336994427243, + "phi": -66.2609605890642, "chainID": "A", "sidechain_GLN": null, - "ome": -170.303917711164, - "chi2": 39.6824104397035, - "chi3": null, - "chi1": -175.39923577799, - "chi4": null, + "ome": 179.997004210102, + "chi2": -39.8635594104193, + "chi3": 38.9286682334095, + "chi1": 24.8796432228186, + "chi4": -23.5908448124571, "chi5": null, - "a1": 122.498403765668, - "L4": 1.53344607816099, - "L5": 1.21627924315171, - "L2": 1.45565151776851, - "L3": 1.52567691094687, - "a7": 122.6989085003, - "L1": 1.34107820914055, + "a1": 120.43939349503, + "L4": 1.5220011823507, + "L5": 1.23422063775462, + "L2": 1.46656983783156, + "L3": 1.5320506499873, + "a7": 123.040626036003, + "L1": 1.34559795382567, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.94286642875, - "bs": 16.0, - "a2": 108.860678257187, - "a5": 120.900107503362, + "omep": -9.28509095508348, + "ss": "H", + "a3": 112.11272065654, + "bs": 31.0, + "a2": 103.522358886932, + "a5": 121.363051599884, "sidechain_LEU": null, - "chainIndex": 456, + "chainIndex": 476, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.553496916273 + "a4": 112.692989790197 } }, { - "pk": 1210, + "pk": 1209, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 113.915536156942, - "psi": -27.341440396556, - "oldID": "237", - "bg": 67.42, + "a6": 115.078303594107, + "psi": -13.2584060088095, + "oldID": "478", + "bg": 17.98, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.9009694301393, + "zeta": 35.0817221320635, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 64, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1212, + "next": 1210, "sidechain_SER": null, - "bm": 65.0, + "bm": 25.0, "xpr": false, "prev": 1208, "terminal_flag": false, - "phi": -125.784916219393, + "phi": -83.8488862752915, "chainID": "A", "sidechain_GLN": null, - "ome": -179.74524744533, - "chi2": null, + "ome": -179.63693778752, + "chi2": -48.2718931699047, "chi3": null, - "chi1": -69.5562980982005, + "chi1": -78.4486551674884, "chi4": null, "chi5": null, - "a1": 121.842676437595, - "L4": 1.51195145193741, - "L5": 1.23041994095995, - "L2": 1.45361978824893, - "L3": 1.51979405613457, - "a7": 124.030546460177, - "L1": 1.3254845981262, + "a1": 120.986193740179, + "L4": 1.50334241023519, + "L5": 1.23428364019926, + "L2": 1.44629951192921, + "L3": 1.51735221490473, + "a7": 123.636436501385, + "L1": 1.32694197385077, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 31, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.07957644484, - "bs": 67.0, - "a2": 110.926217864222, - "a5": 122.053916888914, + "ss": "H", + "a3": 109.089486260517, + "bs": 18.0, + "a2": 110.087076970721, + "a5": 121.277044096203, "sidechain_LEU": null, - "chainIndex": 236, + "chainIndex": 477, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.108321684326 + "a4": 109.80318846872 } }, { - "pk": 1211, + "pk": 1210, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 44, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.095117826515, - "psi": -26.8079584225985, - "oldID": "458", - "bg": 16.39, + "a6": 115.636983394095, + "psi": 48.4308259733945, + "oldID": "479", + "bg": 35.62, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.0519018214838, + "protein": "1TWF", + "zeta": 34.8806791889181, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 16, - "next": 1213, + "sidechain_TRP": null, + "next": 1211, "sidechain_SER": null, - "bm": 15.0, + "bm": 27.0, "xpr": false, "prev": 1209, "terminal_flag": false, - "phi": -59.8195718824474, + "phi": 55.5087889037889, "chainID": "A", "sidechain_GLN": null, - "ome": 179.173442333331, - "chi2": -101.463430831039, + "ome": 179.574180191461, + "chi2": -141.419859744989, "chi3": null, - "chi1": -170.013458451835, + "chi1": 176.663745572129, "chi4": null, "chi5": null, - "a1": 121.808219469624, - "L4": 1.53120257232434, - "L5": 1.24059240602568, - "L2": 1.46078641570799, - "L3": 1.54110662785297, - "a7": 122.650885675926, - "L1": 1.32652227274406, + "a1": 120.94061628172, + "L4": 1.53326401434897, + "L5": 1.24330693281609, + "L2": 1.4535459298698, + "L3": 1.51832185455954, + "a7": 122.416312670919, + "L1": 1.3261329958192, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 115.538136036496, - "bs": 17.0, - "a2": 111.305659478989, - "a5": 120.116366181687, + "ss": "T", + "a3": 110.930263333206, + "bs": 35.0, + "a2": 110.208875209293, + "a5": 121.931816529497, "sidechain_LEU": null, - "chainIndex": 457, + "chainIndex": 478, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.74919751669 + "a4": 109.241123700994 } }, { - "pk": 1212, + "pk": 1211, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.908528874527, - "psi": 108.247351226895, - "oldID": "238", - "bg": 75.5, - "sidechain_CYS": 26, + "a6": 114.922529871875, + "psi": 166.372281167374, + "oldID": "480", + "bg": 0.0, + "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3277910951552, + "zeta": 34.2782802785541, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1214, + "next": 1212, "sidechain_SER": null, - "bm": 70.0, + "bm": 28.0, "xpr": false, "prev": 1210, "terminal_flag": false, - "phi": -133.854993195155, + "phi": -129.324127406706, "chainID": "A", "sidechain_GLN": null, - "ome": -178.687470592678, + "ome": 176.951504011773, "chi2": null, "chi3": null, - "chi1": 174.446712970773, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.530439515096, - "L4": 1.52345796933568, - "L5": 1.23396506852722, - "L2": 1.44367298804568, - "L3": 1.5233202843859, - "a7": 123.408786664562, - "L1": 1.32309617100549, + "a1": 119.861488389402, + "L4": 1.51085829945521, + "L5": 1.2263125301147, + "L2": 1.4543691455069, + "L3": 1.53894106124035, + "a7": 123.955300188189, + "L1": 1.32514299552731, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.070977789173, - "bs": 73.0, - "a2": 109.623691066477, - "a5": 120.682335257455, + "ss": "-", + "a3": 111.118550304009, + "bs": 30.0, + "a2": 110.477015520346, + "a5": 121.048954822721, "sidechain_LEU": null, - "chainIndex": 237, + "chainIndex": 479, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.138549728201 + "a4": 110.142556332577 } }, { - "pk": 1213, + "pk": 1212, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.160557053978, - "psi": -5.34095854644453, - "oldID": "459", - "bg": 16.85, + "chain": "1TWFA", + "sidechain_ASP": 79, + "a6": 117.487683952518, + "psi": -175.139280658868, + "oldID": "481", + "bg": 22.33, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7196104426943, + "protein": "1TWF", + "zeta": 33.4141600504345, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 17, - "next": 1215, + "sidechain_TRP": null, + "next": 1213, "sidechain_SER": null, - "bm": 15.0, + "bm": 26.0, "xpr": false, "prev": 1211, "terminal_flag": false, - "phi": -70.6257239223547, + "phi": -145.197599509723, "chainID": "A", "sidechain_GLN": null, - "ome": 172.482783446127, - "chi2": 116.780807340817, + "ome": -174.224900962192, + "chi2": 16.6862056221036, "chi3": null, - "chi1": -87.4235967639577, + "chi1": 57.4363164606641, "chi4": null, "chi5": null, - "a1": 120.084372099555, - "L4": 1.52380891776433, - "L5": 1.21435541113204, - "L2": 1.45024584905665, - "L3": 1.51640387460932, - "a7": 122.427899075971, - "L1": 1.33048677917808, + "a1": 123.633339842213, + "L4": 1.54969714244035, + "L5": 1.23772235946182, + "L2": 1.46646304990078, + "L3": 1.53488434058832, + "a7": 121.565951034708, + "L1": 1.32434878485139, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 112.878411454429, - "bs": 17.0, - "a2": 112.461961711345, - "a5": 119.384980157013, + "ss": "-", + "a3": 103.481376929707, + "bs": 23.0, + "a2": 111.795405878049, + "a5": 120.8762611548, "sidechain_LEU": null, - "chainIndex": 458, + "chainIndex": 480, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.37418260617 + "a4": 112.003498009039 } }, { - "pk": 1214, + "pk": 1213, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.256785986771, - "psi": 132.131166619448, - "oldID": "239", - "bg": 75.54, + "a6": 116.727132033083, + "psi": 45.7710083226424, + "oldID": "482", + "bg": 24.11, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9636703557371, - "sidechain_PHE": null, + "zeta": 33.9314655177996, + "sidechain_PHE": 49, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1216, + "next": 1214, "sidechain_SER": null, - "bm": 73.0, + "bm": 29.0, "xpr": false, "prev": 1212, "terminal_flag": false, - "phi": -87.7698265531133, + "phi": -113.107061061061, "chainID": "A", "sidechain_GLN": null, - "ome": 179.651671102682, - "chi2": 172.603203316845, + "ome": -179.210125641894, + "chi2": -71.7237499642956, "chi3": null, - "chi1": -152.462766812537, + "chi1": -41.636807238263, "chi4": null, "chi5": null, - "a1": 122.772315849861, - "L4": 1.52971194127975, - "L5": 1.22749725838826, - "L2": 1.45918485277943, - "L3": 1.53472819056279, - "a7": 121.778778369615, - "L1": 1.33020005381505, + "a1": 119.300863816532, + "L4": 1.52731804987778, + "L5": 1.23669028799242, + "L2": 1.45096342895423, + "L3": 1.523145094535, + "a7": 122.422366655686, + "L1": 1.32467703178055, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.016368364867, - "bs": 75.0, - "a2": 109.384095179393, - "a5": 120.963811329244, - "sidechain_LEU": 99, - "chainIndex": 238, + "ss": "S", + "a3": 121.521851780577, + "bs": 23.0, + "a2": 106.567873853781, + "a5": 120.81412075568, + "sidechain_LEU": null, + "chainIndex": 481, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.517732203365 + "a4": 110.519725550664 } }, { - "pk": 1215, + "pk": 1214, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.540486306577, - "psi": -21.604850218333, - "oldID": "460", - "bg": 17.3, + "chain": "1TWFA", + "sidechain_ASP": 80, + "a6": 115.78653443209, + "psi": 32.5982234758536, + "oldID": "483", + "bg": 34.44, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0753559502101, + "protein": "1TWF", + "zeta": 34.5957509617476, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1217, - "sidechain_SER": 57, - "bm": 16.0, + "next": 1215, + "sidechain_SER": null, + "bm": 29.0, "xpr": false, "prev": 1213, "terminal_flag": false, - "phi": -59.7244410139359, + "phi": -113.076043606123, "chainID": "A", "sidechain_GLN": null, - "ome": 174.462088997135, - "chi2": null, + "ome": -179.93795583914, + "chi2": 35.9445038044944, "chi3": null, - "chi1": 61.7855179602491, + "chi1": 53.3035093129212, "chi4": null, "chi5": null, - "a1": 119.606371628117, - "L4": 1.53306590750196, - "L5": 1.23681838204624, - "L2": 1.46287498297403, - "L3": 1.53522257423369, - "a7": 123.432781855956, - "L1": 1.32388817671117, + "a1": 120.892208551659, + "L4": 1.52693647069556, + "L5": 1.23623508863599, + "L2": 1.45489450417115, + "L3": 1.52417892025463, + "a7": 123.220076138975, + "L1": 1.32702904758993, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 109.05768265014, - "bs": 17.0, - "a2": 111.550139622529, - "a5": 119.989345553031, + "ss": "S", + "a3": 113.672335210842, + "bs": 33.0, + "a2": 108.905524484799, + "a5": 120.993176607024, "sidechain_LEU": null, - "chainIndex": 459, + "chainIndex": 482, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.253037002036 + "a4": 110.216285968395 } }, { - "pk": 1216, + "pk": 1215, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 58, + "aa": "g", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.079939699594, - "psi": 127.722007147514, - "oldID": "240", - "bg": 75.72, + "a6": 117.916182531468, + "psi": -18.3222000108601, + "oldID": "484", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.3896671143452, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1218, + "next": 1216, "sidechain_SER": null, - "bm": 76.0, + "bm": 29.0, "xpr": false, "prev": 1214, "terminal_flag": false, - "phi": -82.4346942855293, + "phi": 131.767757733325, "chainID": "A", "sidechain_GLN": null, - "ome": -179.937780194639, - "chi2": -43.2351828431603, - "chi3": 34.6700310941611, - "chi1": 34.5653536561767, - "chi4": -12.9673876194056, + "ome": -179.148759657666, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 120.235549447931, - "L4": 1.5288840915055, - "L5": 1.23330406856573, - "L2": 1.46709417091669, - "L3": 1.52339102355435, - "a7": 122.896230792869, - "L1": 1.34344276283097, + "a1": 121.005503512634, + "L4": 1.51327591503755, + "L5": 1.23508254202831, + "L2": 1.4455260140932, + "L3": null, + "a7": 123.201635571414, + "L1": 1.33085481620651, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -12.7461341121038, - "ss": "-", - "a3": 111.970223313754, - "bs": 75.0, - "a2": 102.838137902298, - "a5": 121.023828848061, + "omep": null, + "ss": "S", + "a3": 112.909142569525, + "bs": 0.0, + "a2": null, + "a5": 118.882169673295, "sidechain_LEU": null, - "chainIndex": 239, + "chainIndex": 483, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.656286827221 + "a4": null } }, { - "pk": 1217, + "pk": 1216, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "d", "sidechain_PRO": null, - "sidechain_ASN": 48, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.981856120921, - "psi": -0.941270743639085, - "oldID": "461", - "bg": 18.1, + "sidechain_ASN": null, + "chain": "1TWFA", + "sidechain_ASP": 81, + "a6": 115.617160453348, + "psi": 149.66636426857, + "oldID": "485", + "bg": 29.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0217557449536, + "protein": "1TWF", + "zeta": 34.5371201084666, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1219, + "next": 1217, "sidechain_SER": null, - "bm": 15.0, + "bm": 28.0, "xpr": false, "prev": 1215, "terminal_flag": false, - "phi": -72.4977626396277, + "phi": -50.1488759935106, "chainID": "A", "sidechain_GLN": null, - "ome": -177.216793398839, - "chi2": -61.1910071141004, + "ome": 178.347962716423, + "chi2": 35.2949580821684, "chi3": null, - "chi1": -66.2173271450428, + "chi1": -59.1795183581575, "chi4": null, "chi5": null, - "a1": 123.555781188536, - "L4": 1.52870327064703, - "L5": 1.24986644525931, - "L2": 1.45656448516211, - "L3": 1.53354544576245, - "a7": 123.079501479543, - "L1": 1.34164976608854, + "a1": 121.388794641152, + "L4": 1.51385203888067, + "L5": 1.21673592810706, + "L2": 1.48093416690961, + "L3": 1.54331117209869, + "a7": 122.978766934259, + "L1": 1.34078402148973, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 116.969630722879, - "bs": 16.0, - "a2": 109.681621116979, - "a5": 120.827530740407, + "ss": "-", + "a3": 113.857209377572, + "bs": 27.0, + "a2": 113.133166577799, + "a5": 121.375441034407, "sidechain_LEU": null, - "chainIndex": 460, + "chainIndex": 484, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.344342681002 + "a4": 106.050931253149 } }, { - "pk": 1218, + "pk": 1217, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.261636491894, - "psi": 108.284683880335, - "oldID": "241", - "bg": 78.51, + "a6": 117.368453429417, + "psi": 133.223013428467, + "oldID": "486", + "bg": 36.95, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.925452286439, + "zeta": 34.895688326745, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 88, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1220, + "next": 1218, "sidechain_SER": null, - "bm": 79.0, + "bm": 31.0, "xpr": false, "prev": 1216, "terminal_flag": false, - "phi": -90.8720368893934, + "phi": -133.349501289521, "chainID": "A", "sidechain_GLN": null, - "ome": 179.955761312228, - "chi2": null, - "chi3": null, - "chi1": -179.721624626623, + "ome": 177.150635497417, + "chi2": -174.164285235597, + "chi3": -82.3101666568608, + "chi1": -76.1721122365102, "chi4": null, "chi5": null, - "a1": 121.553017138664, - "L4": 1.52700738976341, - "L5": 1.23420159454996, - "L2": 1.4568787338924, - "L3": 1.54200632930834, - "a7": 121.984410166576, - "L1": 1.3282304037227, + "a1": 122.289230311505, + "L4": 1.5311851561148, + "L5": 1.23245494845098, + "L2": 1.4597013475963, + "L3": 1.53863958390841, + "a7": 122.23408063325, + "L1": 1.32547552700317, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 94, "omep": null, - "ss": "-", - "a3": 111.085377878404, - "bs": 78.0, - "a2": 111.273577923062, - "a5": 120.753571750885, + "ss": "E", + "a3": 110.032795633641, + "bs": 38.0, + "a2": 110.068597754223, + "a5": 120.371200148442, "sidechain_LEU": null, - "chainIndex": 240, + "chainIndex": 485, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.346127719679 + "a4": 109.840578673309 } }, { - "pk": 1219, + "pk": 1218, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.779910041089, - "psi": -51.3643765405069, - "oldID": "462", - "bg": 14.63, + "a6": 114.560711865526, + "psi": 168.675841419178, + "oldID": "487", + "bg": 32.46, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2804206961079, - "sidechain_PHE": 45, + "protein": "1TWF", + "zeta": 33.7400909766134, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 31, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1221, + "next": 1219, "sidechain_SER": null, - "bm": 13.0, + "bm": 29.0, "xpr": false, "prev": 1217, "terminal_flag": false, - "phi": -39.4626988866566, + "phi": -118.555857850572, "chainID": "A", "sidechain_GLN": null, - "ome": -173.632496575608, - "chi2": 88.9726253697773, - "chi3": null, - "chi1": -175.221783554914, + "ome": -178.274614905557, + "chi2": 178.194191989933, + "chi3": 164.554348468934, + "chi1": -56.4969675158339, "chi4": null, "chi5": null, - "a1": 121.035414919784, - "L4": 1.52677519964168, - "L5": 1.20742084010427, - "L2": 1.45551163088591, - "L3": 1.53473805489465, - "a7": 121.766258291048, - "L1": 1.32603264601969, + "a1": 120.907727869785, + "L4": 1.53822418101574, + "L5": 1.23183807151265, + "L2": 1.46636545944812, + "L3": 1.54248500712098, + "a7": 123.107410209886, + "L1": 1.33040506366816, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 116.038121704823, - "bs": 14.0, - "a2": 110.947710262764, - "a5": 119.412014786525, + "ss": "E", + "a3": 109.606927272067, + "bs": 33.0, + "a2": 112.261549367836, + "a5": 122.316717807816, "sidechain_LEU": null, - "chainIndex": 461, + "chainIndex": 486, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.134801213424 + "a4": 109.385863858553 } }, { - "pk": 1220, + "pk": 1219, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 59, - "sidechain_ASN": null, + "aa": "n", + "sidechain_PRO": null, + "sidechain_ASN": 45, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.396283446677, - "psi": 130.347161082754, - "oldID": "242", - "bg": 82.69, + "a6": 114.977130030921, + "psi": 141.214503239195, + "oldID": "488", + "bg": 25.03, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.6528168595682, + "zeta": 34.6458068191949, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1222, + "next": 1220, "sidechain_SER": null, - "bm": 84.0, + "bm": 30.0, "xpr": false, "prev": 1218, "terminal_flag": false, - "phi": -62.4744771572631, + "phi": -111.717773946367, "chainID": "A", "sidechain_GLN": null, - "ome": 179.959088012863, - "chi2": -44.7023122698568, - "chi3": 39.4560765390066, - "chi1": 32.0917749051648, - "chi4": -19.9019068970212, + "ome": 179.752129948571, + "chi2": -32.774913440177, + "chi3": null, + "chi1": -56.4679138543737, + "chi4": null, "chi5": null, - "a1": 120.918010535841, - "L4": 1.52828190576932, - "L5": 1.22908198849023, - "L2": 1.46554153850244, - "L3": 1.5249408294913, - "a7": 121.929522933497, - "L1": 1.3425989822626, + "a1": 122.932765321289, + "L4": 1.52232386793047, + "L5": 1.23978359894177, + "L2": 1.45251846385609, + "L3": 1.52780942677369, + "a7": 122.826745909493, + "L1": 1.32541371577285, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 4.95723259572007, - "ss": "-", - "a3": 111.954621176954, - "bs": 82.0, - "a2": 102.885921980868, - "a5": 120.674123188171, + "omep": null, + "ss": "E", + "a3": 111.62926277522, + "bs": 25.0, + "a2": 109.963905748884, + "a5": 122.196099246397, "sidechain_LEU": null, - "chainIndex": 241, + "chainIndex": 487, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.277973502528 + "a4": 109.802000272168 } }, { - "pk": 1221, + "pk": 1220, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 60, + "aa": "l", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.5395328976, - "psi": -23.4248355297077, - "oldID": "463", - "bg": 15.62, + "a6": 116.858880835223, + "psi": 131.006851904051, + "oldID": "489", + "bg": 29.77, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.5561588124817, + "protein": "1TWF", + "zeta": 34.4357601486424, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1223, + "next": 1221, "sidechain_SER": null, - "bm": 14.0, + "bm": 30.0, "xpr": false, "prev": 1219, "terminal_flag": false, - "phi": -61.6009332090319, + "phi": -118.426055193688, "chainID": "A", "sidechain_GLN": null, - "ome": 177.687990102839, - "chi2": 32.7730575156706, - "chi3": -32.914483570932, - "chi1": -19.1444390578746, - "chi4": 22.0330596913542, + "ome": -179.018385390049, + "chi2": 166.308370841611, + "chi3": null, + "chi1": -179.814028579743, + "chi4": null, "chi5": null, - "a1": 120.040233756681, - "L4": 1.52948541930301, - "L5": 1.22603911391639, - "L2": 1.46853619436667, - "L3": 1.53793683177462, - "a7": 123.997889197308, - "L1": 1.33518153452175, + "a1": 121.286923334815, + "L4": 1.52921216170757, + "L5": 1.22099131273447, + "L2": 1.44220424767259, + "L3": 1.52626022016605, + "a7": 123.125709714416, + "L1": 1.32117561717669, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 5.77408284562574, - "ss": "H", - "a3": 112.776105810999, - "bs": 14.0, - "a2": 104.094564073444, - "a5": 118.452232709782, - "sidechain_LEU": null, - "chainIndex": 462, + "omep": null, + "ss": "E", + "a3": 105.402726452693, + "bs": 28.0, + "a2": 109.288620287525, + "a5": 120.005296633387, + "sidechain_LEU": 101, + "chainIndex": 488, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.211795581829 + "a4": 112.563043670996 } }, { - "pk": 1222, + "pk": 1221, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 61, + "aa": "h", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.091313531392, - "psi": 165.088462727917, - "oldID": "243", - "bg": 90.21, + "a6": 115.969766531172, + "psi": 130.85099161307, + "oldID": "490", + "bg": 31.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.6455642452347, + "zeta": 35.5793218899824, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1224, + "next": 1222, "sidechain_SER": null, - "bm": 91.0, + "bm": 30.0, "xpr": false, "prev": 1220, "terminal_flag": false, - "phi": -60.799689867394, + "phi": -120.547577013983, "chainID": "A", "sidechain_GLN": null, - "ome": -179.893548380641, - "chi2": -45.6026430557989, - "chi3": 41.1072920368369, - "chi1": 32.0678720332054, - "chi4": -21.5084597997913, + "ome": -179.306138270919, + "chi2": null, + "chi3": null, + "chi1": -64.8349388731055, + "chi4": null, "chi5": null, - "a1": 122.219642068851, - "L4": 1.52406411532274, - "L5": 1.22870900180045, - "L2": 1.4661374771615, - "L3": 1.52515155464947, - "a7": 122.083780666372, - "L1": 1.34099339501324, + "a1": 122.954410434091, + "L4": 1.52310147756763, + "L5": 1.24207033967704, + "L2": 1.4658520873282, + "L3": 1.52994189636007, + "a7": 122.767769071154, + "L1": 1.33515963910939, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 5.25454336063177, - "ss": "-", - "a3": 112.726402891549, - "bs": 89.0, - "a2": 102.947551986893, - "a5": 120.821484076043, + "omep": null, + "ss": "E", + "a3": 110.860426507248, + "bs": 29.0, + "a2": 110.208232937823, + "a5": 121.241687188926, "sidechain_LEU": null, - "chainIndex": 242, - "sidechain_HIS": null, + "chainIndex": 489, + "sidechain_HIS": 47, "h_bond_energy": 0.0, - "a4": 112.090995437521 + "a4": 108.370577293649 } }, { - "pk": 1223, + "pk": 1222, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.483120689976, - "psi": -37.3148996010507, - "oldID": "464", - "bg": 16.76, + "a6": 117.988598224564, + "psi": 107.737158860432, + "oldID": "491", + "bg": 25.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9438031434513, + "protein": "1TWF", + "zeta": 34.4649302560606, "sidechain_PHE": null, - "sidechain_LYS": 80, - "sidechain_VAL": null, + "sidechain_LYS": null, + "sidechain_VAL": 91, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1225, + "next": 1223, "sidechain_SER": null, - "bm": 14.0, + "bm": 25.0, "xpr": false, "prev": 1221, "terminal_flag": false, - "phi": -69.196805235379, + "phi": -99.4760465537881, "chainID": "A", "sidechain_GLN": null, - "ome": -177.000607260421, - "chi2": 169.897135002183, - "chi3": 177.00221500443, - "chi1": -60.1941895176642, - "chi4": 177.430226785186, + "ome": 179.922013424572, + "chi2": null, + "chi3": null, + "chi1": -171.924196268374, + "chi4": null, "chi5": null, - "a1": 121.458779242654, - "L4": 1.51289868520881, - "L5": 1.2253554604303, - "L2": 1.45316852152676, - "L3": 1.53666692118807, - "a7": 123.090904609382, - "L1": 1.32099977526258, + "a1": 119.856333745933, + "L4": 1.52912307980409, + "L5": 1.21705048215091, + "L2": 1.45581178863624, + "L3": 1.53256946977763, + "a7": 121.52891522372, + "L1": 1.32527734020031, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.695085477949, - "bs": 17.0, - "a2": 111.579005374216, - "a5": 120.345579083769, + "ss": "-", + "a3": 115.27064443711, + "bs": 23.0, + "a2": 111.073239415827, + "a5": 120.467659994698, "sidechain_LEU": null, - "chainIndex": 463, + "chainIndex": 490, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.539427074751 + "a4": 107.734046540381 } }, { - "pk": 1224, + "pk": 1223, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 62, + "sidechain_PRO": 74, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.553408692229, - "psi": -35.0260272698042, - "oldID": "244", - "bg": 97.32, + "a6": 116.083761016441, + "psi": 147.9730634945, + "oldID": "492", + "bg": 25.44, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.2123294167375, + "zeta": 36.9119957605085, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1226, + "next": 1224, "sidechain_SER": null, - "bm": 99.0, + "bm": 25.0, "xpr": false, "prev": 1222, "terminal_flag": false, - "phi": -50.3255614104193, + "phi": -54.8926452663417, "chainID": "A", "sidechain_GLN": null, - "ome": 179.930139374489, - "chi2": -40.7801137114897, - "chi3": 40.7857222355009, - "chi1": 24.2294858807536, - "chi4": -26.5481487320074, + "ome": -175.399168407257, + "chi2": -41.7471249038485, + "chi3": 37.7271030882697, + "chi1": 28.9622441279296, + "chi4": -19.5032310247001, "chi5": null, - "a1": 123.470417798824, - "L4": 1.53129418562943, - "L5": 1.22932474722678, - "L2": 1.46556790563172, - "L3": 1.53093459048313, - "a7": 121.525581671226, - "L1": 1.34309360323215, + "a1": 118.490444586908, + "L4": 1.51369010015445, + "L5": 1.23587790321415, + "L2": 1.4651057598018, + "L3": 1.52601740312035, + "a7": 123.562127455731, + "L1": 1.34188627099636, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 4.60745403822596, - "ss": "T", - "a3": 116.736632440398, - "bs": 97.0, - "a2": 103.193212404599, - "a5": 119.920889399053, + "omep": 11.0859048004294, + "ss": "-", + "a3": 109.518691422576, + "bs": 24.0, + "a2": 103.260822710838, + "a5": 120.339568523301, "sidechain_LEU": null, - "chainIndex": 243, + "chainIndex": 491, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.783488255835 + "a4": 113.580189367737 } }, { - "pk": 1225, + "pk": 1224, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.773544789462, - "psi": -41.1134670074805, - "oldID": "465", - "bg": 14.52, + "a6": 118.480276497453, + "psi": -7.9960123403659, + "oldID": "493", + "bg": 37.04, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3632118807926, + "protein": "1TWF", + "zeta": 33.7816314132312, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1227, + "next": 1225, "sidechain_SER": null, - "bm": 13.0, + "bm": 30.0, "xpr": false, "prev": 1223, "terminal_flag": false, - "phi": -78.5769311834585, + "phi": -108.367957534481, "chainID": "A", - "sidechain_GLN": null, - "ome": 176.720644124036, - "chi2": -29.440038066037, - "chi3": null, - "chi1": -47.8657663691214, + "sidechain_GLN": 50, + "ome": 179.299336017572, + "chi2": 62.6623464265129, + "chi3": -167.273167506933, + "chi1": -140.008886381627, "chi4": null, "chi5": null, - "a1": 121.478317986781, - "L4": 1.52013552037185, - "L5": 1.22802028413166, - "L2": 1.46779656491914, - "L3": 1.52341997365278, - "a7": 123.134003359847, - "L1": 1.33434072068787, + "a1": 120.950769739484, + "L4": 1.53483132761594, + "L5": 1.22239875335138, + "L2": 1.44961691110937, + "L3": 1.5298246536626, + "a7": 121.549429513168, + "L1": 1.32768667227339, "sidechain_ARG": null, - "sidechain_TYR": 40, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.292738477704, - "bs": 14.0, - "a2": 109.187896233688, - "a5": 120.081247418494, + "ss": "-", + "a3": 119.466607527435, + "bs": 34.0, + "a2": 107.237149844969, + "a5": 119.969156036366, "sidechain_LEU": null, - "chainIndex": 464, + "chainIndex": 492, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.659466775057 + "a4": 110.877437242887 } }, { - "pk": 1226, + "pk": 1225, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 63, + "aa": "s", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.139009741723, - "psi": -31.4716488814008, - "oldID": "245", - "bg": 105.46, + "a6": 116.021386484889, + "psi": 176.959785350558, + "oldID": "494", + "bg": 27.06, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.0980809800976, + "zeta": 34.0859282296742, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1228, - "sidechain_SER": null, - "bm": 107.0, + "next": 1226, + "sidechain_SER": 58, + "bm": 34.0, "xpr": false, "prev": 1224, "terminal_flag": false, - "phi": -57.8473620930115, + "phi": -126.965576169674, "chainID": "A", "sidechain_GLN": null, - "ome": 179.096914413687, - "chi2": -42.6115512979382, - "chi3": 40.3585414289982, - "chi1": 27.8117342438335, - "chi4": -23.5780139270975, + "ome": -178.870874584761, + "chi2": null, + "chi3": null, + "chi1": 76.1207361192629, + "chi4": null, "chi5": null, - "a1": 117.741190786576, - "L4": 1.52565383778672, - "L5": 1.23088349915267, - "L2": 1.46739167975319, - "L3": 1.52894462456297, - "a7": 123.027670297888, - "L1": 1.34592283059232, + "a1": 120.098758252864, + "L4": 1.53156417025797, + "L5": 1.23076572926845, + "L2": 1.46581973902855, + "L3": 1.53028054415823, + "a7": 122.818101084506, + "L1": 1.32852892628583, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 3.42634821025928, - "ss": "T", - "a3": 112.484280431148, - "bs": 105.0, - "a2": 103.163428881543, - "a5": 120.833173192412, + "omep": null, + "ss": "S", + "a3": 110.407816265722, + "bs": 29.0, + "a2": 110.916736517099, + "a5": 121.160265905237, "sidechain_LEU": null, - "chainIndex": 244, + "chainIndex": 493, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.727346975529 + "a4": 109.901352591739 } }, { - "pk": 1227, + "pk": 1226, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.663058571784, - "psi": -45.2437176141873, - "oldID": "466", - "bg": 14.03, + "a6": 116.778198665466, + "psi": -42.997381767146, + "oldID": "495", + "bg": 44.51, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.3537591897692, + "protein": "1TWF", + "zeta": 34.4969026998227, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1229, - "sidechain_SER": 58, - "bm": 13.0, + "next": 1227, + "sidechain_SER": null, + "bm": 39.0, "xpr": false, "prev": 1225, "terminal_flag": false, - "phi": -63.5806546189562, + "phi": -76.4437784447456, "chainID": "A", "sidechain_GLN": null, - "ome": 179.568877458836, - "chi2": null, - "chi3": null, - "chi1": 59.931304700937, + "ome": 179.704756840191, + "chi2": 58.7221770210096, + "chi3": 66.1017152025319, + "chi1": -156.934924520974, "chi4": null, "chi5": null, - "a1": 120.776961525747, - "L4": 1.54312784625971, - "L5": 1.20815576283691, - "L2": 1.45392452329126, - "L3": 1.54022963982214, - "a7": 121.565827483389, - "L1": 1.3268592676484, + "a1": 121.305968427412, + "L4": 1.52949762463577, + "L5": 1.23295699258402, + "L2": 1.44151781335176, + "L3": 1.53259764370131, + "a7": 122.339334278114, + "L1": 1.32433172275768, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 95, "omep": null, "ss": "H", - "a3": 110.266992803954, - "bs": 13.0, - "a2": 111.806638195914, - "a5": 119.759847704521, + "a3": 109.309564728692, + "bs": 43.0, + "a2": 108.989150761228, + "a5": 120.856497401657, "sidechain_LEU": null, - "chainIndex": 465, + "chainIndex": 494, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.64348808544 + "a4": 111.779968003779 } }, { - "pk": 1228, + "pk": 1227, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.602694769345, - "psi": -58.9159236813533, - "oldID": "246", - "bg": 117.27, + "a6": 115.449156819596, + "psi": -42.6006324756331, + "oldID": "496", + "bg": 51.83, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3802382159673, + "zeta": 34.9158003812858, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 89, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1230, + "next": 1228, "sidechain_SER": null, - "bm": 118.0, + "bm": 44.0, "xpr": false, "prev": 1226, "terminal_flag": false, - "phi": -73.0182704397153, + "phi": -65.7731973582478, "chainID": "A", "sidechain_GLN": null, - "ome": 178.912292656275, - "chi2": null, - "chi3": null, - "chi1": -168.26101334252, + "ome": -179.651481452869, + "chi2": 101.759438366254, + "chi3": -70.5409346127653, + "chi1": -45.5477305113696, "chi4": null, "chi5": null, - "a1": 121.75871163353, - "L4": 1.52334085148447, - "L5": 1.23124559879542, - "L2": 1.45670843975807, - "L3": 1.54602209871683, - "a7": 123.229735007271, - "L1": 1.3271658217014, + "a1": 120.073247064676, + "L4": 1.51992002469687, + "L5": 1.24342746407107, + "L2": 1.45150394882167, + "L3": 1.52569421338977, + "a7": 123.153542008595, + "L1": 1.32737834832503, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 96, "omep": null, - "ss": "T", - "a3": 106.998842555572, - "bs": 117.0, - "a2": 111.121594965258, - "a5": 121.16562797368, + "ss": "H", + "a3": 108.475921858538, + "bs": 53.0, + "a2": 111.458454275033, + "a5": 121.397040495535, "sidechain_LEU": null, - "chainIndex": 245, + "chainIndex": 495, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.013874245172 + "a4": 108.787378746491 } }, { - "pk": 1229, + "pk": 1228, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.834994420934, - "psi": -44.7893319465449, - "oldID": "467", - "bg": 0.0, + "a6": 117.900126415164, + "psi": -36.0324880928602, + "oldID": "497", + "bg": 41.37, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5279385463609, + "protein": "1TWF", + "zeta": 32.6259512699747, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 59, "sidechain_TRP": null, - "next": 1231, + "next": 1229, "sidechain_SER": null, - "bm": 12.0, + "bm": 37.0, "xpr": false, "prev": 1227, "terminal_flag": false, - "phi": -60.2934201660424, + "phi": -62.1007259503534, "chainID": "A", "sidechain_GLN": null, - "ome": -176.357214811637, + "ome": 177.817218555306, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -78.6936433080634, "chi4": null, "chi5": null, - "a1": 120.122075311677, - "L4": 1.51902646292074, - "L5": 1.23801420443023, - "L2": 1.46393987349016, - "L3": 1.52808260185686, - "a7": 124.159958528545, - "L1": 1.32674707910857, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, + "a1": 120.911786663298, + "L4": 1.53229407419945, + "L5": 1.22229326341773, + "L2": 1.45094353726249, + "L3": 1.5480332730319, + "a7": 122.336403472675, + "L1": 1.32691441109763, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, "ss": "H", - "a3": 111.218097402524, - "bs": 13.0, - "a2": 111.305226934855, - "a5": 120.946094191684, + "a3": 110.708560136272, + "bs": 41.0, + "a2": 110.080017127205, + "a5": 119.741648504323, "sidechain_LEU": null, - "chainIndex": 466, + "chainIndex": 496, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.680576630887 + "a4": 112.994998234621 } }, { - "pk": 1230, + "pk": 1229, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -137807,243 +125642,243 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.118325401358, - "psi": 99.9907006878933, - "oldID": "247", - "bg": 130.07, + "a6": 116.822830151556, + "psi": -42.3240765693876, + "oldID": "498", + "bg": 34.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2891785579282, + "zeta": 34.6242003753837, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1232, + "next": 1230, "sidechain_SER": null, - "bm": 131.0, + "bm": 30.0, "xpr": false, "prev": 1228, "terminal_flag": false, - "phi": -107.38795457437, + "phi": -63.4021854553293, "chainID": "A", "sidechain_GLN": null, - "ome": -179.743629001119, - "chi2": 107.554307235568, - "chi3": 179.080755964922, - "chi1": 33.9102244383661, - "chi4": 177.935560268868, - "chi5": 0.0907397542812165, - "a1": 122.356166220338, - "L4": 1.53127816089725, - "L5": 1.23580826631561, - "L2": 1.45641707870947, - "L3": 1.53672752207928, - "a7": 121.980015267835, - "L1": 1.32855040714666, - "sidechain_ARG": 60, + "ome": -178.209820212102, + "chi2": 159.789483041418, + "chi3": 128.871613400944, + "chi1": -92.864146275422, + "chi4": -76.6705172638331, + "chi5": -0.419282579447418, + "a1": 121.158906105865, + "L4": 1.53458336372639, + "L5": 1.22902143569827, + "L2": 1.46409199172676, + "L3": 1.53014860996022, + "a7": 123.163398079562, + "L1": 1.33364639317819, + "sidechain_ARG": 67, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.635478583507, - "bs": 129.0, - "a2": 110.156176821218, - "a5": 120.899726941465, + "ss": "H", + "a3": 111.529830893591, + "bs": 39.0, + "a2": 111.042930622321, + "a5": 119.99678562643, "sidechain_LEU": null, - "chainIndex": 246, + "chainIndex": 497, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.752958962902 + "a4": 108.648538347088 } }, { - "pk": 1231, + "pk": 1230, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.549415714349, - "psi": -36.5980268293693, - "oldID": "468", - "bg": 13.29, + "a6": 114.720958206742, + "psi": -35.4119375355032, + "oldID": "499", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3415300900839, + "protein": "1TWF", + "zeta": 34.4609034981618, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1233, - "sidechain_SER": 59, - "bm": 13.0, + "next": 1231, + "sidechain_SER": null, + "bm": 28.0, "xpr": false, "prev": 1229, "terminal_flag": false, - "phi": -67.174633987958, + "phi": -67.9350956616651, "chainID": "A", "sidechain_GLN": null, - "ome": 176.41086699259, + "ome": -179.849344695298, "chi2": null, "chi3": null, - "chi1": -69.6055973689606, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.891440084575, - "L4": 1.52019210813634, - "L5": 1.23012650888721, - "L2": 1.45288361441768, - "L3": 1.52398488169134, - "a7": 122.40534987516, - "L1": 1.32676375751093, + "a1": 123.229891661532, + "L4": 1.52202312750576, + "L5": 1.2308878341642, + "L2": 1.47509213080917, + "L3": 1.52738026465418, + "a7": 123.109586962704, + "L1": 1.33708054951261, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.75620059217, - "bs": 13.0, - "a2": 109.667633888044, - "a5": 119.974619791323, + "a3": 112.269704023019, + "bs": 27.0, + "a2": 110.142711290483, + "a5": 122.169425536815, "sidechain_LEU": null, - "chainIndex": 467, + "chainIndex": 498, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.762991454858 + "a4": 109.537904819138 } }, { - "pk": 1232, + "pk": 1231, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 64, + "aa": "e", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.565308613846, - "psi": -150.915368911023, - "oldID": "248", - "bg": 138.31, + "a6": 115.444994248544, + "psi": -35.6374733635572, + "oldID": "500", + "bg": 28.87, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.1602864333119, + "zeta": 35.466986846914, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1234, + "next": 1232, "sidechain_SER": null, - "bm": 140.0, + "bm": 30.0, "xpr": false, "prev": 1230, "terminal_flag": false, - "phi": -69.6701811659361, + "phi": -62.4057638910286, "chainID": "A", "sidechain_GLN": null, - "ome": 179.760519039315, - "chi2": -44.249414452971, - "chi3": 36.6045696475466, - "chi1": 34.2887933441032, - "chi4": -15.2625330984459, + "ome": -179.702424510585, + "chi2": 159.683008485484, + "chi3": 65.7217827149757, + "chi1": -137.780873391725, + "chi4": null, "chi5": null, - "a1": 123.321127623801, - "L4": 1.53220158332982, - "L5": 1.23237955772833, - "L2": 1.46788673785379, - "L3": 1.52651745271783, - "a7": 123.361893061784, - "L1": 1.3460907009926, + "a1": 121.949199441975, + "L4": 1.50586456361501, + "L5": 1.23277790609025, + "L2": 1.44355685065848, + "L3": 1.50978702465557, + "a7": 123.089591671939, + "L1": 1.31881659849355, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -0.464561826552116, - "ss": "-", - "a3": 115.508096991885, - "bs": 138.0, - "a2": 102.730934092307, - "a5": 121.067925940858, + "sidechain_GLU": 97, + "omep": null, + "ss": "H", + "a3": 111.386793919386, + "bs": 30.0, + "a2": 108.76454799919, + "a5": 121.45996121757, "sidechain_LEU": null, - "chainIndex": 247, + "chainIndex": 499, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.27720229499 + "a4": 109.852882156398 } }, { - "pk": 1233, + "pk": 1232, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.111905639889, - "psi": -47.8612770713301, - "oldID": "469", - "bg": 13.86, + "a6": 115.562192814111, + "psi": -51.9575727857001, + "oldID": "501", + "bg": 36.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9406820881851, + "protein": "1TWF", + "zeta": 34.7776027970317, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1235, + "next": 1233, "sidechain_SER": null, - "bm": 14.0, + "bm": 32.0, "xpr": false, "prev": 1231, "terminal_flag": false, - "phi": -67.5290674445145, + "phi": -73.3810538399822, "chainID": "A", "sidechain_GLN": null, - "ome": -178.653910243524, - "chi2": 69.5329599511504, + "ome": -178.604975765412, + "chi2": -169.25187436666, "chi3": null, - "chi1": 166.32506261884, + "chi1": -60.6634932716634, "chi4": null, "chi5": null, - "a1": 119.732570431168, - "L4": 1.52707994396619, - "L5": 1.2528209945624, - "L2": 1.46457971207904, - "L3": 1.53311432161594, - "a7": 122.762768867354, - "L1": 1.33731064169184, + "a1": 120.216609447323, + "L4": 1.50743664539205, + "L5": 1.24005281185805, + "L2": 1.44914120257357, + "L3": 1.51945944280612, + "a7": 123.269468421045, + "L1": 1.32197784096859, "sidechain_ARG": null, - "sidechain_TYR": 41, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.288123711774, - "bs": 13.0, - "a2": 110.927988651654, - "a5": 122.121727765472, - "sidechain_LEU": null, - "chainIndex": 468, + "ss": "I", + "a3": 110.432430132151, + "bs": 35.0, + "a2": 110.618084710565, + "a5": 121.165750853293, + "sidechain_LEU": 102, + "chainIndex": 500, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.750924984474 + "a4": 109.316255533794 } }, { - "pk": 1234, + "pk": 1233, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -138051,670 +125886,670 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.274488518217, - "psi": 95.8982070262222, - "oldID": "249", - "bg": 148.28, + "a6": 118.202555354318, + "psi": -23.2366307339008, + "oldID": "502", + "bg": 29.04, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5766776915549, + "zeta": 33.8463105058139, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1236, - "sidechain_SER": 60, - "bm": 149.0, + "next": 1234, + "sidechain_SER": 59, + "bm": 25.0, "xpr": false, "prev": 1232, "terminal_flag": false, - "phi": -166.958907283678, + "phi": -71.5236004709287, "chainID": "A", "sidechain_GLN": null, - "ome": -179.13421581536, + "ome": -178.517314216312, "chi2": null, "chi3": null, - "chi1": 58.7386246441763, + "chi1": 62.2385041008318, "chi4": null, "chi5": null, - "a1": 123.041872537351, - "L4": 1.53190503673594, - "L5": 1.23270501499915, - "L2": 1.46094725366519, - "L3": 1.53656448343259, - "a7": 122.962585480477, - "L1": 1.33112770154806, + "a1": 119.489480609785, + "L4": 1.52226585780988, + "L5": 1.22064596479221, + "L2": 1.439557976346, + "L3": 1.53264540832965, + "a7": 122.561547011795, + "L1": 1.32622907118804, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.26857715832, - "bs": 148.0, - "a2": 110.417778992153, - "a5": 120.762560859644, + "ss": "I", + "a3": 115.27636611701, + "bs": 28.0, + "a2": 110.169390909457, + "a5": 119.235806979579, "sidechain_LEU": null, - "chainIndex": 248, + "chainIndex": 501, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.13679650439 + "a4": 109.577779370571 } }, { - "pk": 1235, + "pk": 1234, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.839232431869, - "psi": -44.7575436274096, - "oldID": "470", - "bg": 15.82, + "a6": 116.782932030858, + "psi": -12.1799394058736, + "oldID": "503", + "bg": 36.46, "sidechain_CYS": null, - "sidechain_ILE": 67, - "protein": "1H0H", - "zeta": 32.2797687944155, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 33.633312205703, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1237, + "next": 1235, "sidechain_SER": null, - "bm": 15.0, + "bm": 26.0, "xpr": false, "prev": 1233, "terminal_flag": false, - "phi": -60.7185932235139, + "phi": -95.2945098639176, "chainID": "A", - "sidechain_GLN": null, - "ome": 176.663711069952, - "chi2": 165.523043184637, - "chi3": null, - "chi1": -71.266959717934, + "sidechain_GLN": 51, + "ome": 178.102280265425, + "chi2": 41.8719896437267, + "chi3": 54.1651970531761, + "chi1": -104.579619437744, "chi4": null, "chi5": null, - "a1": 119.674008035898, - "L4": 1.53535943066435, - "L5": 1.21525825096855, - "L2": 1.45232216828796, - "L3": 1.53632432452484, - "a7": 122.862306471214, - "L1": 1.32691737424783, + "a1": 120.029827923989, + "L4": 1.5163509238176, + "L5": 1.22719003992045, + "L2": 1.44826745169604, + "L3": 1.51700090443286, + "a7": 122.857097977866, + "L1": 1.32939079911392, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.791909259795, - "bs": 16.0, - "a2": 110.473181054416, - "a5": 120.28867707292, + "ss": "I", + "a3": 113.345294259396, + "bs": 38.0, + "a2": 110.079953234143, + "a5": 120.357638417061, "sidechain_LEU": null, - "chainIndex": 469, + "chainIndex": 502, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.528545210068 + "a4": 110.45270766373 } }, { - "pk": 1236, + "pk": 1235, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.0447651376, - "psi": 84.7136987335454, - "oldID": "250", - "bg": 155.27, + "a6": 116.669631249364, + "psi": -46.1459227596204, + "oldID": "504", + "bg": 22.82, "sidechain_CYS": null, - "sidechain_ILE": 68, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8439996714129, + "zeta": 34.9920809481354, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1238, + "next": 1236, "sidechain_SER": null, - "bm": 156.0, + "bm": 24.0, "xpr": false, "prev": 1234, "terminal_flag": false, - "phi": -65.1075845202884, + "phi": -127.183683519231, "chainID": "A", "sidechain_GLN": null, - "ome": 179.931820197255, - "chi2": 172.925785511055, + "ome": -175.596471802996, + "chi2": 1.72520017808413, "chi3": null, - "chi1": -47.8540535667769, + "chi1": -77.4084908446475, "chi4": null, "chi5": null, - "a1": 122.271870800022, - "L4": 1.52687499571529, - "L5": 1.23278510426156, - "L2": 1.46293981820296, - "L3": 1.5448735655184, - "a7": 123.073963456555, - "L1": 1.33282223976188, + "a1": 119.622990188082, + "L4": 1.5193837517655, + "L5": 1.2315161515577, + "L2": 1.43934857396873, + "L3": 1.52228107567141, + "a7": 122.343213190221, + "L1": 1.32789199712301, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.219476343486, - "bs": 155.0, - "a2": 111.130745607463, - "a5": 120.880418858264, - "sidechain_LEU": null, - "chainIndex": 249, + "ss": "I", + "a3": 112.098193928201, + "bs": 24.0, + "a2": 110.908910307077, + "a5": 120.978733195555, + "sidechain_LEU": 103, + "chainIndex": 503, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.261339930431 + "a4": 108.24492247391 } }, { - "pk": 1237, + "pk": 1236, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.333441246016, - "psi": -30.8943762235472, - "oldID": "471", - "bg": 14.32, - "sidechain_CYS": null, + "a6": 117.349016043953, + "psi": -20.9975814579386, + "oldID": "505", + "bg": 29.11, + "sidechain_CYS": 30, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0532682529573, + "protein": "1TWF", + "zeta": 33.8937785964445, "sidechain_PHE": null, - "sidechain_LYS": 81, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1239, + "next": 1237, "sidechain_SER": null, - "bm": 14.0, + "bm": 25.0, "xpr": false, "prev": 1235, "terminal_flag": false, - "phi": -63.7890537329731, + "phi": -88.0657851198395, "chainID": "A", "sidechain_GLN": null, - "ome": 179.430315623846, - "chi2": -60.6255070693485, - "chi3": -171.836806018016, - "chi1": -79.9888497639748, - "chi4": 173.638036143848, + "ome": 179.794896213784, + "chi2": null, + "chi3": null, + "chi1": -38.9083249212517, + "chi4": null, "chi5": null, - "a1": 121.8076577136, - "L4": 1.53172692482401, - "L5": 1.20375220349466, - "L2": 1.46463943862882, - "L3": 1.52621606022013, - "a7": 121.348946895271, - "L1": 1.32593886035845, + "a1": 119.687505489222, + "L4": 1.51638785940448, + "L5": 1.22328201241555, + "L2": 1.45627151241909, + "L3": 1.53051944044813, + "a7": 123.066536128953, + "L1": 1.32701394763452, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.143970951266, - "bs": 14.0, - "a2": 109.786653288885, - "a5": 120.316994326693, + "ss": "I", + "a3": 118.007841760379, + "bs": 27.0, + "a2": 109.32211362463, + "a5": 119.574135489358, "sidechain_LEU": null, - "chainIndex": 470, + "chainIndex": 504, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.806103821948 + "a4": 109.274085220524 } }, { - "pk": 1238, + "pk": 1237, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.533755183809, - "psi": 118.985573255583, - "oldID": "251", - "bg": 162.9, + "a6": 115.534053132843, + "psi": 131.319328966295, + "oldID": "506", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6774958799463, + "zeta": 34.7276296203311, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1240, - "sidechain_SER": 61, - "bm": 162.0, + "next": 1238, + "sidechain_SER": null, + "bm": 24.0, "xpr": false, "prev": 1236, "terminal_flag": false, - "phi": -120.317739143512, + "phi": -36.0359569877409, "chainID": "A", "sidechain_GLN": null, - "ome": -179.87976205196, + "ome": -179.154300326842, "chi2": null, "chi3": null, - "chi1": 62.7280003715449, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.996200714282, - "L4": 1.52917386024478, - "L5": 1.23216267204335, - "L2": 1.45902201896805, - "L3": 1.53599970273216, - "a7": 122.933859887316, - "L1": 1.32963925982946, + "a1": 122.677787330338, + "L4": 1.52912399893215, + "L5": 1.24570602866146, + "L2": 1.46511949051948, + "L3": 1.51961115070284, + "a7": 124.049466077531, + "L1": 1.32610022828162, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.573468807588, - "bs": 162.0, - "a2": 110.179685258161, - "a5": 120.531460832229, + "ss": "B", + "a3": 112.616484196689, + "bs": 23.0, + "a2": 109.119290395715, + "a5": 120.414299393403, "sidechain_LEU": null, - "chainIndex": 250, + "chainIndex": 505, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.871827289635 + "a4": 110.024338133721 } }, { - "pk": 1239, + "pk": 1238, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.637381809962, - "psi": -21.4935669771054, - "oldID": "472", - "bg": 16.51, + "a6": 119.266914370514, + "psi": -47.3474858611142, + "oldID": "507", + "bg": 9.14, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7671690539517, + "protein": "1TWF", + "zeta": 31.989371960035, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 92, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1241, - "sidechain_SER": 62, - "bm": 13.0, + "next": 1239, + "sidechain_SER": null, + "bm": 17.0, "xpr": false, "prev": 1237, "terminal_flag": false, - "phi": -66.3014217571474, + "phi": -44.7240579986701, "chainID": "A", "sidechain_GLN": null, - "ome": 179.701053936192, + "ome": 179.931173092635, "chi2": null, "chi3": null, - "chi1": -50.6280275848705, + "chi1": 160.990962430202, "chi4": null, "chi5": null, - "a1": 119.218851240164, - "L4": 1.52659289288829, - "L5": 1.23791463944065, - "L2": 1.45360292142978, - "L3": 1.53707542223575, - "a7": 122.010996729552, - "L1": 1.32738054886111, + "a1": 123.408624874314, + "L4": 1.53730534782406, + "L5": 1.22211760116815, + "L2": 1.46151768518265, + "L3": 1.6023885396643, + "a7": 121.761819971343, + "L1": 1.33714566790038, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.404092799399, - "bs": 15.0, - "a2": 111.33468963251, - "a5": 121.346521315257, + "ss": "G", + "a3": 113.772130897329, + "bs": 11.0, + "a2": 110.799484563363, + "a5": 118.968771468368, "sidechain_LEU": null, - "chainIndex": 471, + "chainIndex": 506, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.969046035955 + "a4": 112.360412386684 } }, { - "pk": 1240, + "pk": 1239, "model": "pgd_core.residue", "fields": { - "aa": "f", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 75, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.919823268336, - "psi": 105.787100575599, - "oldID": "252", - "bg": 167.72, + "a6": 116.006214311905, + "psi": -35.8090732745692, + "oldID": "508", + "bg": 19.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1534600762347, - "sidechain_PHE": 46, + "zeta": 37.594304246147, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1242, + "next": 1240, "sidechain_SER": null, - "bm": 166.0, + "bm": 19.0, "xpr": false, "prev": 1238, "terminal_flag": false, - "phi": -74.2507342415646, + "phi": -58.1166653014475, "chainID": "A", "sidechain_GLN": null, - "ome": -179.746386927293, - "chi2": 58.8697658472964, - "chi3": null, - "chi1": -83.5645645241733, - "chi4": null, + "ome": -178.85837692729, + "chi2": 43.3774444002259, + "chi3": -39.9956428699614, + "chi1": -30.3569069835249, + "chi4": 21.778897663295, "chi5": null, - "a1": 121.642902122585, - "L4": 1.52620601155477, - "L5": 1.23012371760026, - "L2": 1.46220938221435, - "L3": 1.53237493797468, - "a7": 123.32563446477, - "L1": 1.33186501536736, + "a1": 121.800417895112, + "L4": 1.52777626425326, + "L5": 1.23776346582154, + "L2": 1.47298838355976, + "L3": 1.53400752835805, + "a7": 122.542588165515, + "L1": 1.35243221107918, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.562701428442, - "bs": 167.0, - "a2": 110.352924715008, - "a5": 120.754046270964, + "omep": -4.39529323636464, + "ss": "G", + "a3": 112.574736344205, + "bs": 19.0, + "a2": 103.430970450334, + "a5": 121.441322788187, "sidechain_LEU": null, - "chainIndex": 251, + "chainIndex": 507, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.768762380261 + "a4": 111.770582741122 } }, { - "pk": 1241, + "pk": 1240, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.228183257954, - "psi": -45.0059685410451, - "oldID": "473", - "bg": 16.78, + "a6": 117.537859305458, + "psi": 9.44894080387155, + "oldID": "509", + "bg": 20.37, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.069836705938, + "protein": "1TWF", + "zeta": 34.3875502409047, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 31, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1243, + "next": 1241, "sidechain_SER": null, - "bm": 15.0, + "bm": 19.0, "xpr": false, "prev": 1239, "terminal_flag": false, - "phi": -97.4522780166157, + "phi": -76.6021850169772, "chainID": "A", "sidechain_GLN": null, - "ome": -178.932784695542, - "chi2": 173.111031144846, - "chi3": 50.76040961296, - "chi1": -82.9659614013487, + "ome": -179.703770264031, + "chi2": 164.133326699205, + "chi3": null, + "chi1": -56.2878362844034, "chi4": null, "chi5": null, - "a1": 119.981441224547, - "L4": 1.53255580058525, - "L5": 1.22656416085252, - "L2": 1.4571469027604, - "L3": 1.51355577522363, - "a7": 123.441819044237, - "L1": 1.32418927262046, + "a1": 120.193520335989, + "L4": 1.53622356691391, + "L5": 1.22541691213083, + "L2": 1.45213715692643, + "L3": 1.53834791898485, + "a7": 122.372058224165, + "L1": 1.33053331624891, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.912800163568, - "bs": 16.0, - "a2": 111.486900759147, - "a5": 120.329976100147, - "sidechain_LEU": null, - "chainIndex": 472, + "ss": "G", + "a3": 111.775431435311, + "bs": 19.0, + "a2": 110.783973505966, + "a5": 120.088537824279, + "sidechain_LEU": 104, + "chainIndex": 508, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.013713630679 + "a4": 109.334202312541 } }, { - "pk": 1242, + "pk": 1241, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "q", "sidechain_PRO": null, - "sidechain_ASN": 49, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.207427409769, - "psi": -99.0742270113709, - "oldID": "253", - "bg": 168.86, + "a6": 116.180084019458, + "psi": -13.0457375070197, + "oldID": "510", + "bg": 24.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.6644561121875, + "zeta": 34.336780745764, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1244, + "next": 1242, "sidechain_SER": null, - "bm": 168.0, + "bm": 18.0, "xpr": false, "prev": 1240, "terminal_flag": false, - "phi": 60.6594841841943, + "phi": -119.498033128164, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.938035418166, - "chi2": -69.5663083035232, - "chi3": null, - "chi1": -81.8432833999961, + "sidechain_GLN": 52, + "ome": -178.745702817187, + "chi2": -63.8322973535203, + "chi3": -50.0580532055772, + "chi1": -56.4941290773515, "chi4": null, "chi5": null, - "a1": 122.786002748576, - "L4": 1.5303590403535, - "L5": 1.23212210084869, - "L2": 1.46183458112155, - "L3": 1.5328695481873, - "a7": 122.773999478333, - "L1": 1.33281778734993, + "a1": 120.522521225331, + "L4": 1.53189552648187, + "L5": 1.22801540646358, + "L2": 1.45353375579191, + "L3": 1.53346531837635, + "a7": 123.383701735555, + "L1": 1.33125122831422, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.975490829652, - "bs": 168.0, - "a2": 109.996227191832, - "a5": 120.01851688352, + "ss": "G", + "a3": 114.16692069105, + "bs": 26.0, + "a2": 110.349716382993, + "a5": 120.43412200383, "sidechain_LEU": null, - "chainIndex": 252, + "chainIndex": 509, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.641770660332 + "a4": 109.024622799878 } }, { - "pk": 1243, + "pk": 1242, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.232331916147, - "psi": 72.0023904518445, - "oldID": "474", - "bg": 15.47, + "a6": 116.010026931207, + "psi": -59.2985475136241, + "oldID": "511", + "bg": 21.48, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.6933914803559, + "sidechain_ILE": 67, + "protein": "1TWF", + "zeta": 33.3279432324313, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 18, - "next": 1246, + "sidechain_TRP": null, + "next": 1243, "sidechain_SER": null, - "bm": 15.0, + "bm": 21.0, "xpr": false, "prev": 1241, "terminal_flag": false, - "phi": -128.496597051662, + "phi": -39.8727030017519, "chainID": "A", "sidechain_GLN": null, - "ome": -172.435997480925, - "chi2": -70.1172252589123, + "ome": 178.428871324694, + "chi2": 163.048598553501, "chi3": null, - "chi1": -64.9512181609216, + "chi1": -81.0566477216799, "chi4": null, "chi5": null, - "a1": 122.425448063008, - "L4": 1.53333371581218, - "L5": 1.23147153188934, - "L2": 1.4574954003073, - "L3": 1.52981323274821, - "a7": 121.829924006072, - "L1": 1.32889855807056, + "a1": 123.313497389511, + "L4": 1.52807924804391, + "L5": 1.2399405654482, + "L2": 1.4624693969008, + "L3": 1.56621733042312, + "a7": 122.66922504675, + "L1": 1.33143983161146, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.16656481696, - "bs": 14.0, - "a2": 108.015202914779, - "a5": 121.928210147949, + "ss": "S", + "a3": 111.847045879946, + "bs": 22.0, + "a2": 110.26736684969, + "a5": 121.316017316186, "sidechain_LEU": null, - "chainIndex": 473, + "chainIndex": 510, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.089607303307 + "a4": 111.580273603514 } }, { - "pk": 1244, + "pk": 1243, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.443397119113, - "psi": -166.54356132724, - "oldID": "254", - "bg": 168.26, + "a6": 116.95138938409, + "psi": 109.644950875473, + "oldID": "512", + "bg": 18.82, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3849239763349, + "zeta": 35.2884979555502, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 93, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1245, + "next": 1244, "sidechain_SER": null, - "bm": 168.0, + "bm": 19.0, "xpr": false, "prev": 1242, "terminal_flag": false, - "phi": -134.48937026515, + "phi": -92.079791504856, "chainID": "A", "sidechain_GLN": null, - "ome": 179.720489230923, - "chi2": -171.623626168737, - "chi3": 65.4598544027883, - "chi1": -58.7608968930104, + "ome": -177.854374372217, + "chi2": null, + "chi3": null, + "chi1": 171.980037431372, "chi4": null, "chi5": null, - "a1": 121.552762153352, - "L4": 1.53344998888511, - "L5": 1.23267060276142, - "L2": 1.46680870753084, - "L3": 1.53522462199703, - "a7": 123.743843210972, - "L1": 1.33341981199476, + "a1": 121.841494456312, + "L4": 1.52673144276339, + "L5": 1.22168863610289, + "L2": 1.45496301466207, + "L3": 1.55129660993191, + "a7": 122.32674249309, + "L1": 1.32048903046085, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 97, + "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.035009342487, - "bs": 168.0, - "a2": 110.202581369203, - "a5": 120.812592025478, + "ss": "E", + "a3": 106.03896649215, + "bs": 19.0, + "a2": 110.083468797523, + "a5": 120.715053014684, "sidechain_LEU": null, - "chainIndex": 253, + "chainIndex": 511, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.087621136353 + "a4": 110.517559145727 } }, { - "pk": 1245, + "pk": 1244, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -138722,121 +126557,121 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.589282584317, - "psi": -53.5008061560058, - "oldID": "255", - "bg": 167.42, + "a6": 116.475055183603, + "psi": 150.442674999973, + "oldID": "513", + "bg": 22.92, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.4492854787434, + "zeta": 35.3538196525016, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1247, - "sidechain_SER": 63, - "bm": 166.0, + "next": 1245, + "sidechain_SER": 60, + "bm": 21.0, "xpr": false, - "prev": 1244, + "prev": 1243, "terminal_flag": false, - "phi": 61.693618465547, + "phi": -102.109832490296, "chainID": "A", "sidechain_GLN": null, - "ome": -179.883624442665, + "ome": 179.463014084058, "chi2": null, "chi3": null, - "chi1": 64.6514786422893, + "chi1": 127.324584628651, "chi4": null, "chi5": null, - "a1": 124.586315794376, - "L4": 1.52809970547453, - "L5": 1.23160258803291, - "L2": 1.46876942273391, - "L3": 1.534874666448, - "a7": 122.868606668823, - "L1": 1.33474938469935, + "a1": 120.82962340209, + "L4": 1.52224164056217, + "L5": 1.2273485413362, + "L2": 1.45671707713868, + "L3": 1.53147021782465, + "a7": 121.951396017209, + "L1": 1.32356388656966, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 115.188216833671, - "bs": 167.0, - "a2": 110.611041375524, - "a5": 120.542065140603, + "ss": "E", + "a3": 115.504000745062, + "bs": 24.0, + "a2": 110.140175720557, + "a5": 121.519806368276, "sidechain_LEU": null, - "chainIndex": 254, + "chainIndex": 512, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.508037409319 + "a4": 107.467246377292 } }, { - "pk": 1246, + "pk": 1245, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 65, + "sidechain_PRO": 76, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.623890101745, - "psi": -22.4718022340884, - "oldID": "475", - "bg": 14.47, + "a6": 117.33514668788, + "psi": -14.7156785836584, + "oldID": "514", + "bg": 27.22, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.8612135864035, + "protein": "1TWF", + "zeta": 38.9464826001392, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1248, + "next": 1246, "sidechain_SER": null, - "bm": 15.0, + "bm": 25.0, "xpr": false, - "prev": 1243, + "prev": 1244, "terminal_flag": false, - "phi": -66.0913685935115, + "phi": -73.0326982085239, "chainID": "A", "sidechain_GLN": null, - "ome": -175.355383907452, - "chi2": -20.6439710572457, - "chi3": 17.3110017263526, - "chi1": 15.2205347768092, - "chi4": -7.33875131469608, + "ome": -179.881279306032, + "chi2": -48.7329479018294, + "chi3": 44.7280374947396, + "chi1": 33.9489148427966, + "chi4": -24.3809699227222, "chi5": null, - "a1": 121.562299989209, - "L4": 1.52182521701756, - "L5": 1.21393899460874, - "L2": 1.47034769400918, - "L3": 1.54185961129393, - "a7": 123.700325510151, - "L1": 1.32084504933264, + "a1": 123.175162940795, + "L4": 1.50791837642571, + "L5": 1.226805861767, + "L2": 1.46137978434567, + "L3": 1.5136641796026, + "a7": 122.665632216199, + "L1": 1.338387870054, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 9.69955621394208, + "omep": -8.37054152911561, "ss": "T", - "a3": 112.844788372164, - "bs": 14.0, - "a2": 104.037340045375, - "a5": 118.672699901585, + "a3": 113.37541093535, + "bs": 25.0, + "a2": 103.022521038277, + "a5": 119.978185851602, "sidechain_LEU": null, - "chainIndex": 474, + "chainIndex": 513, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.092980433604 + "a4": 110.05955285519 } }, { - "pk": 1247, + "pk": 1246, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -138844,1158 +126679,1158 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.172658730973, - "psi": 142.847819521468, - "oldID": "256", - "bg": 163.5, + "a6": 116.388897541913, + "psi": -49.0281017903575, + "oldID": "515", + "bg": 41.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7773017332968, + "zeta": 33.7084334803639, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1249, + "next": 1247, "sidechain_SER": null, - "bm": 164.0, + "bm": 29.0, "xpr": false, "prev": 1245, "terminal_flag": false, - "phi": -69.6648569450177, + "phi": -53.7646612412415, "chainID": "A", - "sidechain_GLN": 46, - "ome": 179.894135844758, - "chi2": 176.364214423852, - "chi3": 57.2549500162643, - "chi1": -56.4155302975474, + "sidechain_GLN": 53, + "ome": -179.589484275422, + "chi2": 174.980106760078, + "chi3": -67.1278463464728, + "chi1": 173.100990588457, "chi4": null, "chi5": null, - "a1": 122.545306730662, - "L4": 1.5308321876781, - "L5": 1.2315316257054, - "L2": 1.46051274681627, - "L3": 1.53445556474868, - "a7": 122.910385152645, - "L1": 1.32859256594026, + "a1": 119.027561086129, + "L4": 1.52528497610568, + "L5": 1.24138583925714, + "L2": 1.45169949004116, + "L3": 1.51801638926868, + "a7": 123.067283857877, + "L1": 1.32738584165388, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.546726638517, - "bs": 163.0, - "a2": 109.597507293847, - "a5": 120.916203175676, + "ss": "T", + "a3": 109.531081914052, + "bs": 43.0, + "a2": 110.221170610388, + "a5": 120.512043243883, "sidechain_LEU": null, - "chainIndex": 255, + "chainIndex": 514, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.686039941701 + "a4": 111.405304260447 } }, { - "pk": 1248, + "pk": 1247, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 70, - "a6": 116.748507369618, - "psi": -0.887305609164548, - "oldID": "476", - "bg": 26.82, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.696457926399, + "psi": 33.1628512256556, + "oldID": "516", + "bg": 33.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4583898199334, + "protein": "1TWF", + "zeta": 34.6397453454399, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1250, - "sidechain_SER": null, - "bm": 20.0, + "next": 1248, + "sidechain_SER": 61, + "bm": 26.0, "xpr": false, "prev": 1246, "terminal_flag": false, - "phi": -94.5457073380675, + "phi": -131.530956790881, "chainID": "A", "sidechain_GLN": null, - "ome": -178.059283939805, - "chi2": -40.75980438648, + "ome": -179.015439250529, + "chi2": null, "chi3": null, - "chi1": -60.9667579777393, + "chi1": -58.3984849128797, "chi4": null, "chi5": null, - "a1": 121.107940866228, - "L4": 1.52465773505905, - "L5": 1.23442354254633, - "L2": 1.46934880538141, - "L3": 1.53998749863229, - "a7": 122.662602641112, - "L1": 1.32396929664974, + "a1": 121.955588647309, + "L4": 1.53333777612112, + "L5": 1.22727930697127, + "L2": 1.47228582072688, + "L3": 1.52651897207123, + "a7": 122.327200087031, + "L1": 1.33380936430458, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 113.675492618501, - "bs": 26.0, - "a2": 109.820533711532, - "a5": 120.588882920178, + "a3": 114.061912693053, + "bs": 30.0, + "a2": 108.876749827865, + "a5": 120.961176790644, "sidechain_LEU": null, - "chainIndex": 475, + "chainIndex": 515, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.57701807105 + "a4": 109.948898423673 } }, { - "pk": 1249, + "pk": 1248, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 46, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.572920519182, - "psi": -104.39520232919, - "oldID": "257", - "bg": 161.13, + "a6": 116.052219984973, + "psi": 50.0792511354703, + "oldID": "517", + "bg": 21.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3496149096606, + "zeta": 32.7188809842926, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1251, + "next": 1249, "sidechain_SER": null, - "bm": 161.0, + "bm": 22.0, "xpr": false, "prev": 1247, "terminal_flag": false, - "phi": -82.5559620865009, + "phi": 32.6136966884896, "chainID": "A", "sidechain_GLN": null, - "ome": 179.154026246261, - "chi2": 165.159215977995, - "chi3": -178.240854543212, - "chi1": -49.1819891215831, - "chi4": 174.689233016528, - "chi5": 0.0471171811969635, - "a1": 122.100901945864, - "L4": 1.52513766159425, - "L5": 1.2338065308643, - "L2": 1.46120365638329, - "L3": 1.52785870627798, - "a7": 123.336576017042, - "L1": 1.330477254577, - "sidechain_ARG": 61, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.610298906263, - "bs": 160.0, - "a2": 110.127806657603, - "a5": 121.0903610912, - "sidechain_LEU": null, - "chainIndex": 256, - "sidechain_HIS": null, + "ome": 178.256307571241, + "chi2": 83.0182729994927, + "chi3": null, + "chi1": 63.353436830803, + "chi4": null, + "chi5": null, + "a1": 120.571483723764, + "L4": 1.56361481956615, + "L5": 1.23946409351847, + "L2": 1.44626470796185, + "L3": 1.5634556321619, + "a7": 122.497537215234, + "L1": 1.32437892685032, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "T", + "a3": 112.103799974952, + "bs": 21.0, + "a2": 108.736569132123, + "a5": 121.414224963287, + "sidechain_LEU": null, + "chainIndex": 516, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.11691191564 + "a4": 113.736898631257 } }, { - "pk": 1250, + "pk": 1249, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.346175694907, - "psi": 157.077849742869, - "oldID": "477", - "bg": 0.0, + "a6": 117.340954914857, + "psi": 164.431698036136, + "oldID": "518", + "bg": 28.56, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.8403211428547, + "protein": "1TWF", + "zeta": 34.7147727540196, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 72, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1252, + "next": 1250, "sidechain_SER": null, "bm": 20.0, "xpr": false, "prev": 1248, "terminal_flag": false, - "phi": -101.307929293566, + "phi": -162.368825947643, "chainID": "A", "sidechain_GLN": null, - "ome": 173.799211653528, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": -179.959584254999, + "chi2": -174.540573966513, + "chi3": -77.7822857706961, + "chi1": 55.2812500360911, + "chi4": -74.6448782809003, "chi5": null, - "a1": 121.466242573581, - "L4": 1.50382889828551, - "L5": 1.22477407223808, - "L2": 1.44996594635625, - "L3": 1.51092738067447, - "a7": 121.436184669313, - "L1": 1.32817679159162, + "a1": 123.24550332413, + "L4": 1.50623287136194, + "L5": 1.22403295820314, + "L2": 1.46317626741837, + "L3": 1.5129282779823, + "a7": 121.996638086503, + "L1": 1.33442267613786, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 107.586175339661, - "bs": 20.0, - "a2": 109.509494787846, - "a5": 120.216410674546, + "ss": "E", + "a3": 109.955419833271, + "bs": 30.0, + "a2": 111.765773104813, + "a5": 120.660794138986, "sidechain_LEU": null, - "chainIndex": 476, + "chainIndex": 517, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.491136211124 + "a4": 108.206357181607 } }, { - "pk": 1251, + "pk": 1250, "model": "pgd_core.residue", "fields": { - "aa": "g", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 77, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.010453794826, - "psi": 104.782687692305, - "oldID": "258", - "bg": 0.0, + "a6": 117.607083564758, + "psi": 152.972946457948, + "oldID": "519", + "bg": 25.06, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 37.0448739733554, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1253, + "next": 1251, "sidechain_SER": null, - "bm": 157.0, + "bm": 17.0, "xpr": false, "prev": 1249, "terminal_flag": false, - "phi": 66.6865489147895, + "phi": -61.2890158914309, "chainID": "A", "sidechain_GLN": null, - "ome": 179.216954523318, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 176.352796967203, + "chi2": -23.3284432532937, + "chi3": 22.631996149191, + "chi1": 14.2819941691089, + "chi4": -13.9105885358589, "chi5": null, - "a1": 121.129240159639, - "L4": 1.51379676550333, - "L5": 1.23116670429606, - "L2": 1.44960294243175, - "L3": null, - "a7": 123.302030916444, - "L1": 1.32926380515854, + "a1": 117.104753501306, + "L4": 1.53038239918453, + "L5": 1.22838702509178, + "L2": 1.47845969748767, + "L3": 1.54052085848651, + "a7": 122.688767650626, + "L1": 1.34088706910391, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.459938045348, - "bs": 0.0, - "a2": null, - "a5": 120.686624166986, + "omep": -2.60489507630236, + "ss": "E", + "a3": 112.151951457919, + "bs": 20.0, + "a2": 104.570488992012, + "a5": 119.652780236065, "sidechain_LEU": null, - "chainIndex": 257, + "chainIndex": 518, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 111.559477768075 } }, { - "pk": 1252, + "pk": 1251, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 71, - "a6": 116.198394682351, - "psi": 160.931468471767, - "oldID": "478", - "bg": 28.42, - "sidechain_CYS": null, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.448731742485, + "psi": 4.29681275727493, + "oldID": "520", + "bg": 27.46, + "sidechain_CYS": 31, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.5756465319505, + "protein": "1TWF", + "zeta": 34.2713252501914, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1254, + "next": 1252, "sidechain_SER": null, - "bm": 19.0, + "bm": 21.0, "xpr": false, "prev": 1250, "terminal_flag": false, - "phi": -83.7478235221856, + "phi": -118.803728713915, "chainID": "A", "sidechain_GLN": null, - "ome": -170.238650776531, - "chi2": 65.7450414925679, + "ome": 177.91566382586, + "chi2": null, "chi3": null, - "chi1": 58.2253853119991, + "chi1": 54.3867064467294, "chi4": null, "chi5": null, - "a1": 115.795552262365, - "L4": 1.51354357363767, - "L5": 1.22310937172103, - "L2": 1.44642209107695, - "L3": 1.5124983289015, - "a7": 123.123890561836, - "L1": 1.32165441531951, + "a1": 121.294532951084, + "L4": 1.54039126901717, + "L5": 1.23603574821906, + "L2": 1.4585761944311, + "L3": 1.52697414002153, + "a7": 122.65697696003, + "L1": 1.32726389391706, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.922325811, - "bs": 28.0, - "a2": 113.887066828625, - "a5": 120.676574437165, + "ss": "S", + "a3": 108.480767991691, + "bs": 21.0, + "a2": 112.295572476085, + "a5": 120.815335913957, "sidechain_LEU": null, - "chainIndex": 477, + "chainIndex": 519, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.862692876049 + "a4": 108.740433809533 } }, { - "pk": 1253, + "pk": 1252, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.258911402901, - "psi": 148.625356028665, - "oldID": "259", - "bg": 153.49, + "a6": 116.686541292011, + "psi": 136.629106518132, + "oldID": "521", + "bg": 20.51, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9231271436979, + "zeta": 34.8217468718383, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 32, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1255, + "next": 1253, "sidechain_SER": null, - "bm": 152.0, + "bm": 25.0, "xpr": false, "prev": 1251, "terminal_flag": false, - "phi": -128.347106516654, + "phi": -130.621563433228, "chainID": "A", "sidechain_GLN": null, - "ome": -177.730635901922, - "chi2": 145.216205230272, - "chi3": 55.3233034235603, - "chi1": -82.6962031104285, + "ome": -179.655932730984, + "chi2": 173.266267749912, + "chi3": -117.342033337912, + "chi1": -70.7326309186059, "chi4": null, "chi5": null, - "a1": 122.529766379624, - "L4": 1.52708400994505, - "L5": 1.23192818199576, - "L2": 1.45875519878501, - "L3": 1.53134692179814, - "a7": 123.190732041236, - "L1": 1.32986288314514, + "a1": 122.930834716948, + "L4": 1.54132265864272, + "L5": 1.23354212795301, + "L2": 1.45613731380842, + "L3": 1.52979940849507, + "a7": 122.880364933685, + "L1": 1.32949310025568, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 98, + "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.666040798785, - "bs": 153.0, - "a2": 109.9515589481, - "a5": 120.548580133261, + "a3": 108.658643330445, + "bs": 23.0, + "a2": 110.94592619356, + "a5": 120.419747773968, "sidechain_LEU": null, - "chainIndex": 258, + "chainIndex": 520, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.425133727904 + "a4": 109.291213876472 } }, { - "pk": 1254, + "pk": 1253, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.817860296289, - "psi": -42.023456129744, - "oldID": "479", - "bg": 18.34, + "a6": 117.594590280677, + "psi": -179.050988422941, + "oldID": "522", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2023213570444, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1257, + "next": 1254, "sidechain_SER": null, - "bm": 17.0, + "bm": 27.0, "xpr": false, "prev": 1252, "terminal_flag": false, - "phi": -60.8176846255181, + "phi": -160.073304815377, "chainID": "A", "sidechain_GLN": null, - "ome": 179.23375941894, - "chi2": 164.792745821999, + "ome": -178.962432711161, + "chi2": null, "chi3": null, - "chi1": -69.0032706088059, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.773874732495, - "L4": 1.52042799272766, - "L5": 1.22399315336049, - "L2": 1.45629472097854, - "L3": 1.53167203230693, - "a7": 122.31680615694, - "L1": 1.32075998135652, + "a1": 121.773652227218, + "L4": 1.51943317019763, + "L5": 1.21807423697176, + "L2": 1.45411658353846, + "L3": null, + "a7": 123.157052258344, + "L1": 1.33272081079489, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.255412340048, - "bs": 18.0, - "a2": 110.841002642944, - "a5": 119.846624061098, - "sidechain_LEU": 100, - "chainIndex": 478, + "ss": "-", + "a3": 111.771525586706, + "bs": 0.0, + "a2": null, + "a5": 119.247002036895, + "sidechain_LEU": null, + "chainIndex": 521, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.700927014538 + "a4": null } }, { - "pk": 1255, + "pk": 1254, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 72, - "a6": 115.047453086178, - "psi": 144.785361506673, - "oldID": "260", - "bg": 146.74, + "sidechain_ASP": null, + "a6": 116.469656085978, + "psi": 131.447748464726, + "oldID": "523", + "bg": 30.61, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 68, "protein": "1TWF", - "zeta": 33.4635241156964, + "zeta": 34.0141936049678, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1256, + "next": 1255, "sidechain_SER": null, - "bm": 145.0, + "bm": 34.0, "xpr": false, "prev": 1253, "terminal_flag": false, - "phi": -44.4297744524323, + "phi": -74.0374848456721, "chainID": "A", "sidechain_GLN": null, - "ome": -179.304695495589, - "chi2": -77.4588628941549, + "ome": -177.115183300834, + "chi2": 66.2008415688038, "chi3": null, - "chi1": -166.550738375014, + "chi1": -65.4169256470247, "chi4": null, "chi5": null, - "a1": 122.311903337551, - "L4": 1.52304371246741, - "L5": 1.23325547987613, - "L2": 1.46260632982069, - "L3": 1.53277991871235, - "a7": 123.593437665049, - "L1": 1.33115604659371, + "a1": 122.388902795527, + "L4": 1.5264416064751, + "L5": 1.23028435548292, + "L2": 1.4649339006469, + "L3": 1.56522859489863, + "a7": 122.594490975494, + "L1": 1.33360289772798, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 115.069190839093, - "bs": 146.0, - "a2": 110.283940100984, - "a5": 121.35840726531, + "a3": 111.126671095387, + "bs": 32.0, + "a2": 112.080723614863, + "a5": 120.89090110957, "sidechain_LEU": null, - "chainIndex": 259, + "chainIndex": 522, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.900840824047 + "a4": 109.024159138251 } }, { - "pk": 1256, + "pk": 1255, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 73, - "a6": 117.34611751735, - "psi": -13.8490930271581, - "oldID": "261", - "bg": 138.36, + "sidechain_ASP": null, + "a6": 116.105098165616, + "psi": -172.145984798847, + "oldID": "524", + "bg": 29.24, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.204009435382, + "zeta": 35.0290921052394, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 94, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1258, + "next": 1256, "sidechain_SER": null, - "bm": 137.0, + "bm": 31.0, "xpr": false, - "prev": 1255, + "prev": 1254, "terminal_flag": false, - "phi": -58.4917708990361, + "phi": -123.564194042468, "chainID": "A", "sidechain_GLN": null, - "ome": 178.993871650567, - "chi2": -53.2155834882902, + "ome": -179.160577044165, + "chi2": null, "chi3": null, - "chi1": -60.6512286424971, + "chi1": -52.4679104488746, "chi4": null, "chi5": null, - "a1": 122.867998252873, - "L4": 1.52829638371858, - "L5": 1.23275372903371, - "L2": 1.45645157645296, - "L3": 1.53328051022984, - "a7": 122.547804906665, - "L1": 1.3299647829029, + "a1": 121.266479551612, + "L4": 1.54600658933818, + "L5": 1.23230837745292, + "L2": 1.45535583184709, + "L3": 1.55052722541806, + "a7": 122.811854437316, + "L1": 1.32738657201984, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.017780950977, - "bs": 138.0, - "a2": 109.877795896204, - "a5": 120.10552520213, + "ss": "-", + "a3": 114.711575789802, + "bs": 34.0, + "a2": 108.387125983057, + "a5": 121.08144208925, "sidechain_LEU": null, - "chainIndex": 260, + "chainIndex": 523, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.729267421929 + "a4": 110.011666828702 } }, { - "pk": 1257, + "pk": 1256, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "q", "sidechain_PRO": null, - "sidechain_ASN": 50, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.488904873883, - "psi": -45.700755549528, - "oldID": "480", - "bg": 24.29, + "a6": 116.14416349376, + "psi": -112.690446675306, + "oldID": "525", + "bg": 36.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1841109566023, + "protein": "1TWF", + "zeta": 33.8282915446736, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1259, + "next": 1257, "sidechain_SER": null, - "bm": 19.0, + "bm": 35.0, "xpr": false, - "prev": 1254, + "prev": 1255, "terminal_flag": false, - "phi": -59.6714985266554, + "phi": 20.4484085616986, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.4030607701, - "chi2": 166.040887764323, - "chi3": null, - "chi1": -70.4904663897012, + "sidechain_GLN": 54, + "ome": -176.553646799245, + "chi2": -112.528613235755, + "chi3": -58.9154761551164, + "chi1": -49.4720257904419, "chi4": null, "chi5": null, - "a1": 119.245793777745, - "L4": 1.52963657166319, - "L5": 1.23856472273383, - "L2": 1.45987132451786, - "L3": 1.52591386607712, - "a7": 122.934050450386, - "L1": 1.33337925113364, + "a1": 124.167212295704, + "L4": 1.54139792517551, + "L5": 1.23142211019854, + "L2": 1.47659803620061, + "L3": 1.5270213534228, + "a7": 122.916301588381, + "L1": 1.33325569190596, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.372123119407, - "bs": 24.0, - "a2": 111.367661389374, - "a5": 120.564227896381, + "a3": 120.225715499829, + "bs": 36.0, + "a2": 109.904896046628, + "a5": 120.936180405598, "sidechain_LEU": null, - "chainIndex": 479, + "chainIndex": 524, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.561794407858 + "a4": 107.664249828536 } }, { - "pk": 1258, + "pk": 1257, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.400958555736, - "psi": -18.8316414340794, - "oldID": "262", - "bg": 127.47, + "sidechain_ASP": 82, + "a6": 116.273565444499, + "psi": -58.293543809655, + "oldID": "526", + "bg": 34.18, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9563582952981, + "zeta": 34.1927849756143, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1260, + "next": 1258, "sidechain_SER": null, - "bm": 128.0, + "bm": 37.0, "xpr": false, "prev": 1256, "terminal_flag": false, - "phi": -88.2379541591086, + "phi": -56.7353999857667, "chainID": "A", "sidechain_GLN": null, - "ome": 179.163173501861, - "chi2": -170.665537320339, + "ome": -179.520466347996, + "chi2": -27.9415326168458, "chi3": null, - "chi1": -78.991425423114, + "chi1": -60.5963422278154, "chi4": null, "chi5": null, - "a1": 120.672447229351, - "L4": 1.52354707933338, - "L5": 1.23194900518843, - "L2": 1.46033236276588, - "L3": 1.5327904556319, - "a7": 122.882347662388, - "L1": 1.33145111691173, + "a1": 121.832819862564, + "L4": 1.51078577393806, + "L5": 1.21636474956436, + "L2": 1.46461119087732, + "L3": 1.54173961242187, + "a7": 122.577253672121, + "L1": 1.33322138492925, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.776105385234, - "bs": 127.0, - "a2": 111.297788005124, - "a5": 120.716689047524, - "sidechain_LEU": 101, - "chainIndex": 261, + "a3": 112.605492840313, + "bs": 35.0, + "a2": 112.066788355806, + "a5": 121.149168110936, + "sidechain_LEU": null, + "chainIndex": 525, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.695073853345 + "a4": 108.129295371157 } }, { - "pk": 1259, + "pk": 1258, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.01047613924, - "psi": -40.8555866942271, - "oldID": "481", - "bg": 24.79, + "a6": 116.997686275519, + "psi": -39.2178376223404, + "oldID": "527", + "bg": 34.39, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.0087469862773, + "protein": "1TWF", + "zeta": 35.2914976179255, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 60, "sidechain_TRP": null, - "next": 1261, + "next": 1259, "sidechain_SER": null, - "bm": 18.0, + "bm": 31.0, "xpr": false, "prev": 1257, "terminal_flag": false, - "phi": -68.2958316523896, + "phi": -50.79687694358, "chainID": "A", "sidechain_GLN": null, - "ome": 179.936244167352, - "chi2": -172.64102202436, - "chi3": 32.3568406534084, - "chi1": 72.4176348931126, + "ome": 179.105299037075, + "chi2": null, + "chi3": null, + "chi1": -35.5615303703853, "chi4": null, "chi5": null, - "a1": 120.608963305702, - "L4": 1.53093059208194, - "L5": 1.23856001671071, - "L2": 1.4600330773336, - "L3": 1.54783825787884, - "a7": 123.356842740183, - "L1": 1.33303023354832, + "a1": 120.809351864759, + "L4": 1.51640163711897, + "L5": 1.22556322878078, + "L2": 1.43889298642277, + "L3": 1.48226743535017, + "a7": 122.290044360343, + "L1": 1.31823422068029, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 99, + "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.653664425232, - "bs": 25.0, - "a2": 112.560543982145, - "a5": 120.608122513061, + "a3": 112.211135202031, + "bs": 31.0, + "a2": 110.243853095082, + "a5": 120.694779822311, "sidechain_LEU": null, - "chainIndex": 480, + "chainIndex": 526, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.282249604075 + "a4": 107.99929013829 } }, { - "pk": 1260, + "pk": 1259, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.441412400709, - "psi": -32.969790575927, - "oldID": "263", - "bg": 121.67, + "a6": 117.149658176732, + "psi": -46.6359303990988, + "oldID": "528", + "bg": 32.9, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0044984355722, + "zeta": 33.5672126678992, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 65, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1262, + "next": 1260, "sidechain_SER": null, - "bm": 121.0, + "bm": 31.0, "xpr": false, "prev": 1258, "terminal_flag": false, - "phi": -80.673248078601, + "phi": -68.428436384471, "chainID": "A", "sidechain_GLN": null, - "ome": 179.236904377934, - "chi2": null, + "ome": 179.963261367383, + "chi2": 54.1424367063349, "chi3": null, - "chi1": -49.0643044603178, + "chi1": 177.36321533589, "chi4": null, "chi5": null, - "a1": 121.172185177924, - "L4": 1.52551093027567, - "L5": 1.23313644769331, - "L2": 1.45616264108798, - "L3": 1.53873222823509, - "a7": 123.412745432969, - "L1": 1.3296734233683, + "a1": 119.928337050908, + "L4": 1.53115566746014, + "L5": 1.23030434232217, + "L2": 1.45042098961849, + "L3": 1.53593976988042, + "a7": 123.114175308534, + "L1": 1.32197245540937, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 107.785782492783, - "bs": 121.0, - "a2": 111.537605352566, - "a5": 121.145360767035, - "sidechain_LEU": null, - "chainIndex": 262, + "a3": 109.509794803832, + "bs": 31.0, + "a2": 110.847170432373, + "a5": 119.696723909574, + "sidechain_LEU": 105, + "chainIndex": 527, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.858473255775 + "a4": 111.177154426786 } }, { - "pk": 1261, + "pk": 1260, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.797661018815, - "psi": -34.7891824897718, - "oldID": "482", - "bg": 0.0, - "sidechain_CYS": null, + "a6": 116.037726488587, + "psi": -45.6040956381097, + "oldID": "529", + "bg": 36.34, + "sidechain_CYS": 32, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0129081267521, + "protein": "1TWF", + "zeta": 34.4931992372358, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1263, + "next": 1261, "sidechain_SER": null, - "bm": 17.0, + "bm": 31.0, "xpr": false, "prev": 1259, "terminal_flag": false, - "phi": -66.7514117029461, + "phi": -65.4207104945425, "chainID": "A", "sidechain_GLN": null, - "ome": 178.444006624965, + "ome": 179.790608113865, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 175.03456208702, "chi4": null, "chi5": null, - "a1": 121.508976653248, - "L4": 1.52660007110607, - "L5": 1.22421926092174, - "L2": 1.46219942140637, - "L3": 1.50328564968035, - "a7": 122.292291569382, - "L1": 1.32939596992044, + "a1": 122.688722786728, + "L4": 1.51811649242511, + "L5": 1.22820315539303, + "L2": 1.46838222024898, + "L3": 1.53252237628553, + "a7": 122.895321077759, + "L1": 1.33751597567299, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.864777901094, - "bs": 16.0, - "a2": 110.564537992897, - "a5": 120.868092239814, + "a3": 108.981903373104, + "bs": 34.0, + "a2": 110.836392273235, + "a5": 121.054957897077, "sidechain_LEU": null, - "chainIndex": 481, + "chainIndex": 528, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.035209953665 + "a4": 109.901863832118 } }, { - "pk": 1262, + "pk": 1261, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.695166965871, - "psi": -37.4085819206189, - "oldID": "264", - "bg": 114.9, + "a6": 118.534586491747, + "psi": -27.9754043270268, + "oldID": "530", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0570986209363, - "sidechain_PHE": 47, + "zeta": null, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1264, + "next": 1262, "sidechain_SER": null, - "bm": 114.0, + "bm": 34.0, "xpr": false, "prev": 1260, "terminal_flag": false, - "phi": -63.8203532498746, + "phi": -68.5557760743962, "chainID": "A", "sidechain_GLN": null, - "ome": -179.93333985189, - "chi2": 2.94255175952185, + "ome": -177.679567343802, + "chi2": null, "chi3": null, - "chi1": -71.2040696195689, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.369949772944, - "L4": 1.52032039090609, - "L5": 1.23098080342631, - "L2": 1.45768387271365, - "L3": 1.53570251805122, - "a7": 123.236522252285, - "L1": 1.33160519024633, + "a1": 119.721953452692, + "L4": 1.52224331240362, + "L5": 1.23158487316885, + "L2": 1.44518632648665, + "L3": null, + "a7": 121.984689097427, + "L1": 1.32401713103924, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 108.856423030961, - "bs": 115.0, - "a2": 110.647096177107, - "a5": 121.068218153229, + "a3": 114.95205293738, + "bs": 0.0, + "a2": null, + "a5": 119.473988209804, "sidechain_LEU": null, - "chainIndex": 263, + "chainIndex": 529, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.38519829188 + "a4": null } }, { - "pk": 1263, + "pk": 1262, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.285021266583, - "psi": -35.5723472374711, - "oldID": "483", - "bg": 16.43, + "a6": 116.122225161433, + "psi": -32.4136623269491, + "oldID": "531", + "bg": 41.51, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.967010088001, + "sidechain_ILE": 69, + "protein": "1TWF", + "zeta": 32.7444260447873, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1265, + "next": 1263, "sidechain_SER": null, - "bm": 17.0, + "bm": 41.0, "xpr": false, "prev": 1261, "terminal_flag": false, - "phi": -61.5613422775012, + "phi": -72.331394233303, "chainID": "A", "sidechain_GLN": null, - "ome": 179.412011971578, - "chi2": 77.0628250643557, + "ome": 179.701180690038, + "chi2": 166.039790539237, "chi3": null, - "chi1": 170.597321066106, + "chi1": -156.256558288245, "chi4": null, "chi5": null, - "a1": 120.450328375589, - "L4": 1.51784201578163, - "L5": 1.23294601781018, - "L2": 1.4574062033916, - "L3": 1.53906751968605, - "a7": 122.80855073226, - "L1": 1.32344726167942, + "a1": 119.029807756679, + "L4": 1.52002963099661, + "L5": 1.23251142460817, + "L2": 1.46730778255905, + "L3": 1.56405458201145, + "a7": 123.12467774516, + "L1": 1.3333629392139, "sidechain_ARG": null, - "sidechain_TYR": 42, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.146268927673, - "bs": 17.0, - "a2": 111.755690768591, - "a5": 120.901500711682, + "a3": 112.055246872822, + "bs": 41.0, + "a2": 112.525800705486, + "a5": 120.732858459009, "sidechain_LEU": null, - "chainIndex": 482, + "chainIndex": 530, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.853382172619 + "a4": 110.003483507766 } }, { - "pk": 1264, + "pk": 1263, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.237553516696, - "psi": -41.7765319014079, - "oldID": "265", - "bg": 106.43, + "a6": 116.48745865652, + "psi": -41.1136754077596, + "oldID": "532", + "bg": 45.6, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8804986994368, + "zeta": 34.7948368101542, "sidechain_PHE": null, - "sidechain_LYS": 82, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1266, + "next": 1264, "sidechain_SER": null, - "bm": 106.0, + "bm": 44.0, "xpr": false, "prev": 1262, "terminal_flag": false, - "phi": -70.8291610329337, + "phi": -68.0401307273844, "chainID": "A", "sidechain_GLN": null, - "ome": 179.52056202766, - "chi2": 63.2803327708395, - "chi3": -175.033256576074, - "chi1": -168.994264659546, - "chi4": 178.868380552395, - "chi5": null, - "a1": 121.797579607323, - "L4": 1.52505901581226, - "L5": 1.22907051833947, - "L2": 1.45364568891842, - "L3": 1.52880509431109, - "a7": 122.826360423404, - "L1": 1.32901153422926, - "sidechain_ARG": null, + "ome": -179.68207071188, + "chi2": -164.969497784541, + "chi3": 162.298928324308, + "chi1": 170.132698007985, + "chi4": -87.2639772570243, + "chi5": -0.37072033424067, + "a1": 120.66893149622, + "L4": 1.52514508176171, + "L5": 1.22768233446444, + "L2": 1.44952176259459, + "L3": 1.52449386744592, + "a7": 122.542981764097, + "L1": 1.32852868819712, + "sidechain_ARG": 68, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.81125926649, - "bs": 106.0, - "a2": 109.977991238358, - "a5": 120.935977237957, + "a3": 111.566427102311, + "bs": 53.0, + "a2": 111.271304605655, + "a5": 120.942015042011, "sidechain_LEU": null, - "chainIndex": 264, + "chainIndex": 531, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.973094690732 + "a4": 108.240230347877 } }, { - "pk": 1265, + "pk": 1264, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.250048925755, - "psi": -19.3205650396899, - "oldID": "484", - "bg": 0.0, + "a6": 116.099704075559, + "psi": -41.5611377663637, + "oldID": "533", + "bg": 50.52, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.0421823117149, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 73, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1267, + "next": 1265, "sidechain_SER": null, - "bm": 16.0, + "bm": 45.0, "xpr": false, "prev": 1263, "terminal_flag": false, - "phi": -69.2690327757845, + "phi": -66.59423492158, "chainID": "A", "sidechain_GLN": null, - "ome": 176.773139655855, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.516521955386, + "chi2": -173.262832707055, + "chi3": 72.1127026994231, + "chi1": -58.6171487516165, + "chi4": -134.247276084944, "chi5": null, - "a1": 121.226363456722, - "L4": 1.51762909839099, - "L5": 1.23411594948824, - "L2": 1.45106945667861, - "L3": null, - "a7": 122.956248925738, - "L1": 1.32136507970806, + "a1": 120.032948338407, + "L4": 1.5171271512571, + "L5": 1.22714674666789, + "L2": 1.4484932342103, + "L3": 1.52440738991533, + "a7": 122.986599495636, + "L1": 1.32463979975033, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.804442417221, - "bs": 0.0, - "a2": null, - "a5": 119.791574378937, + "a3": 108.681451337992, + "bs": 52.0, + "a2": 110.226217866241, + "a5": 120.888442553113, "sidechain_LEU": null, - "chainIndex": 483, + "chainIndex": 532, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 111.316757353075 } }, { - "pk": 1266, + "pk": 1265, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -140003,3492 +127838,3553 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.693764374761, - "psi": -32.2121950639223, - "oldID": "266", - "bg": 99.56, + "a6": 116.748138957968, + "psi": -38.5620887999574, + "oldID": "534", + "bg": 41.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1823645688438, + "zeta": 34.7454716414399, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1268, + "next": 1266, "sidechain_SER": null, - "bm": 101.0, + "bm": 44.0, "xpr": false, "prev": 1264, "terminal_flag": false, - "phi": -59.9982810148324, + "phi": -57.8037478904992, "chainID": "A", "sidechain_GLN": null, - "ome": 179.948071350962, - "chi2": 169.477108422569, + "ome": -176.549242820984, + "chi2": 67.39240033218, "chi3": null, - "chi1": -67.2738692025083, + "chi1": -179.492827753325, "chi4": null, "chi5": null, - "a1": 121.299257137658, - "L4": 1.51594546007188, - "L5": 1.22956516442361, - "L2": 1.45352257721674, - "L3": 1.52499871158762, - "a7": 123.425991933647, - "L1": 1.3280516670014, + "a1": 121.229332941766, + "L4": 1.53943231927586, + "L5": 1.2283188887604, + "L2": 1.4519702785143, + "L3": 1.53009836891508, + "a7": 123.128088094657, + "L1": 1.32469313809351, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 108.909848920414, - "bs": 99.0, - "a2": 110.13836242739, - "a5": 120.879175491668, - "sidechain_LEU": 102, - "chainIndex": 265, + "a3": 113.910051375609, + "bs": 40.0, + "a2": 109.506486103935, + "a5": 120.101632551198, + "sidechain_LEU": 106, + "chainIndex": 533, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.617425294441 + "a4": 109.35152844601 } }, { - "pk": 1267, + "pk": 1266, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.052607331592, - "psi": -22.6037749489483, - "oldID": "485", - "bg": 16.24, + "a6": 116.280220499466, + "psi": -10.3790878187823, + "oldID": "535", + "bg": 51.92, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8145602840048, + "protein": "1TWF", + "zeta": 34.5842625613707, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 61, "sidechain_TRP": null, - "next": 1269, + "next": 1267, "sidechain_SER": null, - "bm": 17.0, + "bm": 47.0, "xpr": false, "prev": 1265, "terminal_flag": false, - "phi": -73.3097881431325, + "phi": -80.2098313824341, "chainID": "A", "sidechain_GLN": null, - "ome": -179.013060425849, - "chi2": -19.7010778090338, + "ome": 178.59342060669, + "chi2": null, "chi3": null, - "chi1": -66.0662181312311, + "chi1": -29.6580548368086, "chi4": null, "chi5": null, - "a1": 120.712411700046, - "L4": 1.54365346018517, - "L5": 1.23153755872069, - "L2": 1.45983901569215, - "L3": 1.52448340424037, - "a7": 122.849401086204, - "L1": 1.33263256380529, + "a1": 123.85578315795, + "L4": 1.53142366898701, + "L5": 1.23534009503142, + "L2": 1.47117246546139, + "L3": 1.54425905148091, + "a7": 122.859082094262, + "L1": 1.33265849325453, "sidechain_ARG": null, - "sidechain_TYR": 43, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.842486616731, - "bs": 17.0, - "a2": 111.563653993233, - "a5": 120.094675501628, + "a3": 118.471556948932, + "bs": 51.0, + "a2": 110.459816443162, + "a5": 120.842951133247, "sidechain_LEU": null, - "chainIndex": 484, + "chainIndex": 534, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.65258277205 + "a4": 107.099264413576 } }, { - "pk": 1268, + "pk": 1267, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.224485225476, - "psi": -55.8498687283309, - "oldID": "267", - "bg": 0.0, + "a6": 117.604853255613, + "psi": 145.188371539917, + "oldID": "536", + "bg": 50.76, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4997703931243, + "zeta": 36.0571163944823, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1270, + "next": 1268, "sidechain_SER": null, - "bm": 101.0, + "bm": 49.0, "xpr": false, "prev": 1266, "terminal_flag": false, - "phi": -64.6525371448018, + "phi": -60.8343410875156, "chainID": "A", "sidechain_GLN": null, - "ome": 179.623330910747, - "chi2": null, + "ome": 179.351584789269, + "chi2": 171.442883269086, "chi3": null, - "chi1": null, + "chi1": -66.3866170301776, "chi4": null, "chi5": null, - "a1": 121.792713164991, - "L4": 1.52279831944767, - "L5": 1.23354371527903, - "L2": 1.45614861375648, - "L3": 1.52214854157846, - "a7": 123.277164963009, - "L1": 1.32866127367325, + "a1": 122.011771933506, + "L4": 1.52690980440763, + "L5": 1.22928442861521, + "L2": 1.45475117795357, + "L3": 1.52349865925598, + "a7": 122.888577395756, + "L1": 1.32485847477159, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.239939372933, - "bs": 101.0, - "a2": 110.124439592193, - "a5": 120.498111578426, - "sidechain_LEU": null, - "chainIndex": 266, + "ss": "S", + "a3": 108.784539820324, + "bs": 49.0, + "a2": 109.248409834594, + "a5": 119.506242937998, + "sidechain_LEU": 107, + "chainIndex": 535, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.171193121597 + "a4": 109.126557622387 } }, { - "pk": 1269, + "pk": 1268, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.360196941054, - "psi": 131.28299467103, - "oldID": "486", - "bg": 18.48, + "a6": 116.72016489899, + "psi": -51.7553576237254, + "oldID": "537", + "bg": 53.15, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.57883553285, + "protein": "1TWF", + "zeta": 34.9859176070862, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1271, + "next": 1269, "sidechain_SER": null, - "bm": 15.0, + "bm": 51.0, "xpr": false, "prev": 1267, "terminal_flag": false, - "phi": -72.660214316104, + "phi": -54.4420537778201, "chainID": "A", "sidechain_GLN": null, - "ome": -179.642824466343, - "chi2": 173.166525108376, - "chi3": null, - "chi1": -73.8523004763091, - "chi4": null, - "chi5": null, - "a1": 121.639170523969, - "L4": 1.51377121102859, - "L5": 1.23102424862946, - "L2": 1.45907425465464, - "L3": 1.52644569582904, - "a7": 122.087801145709, - "L1": 1.32879429089511, - "sidechain_ARG": null, + "ome": -178.638015093307, + "chi2": -158.572076372178, + "chi3": -147.882938068495, + "chi1": -68.3970358348845, + "chi4": -72.4339625109482, + "chi5": -0.164661487995094, + "a1": 121.412129911574, + "L4": 1.52235872074341, + "L5": 1.22786660659227, + "L2": 1.47113231083133, + "L3": 1.54078819291324, + "a7": 122.84816925712, + "L1": 1.33644356871362, + "sidechain_ARG": 69, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.962207279293, - "bs": 19.0, - "a2": 110.743726670271, - "a5": 119.543293323327, - "sidechain_LEU": 103, - "chainIndex": 485, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.886963739307 - } + "ss": "T", + "a3": 111.061478647073, + "bs": 54.0, + "a2": 112.594714818573, + "a5": 120.428484896492, + "sidechain_LEU": null, + "chainIndex": 536, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 106.824422128657 + } }, { - "pk": 1270, + "pk": 1269, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 74, - "a6": 116.82454052656, - "psi": -34.4421487056069, - "oldID": "268", - "bg": 103.32, + "sidechain_ASP": 83, + "a6": 117.474247854109, + "psi": -10.3825893775832, + "oldID": "538", + "bg": 58.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.8925355865893, + "zeta": 34.5940820650727, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1272, + "next": 1270, "sidechain_SER": null, - "bm": 99.0, + "bm": 49.0, "xpr": false, "prev": 1268, "terminal_flag": false, - "phi": -60.4737785445834, + "phi": -55.9255240241652, "chainID": "A", "sidechain_GLN": null, - "ome": 178.58096692431, - "chi2": -55.3137179762377, + "ome": -178.913606863565, + "chi2": -29.7597343756388, "chi3": null, - "chi1": -87.0248574516069, + "chi1": -69.334797456086, "chi4": null, "chi5": null, - "a1": 121.801187951282, - "L4": 1.52999348450374, - "L5": 1.2320438660216, - "L2": 1.45847389216286, - "L3": 1.53166826625657, - "a7": 122.600504925992, - "L1": 1.33073810523591, + "a1": 120.776794072026, + "L4": 1.5011260636305, + "L5": 1.22067217611181, + "L2": 1.45905201275514, + "L3": 1.52640754755279, + "a7": 122.35707832606, + "L1": 1.33067211490217, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.913545751543, - "bs": 103.0, - "a2": 110.485198334308, - "a5": 120.574953639918, + "ss": "T", + "a3": 113.68777010674, + "bs": 58.0, + "a2": 111.664623049614, + "a5": 120.165824992666, "sidechain_LEU": null, - "chainIndex": 267, + "chainIndex": 537, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.203072321847 + "a4": 107.554511958049 } }, { - "pk": 1271, + "pk": 1270, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 66, + "aa": "t", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.486714600603, - "psi": 141.630268715053, - "oldID": "487", - "bg": 13.96, + "a6": 115.289280545596, + "psi": 108.90872919996, + "oldID": "539", + "bg": 45.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.1237298773849, + "protein": "1TWF", + "zeta": 33.9275441820598, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 62, "sidechain_TRP": null, - "next": 1273, + "next": 1271, "sidechain_SER": null, - "bm": 14.0, + "bm": 45.0, "xpr": false, "prev": 1269, "terminal_flag": false, - "phi": -68.5884552652069, + "phi": -84.8052516124557, "chainID": "A", "sidechain_GLN": null, - "ome": 178.894413111335, - "chi2": -26.8057591994958, - "chi3": 20.5839826247964, - "chi1": 21.9490636838936, - "chi4": -6.89001076576446, + "ome": 179.649153197155, + "chi2": null, + "chi3": null, + "chi1": -58.2717542449805, + "chi4": null, "chi5": null, - "a1": 119.51861444657, - "L4": 1.52624926092853, - "L5": 1.24496893006311, - "L2": 1.46224212206993, - "L3": 1.53070893866469, - "a7": 123.623139311209, - "L1": 1.32795735136544, + "a1": 118.261231904006, + "L4": 1.51718232809815, + "L5": 1.23179363561172, + "L2": 1.44625867876348, + "L3": 1.5106197117699, + "a7": 123.579962626803, + "L1": 1.32115158294494, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 2.79645409322836, + "omep": null, "ss": "-", - "a3": 109.598007325243, - "bs": 14.0, - "a2": 104.048612850459, - "a5": 119.890110423306, + "a3": 114.453384422341, + "bs": 44.0, + "a2": 111.360765991906, + "a5": 121.124894002045, "sidechain_LEU": null, - "chainIndex": 486, + "chainIndex": 538, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.036119459397 + "a4": 108.313483315175 } }, { - "pk": 1272, + "pk": 1271, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.258957552228, - "psi": -51.6615080210074, - "oldID": "269", - "bg": 95.16, + "a6": 117.48918760962, + "psi": 156.543893412001, + "oldID": "540", + "bg": 41.37, "sidechain_CYS": null, - "sidechain_ILE": 69, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.4291060670418, - "sidechain_PHE": null, + "zeta": 34.9441321297284, + "sidechain_PHE": 50, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1274, + "next": 1272, "sidechain_SER": null, - "bm": 96.0, + "bm": 45.0, "xpr": false, "prev": 1270, "terminal_flag": false, - "phi": -61.2346056861838, + "phi": -121.286935099206, "chainID": "A", "sidechain_GLN": null, - "ome": -179.446960181255, - "chi2": -177.131745539299, + "ome": 179.618601278875, + "chi2": -79.3263055178174, "chi3": null, - "chi1": -71.6617340754872, + "chi1": -62.3702713839212, "chi4": null, "chi5": null, - "a1": 120.976334880182, - "L4": 1.51858312323706, - "L5": 1.23092418088263, - "L2": 1.45548324045974, - "L3": 1.54629161459273, - "a7": 123.42501785203, - "L1": 1.32928686622723, + "a1": 122.365230888976, + "L4": 1.52754850340344, + "L5": 1.22717414777015, + "L2": 1.46027238280944, + "L3": 1.5311185948496, + "a7": 122.198776907725, + "L1": 1.33006576385497, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 106.76448512896, - "bs": 95.0, - "a2": 111.728267769771, - "a5": 121.311755582693, + "ss": "E", + "a3": 109.983080333251, + "bs": 42.0, + "a2": 109.729666387449, + "a5": 120.309225918972, "sidechain_LEU": null, - "chainIndex": 268, + "chainIndex": 539, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.415812068159 + "a4": 110.050660020993 } }, { - "pk": 1273, + "pk": 1272, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.303239795452, - "psi": 128.194138643065, - "oldID": "488", - "bg": 18.57, + "a6": 116.566604743562, + "psi": 140.805099829974, + "oldID": "541", + "bg": 53.73, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7649031512513, + "sidechain_ILE": 70, + "protein": "1TWF", + "zeta": 34.8921622350104, "sidechain_PHE": null, - "sidechain_LYS": 83, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1275, + "next": 1273, "sidechain_SER": null, - "bm": 15.0, + "bm": 53.0, "xpr": false, "prev": 1271, "terminal_flag": false, - "phi": -108.579102312011, + "phi": -135.620291106157, "chainID": "A", "sidechain_GLN": null, - "ome": 178.083605230662, - "chi2": -159.538328557686, - "chi3": 152.182461453701, - "chi1": -42.7743761046416, - "chi4": 18.5668830017435, + "ome": -179.469288965537, + "chi2": 92.8182045556578, + "chi3": null, + "chi1": -51.0483059509304, + "chi4": null, "chi5": null, - "a1": 120.579356771834, - "L4": 1.51840867496142, - "L5": 1.22973511411843, - "L2": 1.45631788171493, - "L3": 1.5211981571913, - "a7": 122.942354971891, - "L1": 1.33131441079112, + "a1": 119.840237691295, + "L4": 1.51719526401379, + "L5": 1.22889353107605, + "L2": 1.46180929787059, + "L3": 1.54017979622371, + "a7": 122.661041342091, + "L1": 1.3285573029866, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.262711544825, - "bs": 21.0, - "a2": 109.528673360285, - "a5": 120.75216840439, + "ss": "E", + "a3": 112.543889084927, + "bs": 53.0, + "a2": 112.407015736902, + "a5": 120.744846591378, "sidechain_LEU": null, - "chainIndex": 487, + "chainIndex": 540, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.801763184705 + "a4": 106.787362387067 } }, { - "pk": 1274, + "pk": 1273, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.57184997733, - "psi": -41.6057409823867, - "oldID": "270", - "bg": 97.36, + "a6": 116.007005865018, + "psi": 155.20330625066, + "oldID": "542", + "bg": 66.76, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7303296811546, + "zeta": 34.1508640065787, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1276, + "next": 1274, "sidechain_SER": null, - "bm": 95.0, + "bm": 58.0, "xpr": false, "prev": 1272, "terminal_flag": false, - "phi": -60.702469039479, + "phi": -84.7860016828487, "chainID": "A", "sidechain_GLN": null, - "ome": 179.404621089079, - "chi2": 47.5311866090464, - "chi3": null, - "chi1": -165.943189971904, + "ome": -178.934450901814, + "chi2": 168.149789186349, + "chi3": 70.8876322461206, + "chi1": -47.2608882057856, "chi4": null, "chi5": null, - "a1": 122.08839281095, - "L4": 1.52144205319715, - "L5": 1.23104615163254, - "L2": 1.45071489730374, - "L3": 1.52657004493157, - "a7": 122.798320601899, - "L1": 1.32698695904163, + "a1": 120.26540379348, + "L4": 1.52991624189065, + "L5": 1.22839206985393, + "L2": 1.45047367627284, + "L3": 1.52440813476646, + "a7": 123.11871456854, + "L1": 1.32519101145046, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 98, "omep": null, - "ss": "H", - "a3": 111.022991796633, - "bs": 97.0, - "a2": 109.293085830393, - "a5": 120.629818089332, - "sidechain_LEU": 104, - "chainIndex": 269, + "ss": "E", + "a3": 112.934790922399, + "bs": 68.0, + "a2": 109.254821117114, + "a5": 120.874065583819, + "sidechain_LEU": null, + "chainIndex": 541, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.542884590899 + "a4": 110.72084511953 } }, { - "pk": 1275, + "pk": 1274, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.752040142428, - "psi": 145.253432591189, - "oldID": "489", - "bg": 0.0, + "a6": 116.562631327958, + "psi": -51.775999626964, + "oldID": "543", + "bg": 58.89, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.3016301765598, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1277, + "next": 1275, "sidechain_SER": null, - "bm": 15.0, + "bm": 59.0, "xpr": false, "prev": 1273, "terminal_flag": false, - "phi": -71.4566375485545, + "phi": -38.7089600093915, "chainID": "A", "sidechain_GLN": null, - "ome": 175.512846178382, - "chi2": null, + "ome": -178.688270997472, + "chi2": 63.0140697906732, "chi3": null, - "chi1": null, + "chi1": 166.72825048872, "chi4": null, "chi5": null, - "a1": 120.927578937251, - "L4": 1.52870234102402, - "L5": 1.22477210863361, - "L2": 1.44944682832419, - "L3": null, - "a7": 122.885467516598, - "L1": 1.32887270034361, + "a1": 122.633101832807, + "L4": 1.5275434717932, + "L5": 1.23267825757202, + "L2": 1.46169381109721, + "L3": 1.52924897141381, + "a7": 122.928122843533, + "L1": 1.33179875885792, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 112.832978512739, - "bs": 0.0, - "a2": null, - "a5": 120.352058756097, - "sidechain_LEU": null, - "chainIndex": 488, + "ss": "H", + "a3": 115.415851974588, + "bs": 59.0, + "a2": 109.872288355438, + "a5": 120.507148730372, + "sidechain_LEU": 108, + "chainIndex": 542, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.060208373911 } }, { - "pk": 1276, + "pk": 1275, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.071503120324, - "psi": -64.6838524005814, - "oldID": "271", - "bg": 95.64, + "sidechain_ASP": 84, + "a6": 116.430147761331, + "psi": -45.6030185786995, + "oldID": "544", + "bg": 63.72, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.81090063003, + "zeta": 33.7965403584742, "sidechain_PHE": null, - "sidechain_LYS": 84, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1278, + "next": 1276, "sidechain_SER": null, - "bm": 94.0, + "bm": 59.0, "xpr": false, "prev": 1274, "terminal_flag": false, - "phi": -53.049826644331, + "phi": -46.9446410017117, "chainID": "A", "sidechain_GLN": null, - "ome": 179.500278012007, - "chi2": -176.718294193544, - "chi3": 179.217359312718, - "chi1": -69.7538078421233, - "chi4": 179.108595626925, + "ome": -179.629433949189, + "chi2": -46.4300859787186, + "chi3": null, + "chi1": 72.64590125457, + "chi4": null, "chi5": null, - "a1": 120.910008208542, - "L4": 1.51954547624845, - "L5": 1.23404331800592, - "L2": 1.4573979228884, - "L3": 1.52707352198229, - "a7": 123.253826095239, - "L1": 1.32809755035989, + "a1": 122.41290665402, + "L4": 1.52320491528676, + "L5": 1.23359550711137, + "L2": 1.46426885286968, + "L3": 1.54010153322328, + "a7": 122.853613701141, + "L1": 1.33162410465807, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.353955033864, - "bs": 96.0, - "a2": 110.421869326282, - "a5": 120.67466930788, + "a3": 113.747714077872, + "bs": 63.0, + "a2": 110.402275961784, + "a5": 120.713226050689, "sidechain_LEU": null, - "chainIndex": 270, + "chainIndex": 543, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.455963663308 + "a4": 109.886406454669 } }, { - "pk": 1277, + "pk": 1276, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.723095936628, - "psi": 140.271607615321, - "oldID": "490", - "bg": 20.4, + "a6": 117.544395206117, + "psi": -38.0832947300073, + "oldID": "545", + "bg": 58.52, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.7136816514309, + "protein": "1TWF", + "zeta": 33.562852858448, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1279, + "next": 1277, "sidechain_SER": null, - "bm": 17.0, + "bm": 55.0, "xpr": false, "prev": 1275, "terminal_flag": false, - "phi": -56.9452406485673, + "phi": -83.3203025158813, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.243865096197, - "chi2": -52.8458207463078, - "chi3": -71.2546421690417, - "chi1": -81.3571731241822, + "sidechain_GLN": 55, + "ome": 178.670366313574, + "chi2": 171.516630376478, + "chi3": 53.632622005151, + "chi1": -165.686320356313, "chi4": null, "chi5": null, - "a1": 121.544417657161, - "L4": 1.51099148512482, - "L5": 1.22489868414866, - "L2": 1.45915907329783, - "L3": 1.52214595184684, - "a7": 122.682411732872, - "L1": 1.3320936422137, + "a1": 120.361909736594, + "L4": 1.52939530110201, + "L5": 1.22981116959219, + "L2": 1.44711965079015, + "L3": 1.52524344795622, + "a7": 122.67877508233, + "L1": 1.32558911711483, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 100, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 106.216089047699, - "bs": 20.0, - "a2": 110.230731147411, - "a5": 119.558558551755, + "ss": "H", + "a3": 113.416868775313, + "bs": 59.0, + "a2": 110.359645871773, + "a5": 119.776056514219, "sidechain_LEU": null, - "chainIndex": 489, + "chainIndex": 544, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.699598881946 + "a4": 110.268419742301 } }, { - "pk": 1278, + "pk": 1277, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.548918164257, - "psi": -40.6102284482977, - "oldID": "272", - "bg": 0.0, + "a6": 117.44937809547, + "psi": -41.1488441128707, + "oldID": "546", + "bg": 51.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5140016788394, + "zeta": 34.6473873499607, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 95, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1280, + "next": 1278, "sidechain_SER": null, - "bm": 92.0, + "bm": 50.0, "xpr": false, "prev": 1276, "terminal_flag": false, - "phi": -49.7232075334415, + "phi": -54.4997756421633, "chainID": "A", "sidechain_GLN": null, - "ome": -179.680769019236, + "ome": -179.426717073909, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 179.867561087474, "chi4": null, "chi5": null, - "a1": 121.646970192348, - "L4": 1.52536177962919, - "L5": 1.23022279365135, - "L2": 1.45805449213661, - "L3": 1.52417148895816, - "a7": 122.922052124019, - "L1": 1.32938752501029, + "a1": 120.648625276779, + "L4": 1.52851221342242, + "L5": 1.22881390459361, + "L2": 1.45639377699876, + "L3": 1.5463492120536, + "a7": 122.020351034358, + "L1": 1.33050345497352, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.630988905455, - "bs": 92.0, - "a2": 110.13580556335, - "a5": 120.528771808273, + "a3": 109.44757034385, + "bs": 51.0, + "a2": 111.951265734289, + "a5": 120.522289688802, "sidechain_LEU": null, - "chainIndex": 271, + "chainIndex": 545, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.020230834649 + "a4": 108.585154546189 } }, { - "pk": 1279, + "pk": 1278, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 75, - "a6": 115.785646212027, - "psi": 132.068312887972, - "oldID": "491", - "bg": 20.81, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.596223095335, + "psi": -41.6301532065197, + "oldID": "547", + "bg": 50.06, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4893863430293, + "protein": "1TWF", + "zeta": 33.6753163618306, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1281, + "next": 1279, "sidechain_SER": null, - "bm": 18.0, + "bm": 48.0, "xpr": false, "prev": 1277, "terminal_flag": false, - "phi": -59.7954913201031, + "phi": -63.2773581570138, "chainID": "A", "sidechain_GLN": null, - "ome": 176.789305131297, - "chi2": -46.6759991396748, + "ome": 179.108852443559, + "chi2": -174.633395160626, "chi3": null, - "chi1": -57.8016029637793, + "chi1": -65.6752999318435, "chi4": null, "chi5": null, - "a1": 120.195584575907, - "L4": 1.51748042159272, - "L5": 1.21609705814504, - "L2": 1.46621832384454, - "L3": 1.52892249667207, - "a7": 123.450550355477, - "L1": 1.32518496727098, + "a1": 119.182799365512, + "L4": 1.5128856244518, + "L5": 1.23180815488741, + "L2": 1.4563615688309, + "L3": 1.52232427371056, + "a7": 123.236665144826, + "L1": 1.32881472497375, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.496079572361, - "bs": 20.0, - "a2": 111.886129536983, - "a5": 120.761628015491, - "sidechain_LEU": null, - "chainIndex": 490, + "ss": "H", + "a3": 112.20070675927, + "bs": 49.0, + "a2": 111.312135511284, + "a5": 120.165125058158, + "sidechain_LEU": 109, + "chainIndex": 546, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.059786477011 + "a4": 109.570613881529 } }, { - "pk": 1280, + "pk": 1279, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 51, + "sidechain_ASN": 47, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.146187529449, - "psi": -34.0659902674016, - "oldID": "273", - "bg": 87.64, + "a6": 116.244479973488, + "psi": -44.132746359885, + "oldID": "548", + "bg": 48.53, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6323656179903, + "zeta": 34.0155861152637, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1282, + "next": 1280, "sidechain_SER": null, - "bm": 91.0, + "bm": 42.0, "xpr": false, "prev": 1278, "terminal_flag": false, - "phi": -60.2214747105631, + "phi": -64.7981349491119, "chainID": "A", "sidechain_GLN": null, - "ome": 179.993760324229, - "chi2": 64.7904732396765, + "ome": 179.954143536086, + "chi2": -37.9917224346479, "chi3": null, - "chi1": -161.934713291393, + "chi1": -100.046480829661, "chi4": null, "chi5": null, - "a1": 121.398833240237, - "L4": 1.52064685291785, - "L5": 1.22745871177182, - "L2": 1.45684855755225, - "L3": 1.53556520381944, - "a7": 122.979237924374, - "L1": 1.32975695222978, + "a1": 121.135720702123, + "L4": 1.53789272987066, + "L5": 1.23432840326166, + "L2": 1.45209208427466, + "L3": 1.53709698180859, + "a7": 123.04279836518, + "L1": 1.33013985879372, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.582610717816, - "bs": 87.0, - "a2": 110.470239557423, - "a5": 120.869575330462, + "a3": 109.934413368817, + "bs": 47.0, + "a2": 110.421178986507, + "a5": 120.709457331734, "sidechain_LEU": null, - "chainIndex": 272, + "chainIndex": 547, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.993698074026 + "a4": 110.788060049221 } }, { - "pk": 1281, + "pk": 1280, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.959662609314, - "psi": 2.81998301201944, - "oldID": "492", - "bg": 0.0, + "a6": 115.504180380228, + "psi": -48.1106746600994, + "oldID": "549", + "bg": 38.69, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.2171862983889, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 33, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1283, + "next": 1281, "sidechain_SER": null, - "bm": 20.0, + "bm": 36.0, "xpr": false, "prev": 1279, "terminal_flag": false, - "phi": 74.7769466513186, + "phi": -61.6608008191855, "chainID": "A", "sidechain_GLN": null, - "ome": -178.90096798617, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 177.94762925233, + "chi2": -157.10208926203, + "chi3": -101.026658025335, + "chi1": -71.642521629648, "chi4": null, "chi5": null, - "a1": 121.721048381848, - "L4": 1.51540109914822, - "L5": 1.21812366158657, - "L2": 1.45136201525526, - "L3": null, - "a7": 121.963768522549, - "L1": 1.32641722063323, + "a1": 122.481633448994, + "L4": 1.51614837991703, + "L5": 1.23571861674755, + "L2": 1.45872478648509, + "L3": 1.53187659604926, + "a7": 123.34936466579, + "L1": 1.33244071773289, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 115.866215881716, - "bs": 0.0, - "a2": null, - "a5": 120.074226111116, + "ss": "H", + "a3": 110.413520158589, + "bs": 40.0, + "a2": 110.849925099132, + "a5": 121.143091887746, "sidechain_LEU": null, - "chainIndex": 491, + "chainIndex": 548, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.932662936098 } }, { - "pk": 1282, + "pk": 1281, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.794355110825, - "psi": -40.4346174944765, - "oldID": "274", - "bg": 97.26, + "a6": 117.305298186628, + "psi": -51.7821305809926, + "oldID": "550", + "bg": 34.77, "sidechain_CYS": null, - "sidechain_ILE": 70, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3794113656732, + "zeta": 35.0665434754664, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1284, + "next": 1282, "sidechain_SER": null, - "bm": 94.0, + "bm": 33.0, "xpr": false, "prev": 1280, "terminal_flag": false, - "phi": -77.3595565711247, + "phi": -56.1723143862248, "chainID": "A", "sidechain_GLN": null, - "ome": 179.727482535578, - "chi2": 174.504987447226, + "ome": -178.165705267678, + "chi2": 170.665753367129, "chi3": null, - "chi1": -64.6650086873768, + "chi1": -80.6217126561999, "chi4": null, "chi5": null, - "a1": 121.497230332991, - "L4": 1.52853117247573, - "L5": 1.23193872799847, - "L2": 1.45569359018219, - "L3": 1.54023712809742, - "a7": 122.571972977177, - "L1": 1.32696693502539, + "a1": 120.829648551751, + "L4": 1.52012317148688, + "L5": 1.22161989260217, + "L2": 1.44429581309395, + "L3": 1.54230849493273, + "a7": 122.256684745405, + "L1": 1.32603010789746, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.414208759426, - "bs": 97.0, - "a2": 110.475060095628, - "a5": 120.633624985616, - "sidechain_LEU": null, - "chainIndex": 273, + "a3": 107.196882136141, + "bs": 34.0, + "a2": 110.9611345206, + "a5": 120.410034590343, + "sidechain_LEU": 110, + "chainIndex": 549, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.49686941277 + "a4": 109.679459169744 } }, { - "pk": 1283, + "pk": 1282, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.851675605569, - "psi": 131.44956452296, - "oldID": "493", - "bg": 22.85, + "a6": 117.765519385303, + "psi": -25.2930895114791, + "oldID": "551", + "bg": 30.25, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.471059752402, + "protein": "1TWF", + "zeta": 32.7171393356574, "sidechain_PHE": null, - "sidechain_LYS": 85, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1285, + "next": 1283, "sidechain_SER": null, - "bm": 20.0, + "bm": 32.0, "xpr": false, "prev": 1281, "terminal_flag": false, - "phi": -93.8451163435351, + "phi": -61.3565991400294, "chainID": "A", "sidechain_GLN": null, - "ome": 177.582433681899, - "chi2": 82.3926940162559, - "chi3": 173.61678302485, - "chi1": 158.684467615721, - "chi4": -179.983523429107, + "ome": 178.926921945111, + "chi2": 45.7513005705847, + "chi3": null, + "chi1": -171.037827028431, + "chi4": null, "chi5": null, - "a1": 119.815065466397, - "L4": 1.53439244088217, - "L5": 1.22834406503033, - "L2": 1.44921529333315, - "L3": 1.53206898492236, - "a7": 122.865486920988, - "L1": 1.32989515652754, + "a1": 119.570305043701, + "L4": 1.53427681159815, + "L5": 1.23420243638755, + "L2": 1.45711771520248, + "L3": 1.53445747009835, + "a7": 122.273864321754, + "L1": 1.32715663006653, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 32, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.922725348198, - "bs": 23.0, - "a2": 110.547876788056, - "a5": 121.263136436679, + "ss": "H", + "a3": 114.291370371742, + "bs": 31.0, + "a2": 110.732942577541, + "a5": 119.956204120398, "sidechain_LEU": null, - "chainIndex": 492, + "chainIndex": 550, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.747897239622 + "a4": 110.695649730674 } }, { - "pk": 1284, + "pk": 1283, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.647103459731, - "psi": -10.7428778171818, - "oldID": "275", - "bg": 99.71, + "a6": 116.185970463983, + "psi": -25.0324155897925, + "oldID": "552", + "bg": 43.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7739156948911, + "zeta": 33.1218276890504, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1286, - "sidechain_SER": 64, - "bm": 97.0, + "sidechain_TRP": 9, + "next": 1284, + "sidechain_SER": null, + "bm": 37.0, "xpr": false, "prev": 1282, "terminal_flag": false, - "phi": -70.7306824687458, + "phi": -66.0198576637989, "chainID": "A", "sidechain_GLN": null, - "ome": 179.720024944134, - "chi2": null, + "ome": 179.166120372968, + "chi2": 100.712476341208, "chi3": null, - "chi1": 64.1544955809479, + "chi1": -102.799929587702, "chi4": null, "chi5": null, - "a1": 120.493107768371, - "L4": 1.523778311308, - "L5": 1.23004436282893, - "L2": 1.45591625895142, - "L3": 1.52769710238861, - "a7": 123.195962114454, - "L1": 1.32824478848687, + "a1": 119.408139376031, + "L4": 1.5495221110329, + "L5": 1.23971620920934, + "L2": 1.45229787561195, + "L3": 1.53482820418679, + "a7": 123.238825041225, + "L1": 1.33122015420713, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.162433893096, - "bs": 98.0, - "a2": 110.458574378216, - "a5": 121.155230264612, + "a3": 112.305367382033, + "bs": 43.0, + "a2": 110.460765881226, + "a5": 120.53724258406, "sidechain_LEU": null, - "chainIndex": 274, + "chainIndex": 551, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.804380837609 + "a4": 111.125954131524 } }, { - "pk": 1285, + "pk": 1284, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 76, - "a6": 116.555451060706, - "psi": 129.142353508041, - "oldID": "494", - "bg": 24.41, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 118.419694939816, + "psi": 102.851205563394, + "oldID": "553", + "bg": 42.4, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2183520008312, + "protein": "1TWF", + "zeta": 36.1590235128545, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 96, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1287, + "next": 1285, "sidechain_SER": null, - "bm": 19.0, + "bm": 43.0, "xpr": false, "prev": 1283, "terminal_flag": false, - "phi": -85.0598032557092, + "phi": -86.0276621788201, "chainID": "A", "sidechain_GLN": null, - "ome": 178.798423036719, - "chi2": -14.7171113745796, + "ome": -179.390598166752, + "chi2": null, "chi3": null, - "chi1": 174.301363581611, + "chi1": -177.908915278512, "chi4": null, "chi5": null, - "a1": 121.606261587435, - "L4": 1.5184168649579, - "L5": 1.21348257210007, - "L2": 1.4529752409994, - "L3": 1.5265624081471, - "a7": 122.808518347097, - "L1": 1.32831120214398, + "a1": 123.090344379118, + "L4": 1.52725596317879, + "L5": 1.22163588737945, + "L2": 1.47181967336573, + "L3": 1.54282650271129, + "a7": 121.672498074328, + "L1": 1.33636688150909, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.295080903236, - "bs": 24.0, - "a2": 110.006442862613, - "a5": 120.635239698964, + "ss": "S", + "a3": 109.639828773892, + "bs": 41.0, + "a2": 112.402715249017, + "a5": 119.839329169156, "sidechain_LEU": null, - "chainIndex": 493, + "chainIndex": 552, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.08261866161 + "a4": 105.645953076798 } }, { - "pk": 1286, + "pk": 1285, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 78, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.130588210144, - "psi": -28.3062157653275, - "oldID": "276", - "bg": 96.87, + "a6": 117.233736013475, + "psi": -23.3907135467049, + "oldID": "554", + "bg": 51.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3556231086077, + "zeta": 36.3349365272993, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1288, + "next": 1286, "sidechain_SER": null, - "bm": 100.0, + "bm": 54.0, "xpr": false, "prev": 1284, "terminal_flag": false, - "phi": -91.2564369291295, + "phi": -56.967676752775, "chainID": "A", "sidechain_GLN": null, - "ome": -179.978751154203, - "chi2": 67.9914756655749, - "chi3": null, - "chi1": -179.979545052469, - "chi4": null, + "ome": -179.842161304998, + "chi2": -42.6950255201175, + "chi3": 36.390437945693, + "chi1": 31.8826361912249, + "chi4": -16.3142747166935, "chi5": null, - "a1": 122.204376930549, - "L4": 1.52183275665047, - "L5": 1.22978951276331, - "L2": 1.4544352848264, - "L3": 1.52664867552107, - "a7": 122.764807035976, - "L1": 1.32778900314583, + "a1": 123.310472817303, + "L4": 1.53246323608081, + "L5": 1.23304301030617, + "L2": 1.47307087018296, + "L3": 1.52526651067972, + "a7": 122.568341863253, + "L1": 1.34228173753359, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.937450163241, - "bs": 96.0, - "a2": 109.807117965615, - "a5": 121.104423865785, - "sidechain_LEU": 105, - "chainIndex": 275, + "omep": 9.62640938452528, + "ss": "T", + "a3": 118.717906813717, + "bs": 51.0, + "a2": 102.991276583818, + "a5": 120.196909001421, + "sidechain_LEU": null, + "chainIndex": 553, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.662962688806 + "a4": 112.132995036765 } }, { - "pk": 1287, + "pk": 1286, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.027183388143, - "psi": 20.8650871519581, - "oldID": "495", - "bg": 16.49, + "chain": "1TWFA", + "sidechain_ASP": 85, + "a6": 116.518075654253, + "psi": 18.4750913254456, + "oldID": "555", + "bg": 70.16, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3670038563965, + "protein": "1TWF", + "zeta": 35.4229494703067, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1289, + "next": 1287, "sidechain_SER": null, - "bm": 16.0, + "bm": 63.0, "xpr": false, "prev": 1285, "terminal_flag": false, - "phi": -116.713685417335, + "phi": -94.3903028786056, "chainID": "A", "sidechain_GLN": null, - "ome": -176.485490737196, - "chi2": 86.7740365087385, + "ome": -179.861790765413, + "chi2": -56.4130491759183, "chi3": null, - "chi1": -68.1249195401389, + "chi1": -54.4722369825557, "chi4": null, "chi5": null, - "a1": 120.900015236775, - "L4": 1.52454989131028, - "L5": 1.2408129006531, - "L2": 1.45370146706193, - "L3": 1.52431314062755, - "a7": 121.922384174183, - "L1": 1.32598250814044, + "a1": 121.400809514597, + "L4": 1.51146473298018, + "L5": 1.22806934179173, + "L2": 1.45638813637176, + "L3": 1.52615023238191, + "a7": 123.398559948402, + "L1": 1.32810288993864, "sidechain_ARG": null, - "sidechain_TYR": 44, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.52605686674, - "bs": 16.0, - "a2": 109.908331622285, - "a5": 121.031705709467, + "ss": "T", + "a3": 110.999180600986, + "bs": 69.0, + "a2": 110.350988727873, + "a5": 120.07137076646, "sidechain_LEU": null, - "chainIndex": 494, + "chainIndex": 554, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.60624862048 + "a4": 108.501769702707 } }, { - "pk": 1288, + "pk": 1287, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.92224977032, - "psi": -29.1995643875676, - "oldID": "277", - "bg": 108.54, + "a6": 116.521742689959, + "psi": 138.673312201156, + "oldID": "556", + "bg": 60.54, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6651042038904, + "zeta": 34.8277889223733, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1290, + "sidechain_TRP": 10, + "next": 1288, "sidechain_SER": null, - "bm": 106.0, + "bm": 64.0, "xpr": false, "prev": 1286, "terminal_flag": false, - "phi": -87.0940770495194, + "phi": -75.691797699009, "chainID": "A", "sidechain_GLN": null, - "ome": -179.941160162983, - "chi2": -169.118129392535, - "chi3": 63.7932650789733, - "chi1": -60.0288627172381, + "ome": -179.461552869369, + "chi2": 57.1766624212018, + "chi3": null, + "chi1": -178.953596711473, "chi4": null, "chi5": null, - "a1": 120.75244193905, - "L4": 1.51863578783678, - "L5": 1.23069005851505, - "L2": 1.45198289241329, - "L3": 1.52919213166124, - "a7": 122.949421881332, - "L1": 1.32645613724495, + "a1": 121.635799278968, + "L4": 1.52044343364177, + "L5": 1.22797620489207, + "L2": 1.45890303021701, + "L3": 1.53352827238605, + "a7": 123.088291887465, + "L1": 1.32861293648057, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 101, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.77234508492, - "bs": 109.0, - "a2": 110.394578565205, - "a5": 121.125904518145, + "ss": "-", + "a3": 108.337097997042, + "bs": 59.0, + "a2": 110.042055921009, + "a5": 120.389818726583, "sidechain_LEU": null, - "chainIndex": 276, + "chainIndex": 555, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.933255365129 + "a4": 110.447720095532 } }, { - "pk": 1289, + "pk": 1288, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.602504576134, - "psi": 175.632623521391, - "oldID": "496", - "bg": 20.02, + "chain": "1TWFA", + "sidechain_ASP": 86, + "a6": 116.989465199632, + "psi": 24.9106700561073, + "oldID": "557", + "bg": 66.38, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0136312608631, + "protein": "1TWF", + "zeta": 34.90368640899, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1291, - "sidechain_SER": 65, - "bm": 17.0, + "next": 1289, + "sidechain_SER": null, + "bm": 64.0, "xpr": false, "prev": 1287, "terminal_flag": false, - "phi": -86.2750668493152, + "phi": -92.7858238090285, "chainID": "A", "sidechain_GLN": null, - "ome": 173.463421113861, - "chi2": null, + "ome": 178.880091830507, + "chi2": 35.0990019469792, "chi3": null, - "chi1": 77.2495491572692, + "chi1": 49.9265575226886, "chi4": null, "chi5": null, - "a1": 118.234522039369, - "L4": 1.52791561934311, - "L5": 1.22644971963643, - "L2": 1.46335706546015, - "L3": 1.54536485769598, - "a7": 123.304320903031, - "L1": 1.33312823314269, + "a1": 121.462622643478, + "L4": 1.52258353522845, + "L5": 1.22933056191813, + "L2": 1.4578664082749, + "L3": 1.5200733789582, + "a7": 122.76253497517, + "L1": 1.32871082907225, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.716432552247, - "bs": 18.0, - "a2": 110.77761726848, - "a5": 121.08620997473, + "ss": "-", + "a3": 115.419528536505, + "bs": 66.0, + "a2": 109.69606944455, + "a5": 120.237748904898, "sidechain_LEU": null, - "chainIndex": 495, + "chainIndex": 556, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.60551065379 + "a4": 108.405553485233 } }, { - "pk": 1290, + "pk": 1289, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.688823422102, - "psi": 37.6551219605351, - "oldID": "278", - "bg": 112.98, + "a6": 117.556468994731, + "psi": 12.0822257848222, + "oldID": "558", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6467060704855, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 66, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1292, + "next": 1290, "sidechain_SER": null, - "bm": 113.0, + "bm": 61.0, "xpr": false, "prev": 1288, "terminal_flag": false, - "phi": -84.760770207005, + "phi": 60.6905172707748, "chainID": "A", "sidechain_GLN": null, - "ome": 179.12821208948, + "ome": 179.353874009542, "chi2": null, "chi3": null, - "chi1": -43.6124630783366, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.085174816633, - "L4": 1.52138791451679, - "L5": 1.23019948921066, - "L2": 1.45211734888314, - "L3": 1.52827394705174, - "a7": 123.097845162125, - "L1": 1.32654622009301, + "a1": 120.424823209097, + "L4": 1.51715488890252, + "L5": 1.23370975378731, + "L2": 1.44946723910209, + "L3": null, + "a7": 122.524023506154, + "L1": 1.32537183253259, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.122723365454, - "bs": 112.0, - "a2": 110.793449039233, - "a5": 121.210267990526, + "ss": "S", + "a3": 117.453539090377, + "bs": 0.0, + "a2": null, + "a5": 119.919327278723, "sidechain_LEU": null, - "chainIndex": 277, + "chainIndex": 557, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.423709776879 + "a4": null } }, { - "pk": 1291, + "pk": 1290, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.351385961894, - "psi": -30.4100738849335, - "oldID": "497", - "bg": 17.44, + "a6": 116.143558972693, + "psi": 96.8431965871251, + "oldID": "559", + "bg": 54.61, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7095935406798, + "protein": "1TWF", + "zeta": 34.0546228365012, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 97, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 19, - "next": 1293, + "sidechain_TRP": null, + "next": 1291, "sidechain_SER": null, - "bm": 20.0, + "bm": 58.0, "xpr": false, "prev": 1289, "terminal_flag": false, - "phi": -49.0655359120116, + "phi": -101.94550368609, "chainID": "A", "sidechain_GLN": null, - "ome": 179.691778873291, - "chi2": -65.1978546816659, + "ome": 179.929124083285, + "chi2": null, "chi3": null, - "chi1": -167.516189667149, + "chi1": 170.84590834609, "chi4": null, "chi5": null, - "a1": 123.263505864263, - "L4": 1.53096224386313, - "L5": 1.21520967012907, - "L2": 1.4447208544891, - "L3": 1.52627639248828, - "a7": 121.809607157989, - "L1": 1.33131796125132, + "a1": 120.205250218137, + "L4": 1.52060129300864, + "L5": 1.23215956925764, + "L2": 1.45277042438873, + "L3": 1.55112248242776, + "a7": 122.561630478572, + "L1": 1.32703832739143, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.386179479605, - "bs": 18.0, - "a2": 108.181706445821, - "a5": 121.838510400244, + "ss": "-", + "a3": 111.238206307199, + "bs": 56.0, + "a2": 111.314575727977, + "a5": 121.294742439497, "sidechain_LEU": null, - "chainIndex": 496, + "chainIndex": 558, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.912163169726 + "a4": 109.662321990866 } }, { - "pk": 1292, + "pk": 1291, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.655777605338, - "psi": -40.8688735916493, - "oldID": "279", - "bg": 117.13, + "a6": 117.711504175237, + "psi": 117.067287661003, + "oldID": "560", + "bg": 52.76, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 71, "protein": "1TWF", - "zeta": 34.8760615299166, + "zeta": 35.5152335426051, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1294, + "next": 1292, "sidechain_SER": null, - "bm": 118.0, + "bm": 56.0, "xpr": false, "prev": 1290, "terminal_flag": false, - "phi": -139.162265422478, + "phi": -58.1963430925866, "chainID": "A", "sidechain_GLN": null, - "ome": 179.283111450251, - "chi2": 178.183513494266, + "ome": -179.96940406029, + "chi2": 165.820299963597, "chi3": null, - "chi1": -74.6572539882173, + "chi1": -62.1791886965607, "chi4": null, "chi5": null, - "a1": 122.197632836929, - "L4": 1.51071902068958, - "L5": 1.22862524403639, - "L2": 1.45343862820367, - "L3": 1.52856831302068, - "a7": 123.074574936239, - "L1": 1.32695392830028, + "a1": 120.331074684313, + "L4": 1.52161922050792, + "L5": 1.22647374228261, + "L2": 1.45395416675354, + "L3": 1.5089523868324, + "a7": 121.667202059059, + "L1": 1.32348094823687, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.360874383736, - "bs": 117.0, - "a2": 110.956269134562, - "a5": 121.269465487643, - "sidechain_LEU": 106, - "chainIndex": 278, + "ss": "-", + "a3": 111.046974429846, + "bs": 52.0, + "a2": 110.959895483335, + "a5": 120.615473963231, + "sidechain_LEU": null, + "chainIndex": 559, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.746817549642 + "a4": 107.464838998641 } }, { - "pk": 1293, + "pk": 1292, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 79, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.347831808378, - "psi": -41.6563421568583, - "oldID": "498", - "bg": 31.67, + "a6": 117.065416144486, + "psi": 149.613906851474, + "oldID": "561", + "bg": 54.76, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9866128405619, + "protein": "1TWF", + "zeta": 37.7978775677919, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1295, + "next": 1293, "sidechain_SER": null, - "bm": 28.0, + "bm": 56.0, "xpr": false, "prev": 1291, "terminal_flag": false, - "phi": -49.5724861995988, + "phi": -64.7646527114041, "chainID": "A", "sidechain_GLN": null, - "ome": -172.21758511442, - "chi2": 70.4113127593029, - "chi3": null, - "chi1": -170.808039261083, - "chi4": null, + "ome": 179.207169359292, + "chi2": -45.0188937759434, + "chi3": 37.6105647301557, + "chi1": 34.2640980078051, + "chi4": -16.564506515696, "chi5": null, - "a1": 121.076123181218, - "L4": 1.53017398983191, - "L5": 1.23145039350188, - "L2": 1.45340496316804, - "L3": 1.54752442752656, - "a7": 124.14982937237, - "L1": 1.32694492481667, + "a1": 118.186936612883, + "L4": 1.533492455951, + "L5": 1.22667662014579, + "L2": 1.46675044606768, + "L3": 1.52285180985906, + "a7": 122.312941554783, + "L1": 1.33727837237851, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.720370124163, - "bs": 31.0, - "a2": 110.09886511273, - "a5": 118.496176956864, - "sidechain_LEU": 107, - "chainIndex": 497, + "omep": 6.71858083455999, + "ss": "-", + "a3": 112.742987699261, + "bs": 55.0, + "a2": 102.502444671562, + "a5": 120.621595763706, + "sidechain_LEU": null, + "chainIndex": 560, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.398355118461 + "a4": 112.216961035994 } }, { - "pk": 1294, + "pk": 1293, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.815890672117, - "psi": -9.4665836803855, - "oldID": "280", - "bg": 124.7, + "a6": 117.368493846776, + "psi": 131.947351454263, + "oldID": "562", + "bg": 57.68, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7298769074051, + "zeta": 34.5576862651769, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 63, "sidechain_TRP": null, - "next": 1296, + "next": 1294, "sidechain_SER": null, - "bm": 123.0, + "bm": 56.0, "xpr": false, "prev": 1292, "terminal_flag": false, - "phi": -79.0377112016563, + "phi": -71.9481563584401, "chainID": "A", "sidechain_GLN": null, - "ome": 179.209379856703, - "chi2": 176.998370544589, - "chi3": 58.6835117377957, - "chi1": -53.9441238616138, + "ome": -179.798217912583, + "chi2": null, + "chi3": null, + "chi1": -68.165000362139, "chi4": null, "chi5": null, - "a1": 120.410836281688, - "L4": 1.52313584315211, - "L5": 1.22833122263567, - "L2": 1.44598684194885, - "L3": 1.52656124072969, - "a7": 123.514726294328, - "L1": 1.32458795834196, + "a1": 121.235137547626, + "L4": 1.53436064520009, + "L5": 1.23192243728337, + "L2": 1.46249012980627, + "L3": 1.55367868817247, + "a7": 121.928738824975, + "L1": 1.3280102446856, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 102, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 107.454297089683, - "bs": 124.0, - "a2": 109.993905657613, - "a5": 120.667936472051, + "ss": "-", + "a3": 109.536392594978, + "bs": 58.0, + "a2": 111.287968304158, + "a5": 120.702744386173, "sidechain_LEU": null, - "chainIndex": 279, + "chainIndex": 561, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.870311913895 + "a4": 109.386853958102 } }, { - "pk": 1295, + "pk": 1294, "model": "pgd_core.residue", "fields": { - "aa": "t", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 80, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.576468506897, - "psi": -15.5659359052697, - "oldID": "499", - "bg": 27.35, + "a6": 117.276621494104, + "psi": 152.323508790068, + "oldID": "563", + "bg": 57.85, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.8056668365147, + "protein": "1TWF", + "zeta": 38.2344078106571, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 67, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1297, + "next": 1295, "sidechain_SER": null, - "bm": 22.0, + "bm": 58.0, "xpr": false, "prev": 1293, "terminal_flag": false, - "phi": -124.435030087505, + "phi": -51.0523683183864, "chainID": "A", "sidechain_GLN": null, - "ome": 177.945560087473, - "chi2": null, - "chi3": null, - "chi1": 62.0128696160063, - "chi4": null, + "ome": 178.368005261654, + "chi2": 43.3891170493692, + "chi3": -36.0338359237073, + "chi1": -33.659719827561, + "chi4": 14.9362257498327, "chi5": null, - "a1": 125.815801779492, - "L4": 1.53938819769369, - "L5": 1.22968291134668, - "L2": 1.47628044178467, - "L3": 1.53718689672331, - "a7": 122.029822957937, - "L1": 1.3464605403634, + "a1": 126.106981515197, + "L4": 1.5159341042063, + "L5": 1.21795946836449, + "L2": 1.47011171465623, + "L3": 1.52330239454155, + "a7": 122.38819939405, + "L1": 1.34563673960995, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.929719860738, - "bs": 24.0, - "a2": 110.082704134399, - "a5": 120.375954737528, + "omep": -2.356199738901, + "ss": "-", + "a3": 113.566725395954, + "bs": 58.0, + "a2": 102.91600757924, + "a5": 120.335168223286, "sidechain_LEU": null, - "chainIndex": 498, + "chainIndex": 562, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.86610780674 + "a4": 111.125171376103 } }, { - "pk": 1296, + "pk": 1295, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.48691755309, - "psi": -46.5283608077497, - "oldID": "281", - "bg": 129.71, + "a6": 114.593314501279, + "psi": -4.88725259662309, + "oldID": "564", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1048142716977, + "zeta": 34.7209020153009, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1298, + "next": 1296, "sidechain_SER": null, - "bm": 126.0, + "bm": 63.0, "xpr": false, "prev": 1294, "terminal_flag": false, - "phi": -94.872210252201, + "phi": -81.6801629277071, "chainID": "A", "sidechain_GLN": null, - "ome": 179.396081561596, + "ome": 179.93581128962, "chi2": null, "chi3": null, - "chi1": 174.726735912873, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.816813503978, - "L4": 1.52191678893198, - "L5": 1.23352270726359, - "L2": 1.46316795161156, - "L3": 1.53207455951108, - "a7": 123.269745839193, - "L1": 1.33305505003608, + "a1": 120.052063397266, + "L4": 1.52291202213566, + "L5": 1.23230385019187, + "L2": 1.45696329317894, + "L3": 1.52096894892588, + "a7": 123.504373150613, + "L1": 1.32590901427018, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 108.944441771384, - "bs": 129.0, - "a2": 110.444349180312, - "a5": 121.241486537859, + "a3": 105.559475654491, + "bs": 61.0, + "a2": 110.499725991149, + "a5": 121.90230516044, "sidechain_LEU": null, - "chainIndex": 280, - "sidechain_HIS": 43, + "chainIndex": 563, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.400515502941 + "a4": 110.703800701031 } }, { - "pk": 1297, + "pk": 1296, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.106002672392, - "psi": -48.9164565829389, - "oldID": "500", - "bg": 19.9, + "a6": 116.708158383682, + "psi": 130.699767140963, + "oldID": "565", + "bg": 65.29, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7292328008357, + "sidechain_ILE": 72, + "protein": "1TWF", + "zeta": 34.8260483201311, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1299, + "next": 1297, "sidechain_SER": null, - "bm": 18.0, + "bm": 68.0, "xpr": false, "prev": 1295, "terminal_flag": false, - "phi": -51.4882998179304, + "phi": -141.169952246691, "chainID": "A", "sidechain_GLN": null, - "ome": -179.788783002676, - "chi2": 165.535880175129, + "ome": -179.584491446024, + "chi2": 170.862969266873, "chi3": null, - "chi1": -172.660108231087, + "chi1": -71.9149318691287, "chi4": null, "chi5": null, - "a1": 121.66569936721, - "L4": 1.54055609638034, - "L5": 1.23180303208024, - "L2": 1.46012937473216, - "L3": 1.53896544478638, - "a7": 121.628980585685, - "L1": 1.32733280385909, + "a1": 122.365697409623, + "L4": 1.51638367947539, + "L5": 1.22580250521193, + "L2": 1.44892112565863, + "L3": 1.52723605484902, + "a7": 122.978813660059, + "L1": 1.3266557025284, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.390869827889, - "bs": 19.0, - "a2": 109.945053322085, - "a5": 121.253173595799, - "sidechain_LEU": 108, - "chainIndex": 499, + "ss": "B", + "a3": 108.168136774157, + "bs": 65.0, + "a2": 110.113706495679, + "a5": 120.297152545721, + "sidechain_LEU": null, + "chainIndex": 564, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.488761420067 + "a4": 110.439295073754 } }, { - "pk": 1298, + "pk": 1297, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "i", "sidechain_PRO": null, - "sidechain_ASN": 52, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.747936493514, - "psi": 17.8165412430633, - "oldID": "282", - "bg": 126.59, + "a6": 115.535970826689, + "psi": -20.6248688252612, + "oldID": "566", + "bg": 74.32, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 73, "protein": "1TWF", - "zeta": 34.8829300351544, + "zeta": 35.4062213807259, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1300, + "next": 1298, "sidechain_SER": null, - "bm": 124.0, + "bm": 76.0, "xpr": false, "prev": 1296, "terminal_flag": false, - "phi": -93.2456173426376, + "phi": -121.930714851662, "chainID": "A", "sidechain_GLN": null, - "ome": -179.399582869206, - "chi2": -60.8280437855405, + "ome": -178.883375829481, + "chi2": 168.567700355632, "chi3": null, - "chi1": -73.7517611219157, + "chi1": -45.9325597459399, "chi4": null, "chi5": null, - "a1": 121.767101785408, - "L4": 1.52305649986499, - "L5": 1.22960546520837, - "L2": 1.45364272073514, - "L3": 1.53594401712111, - "a7": 122.796057984436, - "L1": 1.32724264383041, + "a1": 121.034418567941, + "L4": 1.52166855291805, + "L5": 1.22350484313316, + "L2": 1.45599733043292, + "L3": 1.53632297573353, + "a7": 123.783675298181, + "L1": 1.32846415593821, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.566847585002, - "bs": 126.0, - "a2": 110.51669750326, - "a5": 120.455489109145, + "ss": "-", + "a3": 110.35647039748, + "bs": 74.0, + "a2": 110.595076905619, + "a5": 120.678858856974, "sidechain_LEU": null, - "chainIndex": 281, + "chainIndex": 565, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.593888118365 + "a4": 108.520605870653 } }, { - "pk": 1299, + "pk": 1298, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.24547485673, - "psi": -32.3944351125007, - "oldID": "501", - "bg": 17.09, + "a6": 120.106275273733, + "psi": -126.931384647842, + "oldID": "567", + "bg": 91.82, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.0537218121499, - "sidechain_PHE": 48, - "sidechain_LYS": null, + "protein": "1TWF", + "zeta": 32.4397914443898, + "sidechain_PHE": null, + "sidechain_LYS": 74, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1302, + "next": 1299, "sidechain_SER": null, - "bm": 17.0, + "bm": 83.0, "xpr": false, "prev": 1297, "terminal_flag": false, - "phi": -71.4394395284292, + "phi": -44.0729238242192, "chainID": "A", "sidechain_GLN": null, - "ome": 173.605102194672, - "chi2": -82.9913277418301, - "chi3": null, - "chi1": -67.0137411823294, - "chi4": null, + "ome": -179.262934034567, + "chi2": -166.213053394659, + "chi3": 178.038303772106, + "chi1": 41.0380140983816, + "chi4": 64.1007161187135, "chi5": null, - "a1": 120.028896659121, - "L4": 1.53193708629371, - "L5": 1.23811320330856, - "L2": 1.45995274664169, - "L3": 1.53463759493591, - "a7": 122.567144204998, - "L1": 1.32995397218465, + "a1": 124.470879589356, + "L4": 1.55479087882676, + "L5": 1.23372715125766, + "L2": 1.45879545915786, + "L3": 1.52659607764807, + "a7": 120.933036170914, + "L1": 1.32840271657967, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 115.076318873987, - "bs": 17.0, - "a2": 111.20255224273, - "a5": 120.183039442991, + "ss": "S", + "a3": 118.089544021903, + "bs": 95.0, + "a2": 107.263648159021, + "a5": 118.960674017979, "sidechain_LEU": null, - "chainIndex": 500, + "chainIndex": 566, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.220375643414 + "a4": 112.81856850948 } }, { - "pk": 1300, + "pk": 1299, "model": "pgd_core.residue", "fields": { - "aa": "g", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 81, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.24949204101, - "psi": 140.311497943512, - "oldID": "283", - "bg": 0.0, + "a6": 116.207364654289, + "psi": -9.63107832223342, + "oldID": "568", + "bg": 82.54, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 36.5740239537536, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1301, + "next": 1300, "sidechain_SER": null, - "bm": 118.0, + "bm": 82.0, "xpr": false, "prev": 1298, "terminal_flag": false, - "phi": 65.0154682760499, + "phi": -63.6191100001286, "chainID": "A", "sidechain_GLN": null, - "ome": -179.171402767799, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": -179.574935427501, + "chi2": -44.1162677619778, + "chi3": 38.3276627692935, + "chi1": 32.451246962831, + "chi4": -18.0500450185717, "chi5": null, - "a1": 120.036165067656, - "L4": 1.51451909143156, - "L5": 1.23146108012008, - "L2": 1.45116963643975, - "L3": null, - "a7": 122.266797958452, - "L1": 1.33037031175532, + "a1": 114.242261561223, + "L4": 1.52425041506447, + "L5": 1.2407220787595, + "L2": 1.47098326887418, + "L3": 1.52555845869268, + "a7": 123.168005784691, + "L1": 1.36000650609943, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.833096079217, - "bs": 0.0, - "a2": null, - "a5": 120.483702899134, + "omep": 1.91928375497837, + "ss": "S", + "a3": 117.984743955001, + "bs": 82.0, + "a2": 102.948041134443, + "a5": 120.621802034965, "sidechain_LEU": null, - "chainIndex": 282, + "chainIndex": 567, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 112.15115885462 } }, { - "pk": 1301, + "pk": 1300, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.770766105467, - "psi": 158.763895498393, - "oldID": "284", - "bg": 0.0, + "a6": 117.401846620174, + "psi": 125.53324969705, + "oldID": "569", + "bg": 81.84, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5416385029972, + "zeta": 35.0287018388601, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 75, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1303, + "next": 1301, "sidechain_SER": null, - "bm": 112.0, + "bm": 77.0, "xpr": false, - "prev": 1300, + "prev": 1299, "terminal_flag": false, - "phi": -157.699014339841, + "phi": -160.247259416408, "chainID": "A", "sidechain_GLN": null, - "ome": 179.688062544524, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.812740019627, + "chi2": 170.455526882988, + "chi3": 169.727407249544, + "chi1": -176.622962873621, + "chi4": -174.922812346188, "chi5": null, - "a1": 119.657295810546, - "L4": 1.51592777365031, - "L5": 1.22883091860806, - "L2": 1.45207684556893, - "L3": 1.5254674723986, - "a7": 122.316755069151, - "L1": 1.32487087633606, + "a1": 120.98978235347, + "L4": 1.52255279955701, + "L5": 1.22647026895245, + "L2": 1.45329774632555, + "L3": 1.53094753374565, + "a7": 121.888571675881, + "L1": 1.32835561363337, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.185579757642, - "bs": 112.0, - "a2": 109.65095860173, - "a5": 120.90772462796, + "ss": "S", + "a3": 111.232487666026, + "bs": 82.0, + "a2": 108.936029237525, + "a5": 120.695392603354, "sidechain_LEU": null, - "chainIndex": 283, + "chainIndex": 568, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.102596707213 + "a4": 110.444193136833 } }, { - "pk": 1302, + "pk": 1301, "model": "pgd_core.residue", "fields": { - "aa": "d", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 82, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 77, - "a6": 115.594173636668, - "psi": -45.727589143877, - "oldID": "502", - "bg": 21.13, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.493825694493, + "psi": 93.966559183297, + "oldID": "570", + "bg": 72.42, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4494310045072, + "protein": "1TWF", + "zeta": 37.8455355039582, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1304, + "next": 1302, "sidechain_SER": null, - "bm": 17.0, + "bm": 71.0, "xpr": false, - "prev": 1299, + "prev": 1300, "terminal_flag": false, - "phi": -62.6478995565209, + "phi": -66.6228313552606, "chainID": "A", "sidechain_GLN": null, - "ome": 178.346644648653, - "chi2": 44.4647963684684, - "chi3": null, - "chi1": 166.114508863873, - "chi4": null, + "ome": -178.878670847546, + "chi2": -44.6432186545049, + "chi3": 38.7144890181842, + "chi1": 32.7500299482908, + "chi4": -18.6433880269693, "chi5": null, - "a1": 121.009001064364, - "L4": 1.54813720504152, - "L5": 1.25159885202479, - "L2": 1.47670167875829, - "L3": 1.52599277883609, - "a7": 122.710444919086, - "L1": 1.33382831996976, + "a1": 120.867958100761, + "L4": 1.52849144652663, + "L5": 1.22743463818913, + "L2": 1.46230514466967, + "L3": 1.52516297321027, + "a7": 123.014857398773, + "L1": 1.34072902819069, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.170031978219, - "bs": 21.0, - "a2": 110.896593350679, - "a5": 121.695219299867, + "omep": 2.38974776450059, + "ss": "-", + "a3": 109.257586202761, + "bs": 72.0, + "a2": 102.726387316472, + "a5": 120.490369248528, "sidechain_LEU": null, - "chainIndex": 501, + "chainIndex": 569, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.700852390457 + "a4": 112.682915017986 } }, { - "pk": 1303, + "pk": 1302, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 67, + "aa": "l", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.021658861346, - "psi": 155.555109405929, - "oldID": "285", - "bg": 109.37, + "a6": 115.685194742444, + "psi": 140.345176033926, + "oldID": "571", + "bg": 60.07, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.7103274543992, + "zeta": 34.8019737396191, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1305, + "next": 1303, "sidechain_SER": null, - "bm": 108.0, + "bm": 64.0, "xpr": false, "prev": 1301, "terminal_flag": false, - "phi": -60.7914930629958, + "phi": -107.940158702557, "chainID": "A", "sidechain_GLN": null, - "ome": -179.22103818739, - "chi2": 43.3865915032206, - "chi3": -39.2665717841589, - "chi1": -30.0945762537741, - "chi4": 20.9511701004501, + "ome": 179.639917818804, + "chi2": 54.4943409749049, + "chi3": null, + "chi1": -128.095096278966, + "chi4": null, "chi5": null, - "a1": 122.872282672287, - "L4": 1.52805956122327, - "L5": 1.2295292914662, - "L2": 1.46536801101908, - "L3": 1.52538029840429, - "a7": 123.124025206363, - "L1": 1.34182105757997, + "a1": 122.201038940945, + "L4": 1.52368272356609, + "L5": 1.23247104199611, + "L2": 1.46484056508195, + "L3": 1.53452017515492, + "a7": 122.9280192717, + "L1": 1.330161797689, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -7.9647035679647, - "ss": "-", - "a3": 110.8631069955, - "bs": 109.0, - "a2": 103.057257091175, - "a5": 120.850358417615, - "sidechain_LEU": null, - "chainIndex": 284, + "omep": null, + "ss": "E", + "a3": 112.956955809485, + "bs": 60.0, + "a2": 110.07087969794, + "a5": 121.386043860071, + "sidechain_LEU": 111, + "chainIndex": 570, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.255076493595 + "a4": 109.059325738305 } }, { - "pk": 1304, + "pk": 1303, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 78, - "a6": 117.309422861884, - "psi": -39.2157119647944, - "oldID": "503", - "bg": 18.28, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 115.758858808721, + "psi": 174.088972934868, + "oldID": "572", + "bg": 49.49, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7412015541689, + "protein": "1TWF", + "zeta": 34.8756523673685, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1306, + "sidechain_TRP": 11, + "next": 1304, "sidechain_SER": null, - "bm": 16.0, + "bm": 57.0, "xpr": false, "prev": 1302, "terminal_flag": false, - "phi": -64.2146556663742, + "phi": -106.152027656716, "chainID": "A", "sidechain_GLN": null, - "ome": 177.136662605489, - "chi2": -8.96085476833446, + "ome": 179.646975706457, + "chi2": -98.0488505876357, "chi3": null, - "chi1": -73.1071523156563, + "chi1": -83.2334515825175, "chi4": null, "chi5": null, - "a1": 121.790482013856, - "L4": 1.51636845876967, - "L5": 1.2150741759853, - "L2": 1.45304933940749, - "L3": 1.52291171617929, - "a7": 122.086456506073, - "L1": 1.32784999706942, + "a1": 121.378007212569, + "L4": 1.51948977498223, + "L5": 1.23135211262653, + "L2": 1.45547847939639, + "L3": 1.52096387242096, + "a7": 122.53067621977, + "L1": 1.32670396705888, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.587585577762, - "bs": 17.0, - "a2": 110.21902777215, - "a5": 120.563883691385, + "ss": "E", + "a3": 111.458020184847, + "bs": 47.0, + "a2": 110.0320159261, + "a5": 121.70771740609, "sidechain_LEU": null, - "chainIndex": 502, + "chainIndex": 571, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.493192847947 + "a4": 109.374547771489 } }, { - "pk": 1305, + "pk": 1304, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.701965472074, - "psi": -44.6732172845746, - "oldID": "286", - "bg": 110.84, + "a6": 116.456379250167, + "psi": 152.301098686127, + "oldID": "573", + "bg": 54.85, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7524128105232, + "zeta": 35.2198489752934, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1307, - "sidechain_SER": null, - "bm": 105.0, + "next": 1305, + "sidechain_SER": 62, + "bm": 52.0, "xpr": false, "prev": 1303, "terminal_flag": false, - "phi": -64.876251823868, + "phi": -116.110205544663, "chainID": "A", "sidechain_GLN": null, - "ome": -179.940485769383, + "ome": 178.904232734203, "chi2": null, "chi3": null, - "chi1": -48.9461137765929, + "chi1": 168.365098879664, "chi4": null, "chi5": null, - "a1": 122.457865013649, - "L4": 1.53054240016346, - "L5": 1.23042630721303, - "L2": 1.4560111050888, - "L3": 1.52987653837319, - "a7": 122.619566364397, - "L1": 1.3271154280076, + "a1": 120.424761647807, + "L4": 1.52190728910758, + "L5": 1.23062772400956, + "L2": 1.44387836399153, + "L3": 1.51928989728081, + "a7": 123.039723244585, + "L1": 1.31660430642053, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.612617761093, - "bs": 111.0, - "a2": 109.020272130538, - "a5": 120.677919628178, + "ss": "E", + "a3": 109.407112785735, + "bs": 53.0, + "a2": 109.25049765228, + "a5": 120.490754946692, "sidechain_LEU": null, - "chainIndex": 285, - "sidechain_HIS": 44, + "chainIndex": 572, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.259084172032 + "a4": 110.283991605766 } }, { - "pk": 1306, + "pk": 1305, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.211425167068, - "psi": -40.5155458043828, - "oldID": "504", - "bg": 14.41, + "a6": 115.903288885465, + "psi": -50.5708894438045, + "oldID": "574", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8501268013386, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 32, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1308, + "next": 1306, "sidechain_SER": null, - "bm": 15.0, + "bm": 52.0, "xpr": false, "prev": 1304, "terminal_flag": false, - "phi": -62.156104113543, + "phi": -57.1540792021482, "chainID": "A", "sidechain_GLN": null, - "ome": 178.303651641301, - "chi2": -171.371040220835, - "chi3": -67.8509531540462, - "chi1": -173.146010192542, + "ome": 179.675193607994, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.344411488129, - "L4": 1.5232541713022, - "L5": 1.23167446779886, - "L2": 1.45918146414363, - "L3": 1.5266795672054, - "a7": 123.124035037215, - "L1": 1.32907760876504, + "a1": 119.766402803457, + "L4": 1.51600148763325, + "L5": 1.23329314671006, + "L2": 1.44783153283608, + "L3": null, + "a7": 122.972126321091, + "L1": 1.33004160078966, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.673010597383, - "bs": 15.0, - "a2": 110.846538056006, - "a5": 120.653326585281, + "a3": 107.084135546065, + "bs": 0.0, + "a2": null, + "a5": 121.120942250938, "sidechain_LEU": null, - "chainIndex": 503, + "chainIndex": 573, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.120635964065 + "a4": null } }, { - "pk": 1307, + "pk": 1306, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.941999557136, - "psi": -23.0346511435618, - "oldID": "287", - "bg": 101.38, + "a6": 115.812939621928, + "psi": -44.2091352431968, + "oldID": "575", + "bg": 46.1, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6883709384367, + "zeta": 34.6812621740231, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 76, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1309, + "next": 1307, "sidechain_SER": null, - "bm": 98.0, + "bm": 52.0, "xpr": false, "prev": 1305, "terminal_flag": false, - "phi": -79.3664183775481, + "phi": -51.8879153529144, "chainID": "A", "sidechain_GLN": null, - "ome": -179.81809931139, - "chi2": null, - "chi3": null, - "chi1": -172.133105990115, - "chi4": null, + "ome": -179.591284550642, + "chi2": -168.267809298778, + "chi3": -155.489431494192, + "chi1": -57.2945277537509, + "chi4": -178.309668034743, "chi5": null, - "a1": 121.655044349258, - "L4": 1.53032426525012, - "L5": 1.22822441665536, - "L2": 1.45982141002577, - "L3": 1.53631817769879, - "a7": 122.535395957073, - "L1": 1.32997923372387, + "a1": 121.303443061341, + "L4": 1.51791984433278, + "L5": 1.23185639280315, + "L2": 1.4615003655085, + "L3": 1.52512968917349, + "a7": 123.038840982321, + "L1": 1.33022339524864, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.36111232958, - "bs": 101.0, - "a2": 109.993658863811, - "a5": 120.522579461817, + "a3": 111.745120399509, + "bs": 45.0, + "a2": 110.421948353406, + "a5": 121.148212301052, "sidechain_LEU": null, - "chainIndex": 286, - "sidechain_HIS": 45, + "chainIndex": 574, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.800936260059 + "a4": 109.189089944511 } }, { - "pk": 1308, + "pk": 1307, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.969464756111, - "psi": -39.8297500862991, - "oldID": "505", - "bg": 19.16, + "a6": 116.691194821357, + "psi": -51.042511128931, + "oldID": "576", + "bg": 60.07, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9314875224676, - "sidechain_PHE": 49, + "protein": "1TWF", + "zeta": 34.4341830444176, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1310, + "next": 1308, "sidechain_SER": null, - "bm": 16.0, + "bm": 54.0, "xpr": false, "prev": 1306, "terminal_flag": false, - "phi": -62.1050478446965, + "phi": -52.2417198818699, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.193568108082, - "chi2": 86.4441993545851, - "chi3": null, - "chi1": -169.095850027089, + "sidechain_GLN": 56, + "ome": -179.415607810913, + "chi2": -177.411865727432, + "chi3": -65.9797775074594, + "chi1": -95.1711564941697, "chi4": null, "chi5": null, - "a1": 121.864642467854, - "L4": 1.52174361708114, - "L5": 1.22702096658643, - "L2": 1.46063304438626, - "L3": 1.54453502374598, - "a7": 122.984094091719, - "L1": 1.33401841243447, + "a1": 120.779875341591, + "L4": 1.51619731867219, + "L5": 1.22892940398767, + "L2": 1.45045794286759, + "L3": 1.51792662591136, + "a7": 123.09283030481, + "L1": 1.32317786142312, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.345773073128, - "bs": 20.0, - "a2": 111.530480119215, - "a5": 120.026691912261, + "a3": 113.96557308602, + "bs": 60.0, + "a2": 110.135760474161, + "a5": 120.212439327929, "sidechain_LEU": null, - "chainIndex": 504, + "chainIndex": 575, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.199709836937 + "a4": 109.1112435481 } }, { - "pk": 1309, + "pk": 1308, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.142044086094, - "psi": -47.8543896963431, - "oldID": "288", - "bg": 0.0, + "a6": 116.559043116801, + "psi": -36.0417977492467, + "oldID": "577", + "bg": 59.92, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 74, "protein": "1TWF", - "zeta": 34.443453369186, + "zeta": 34.5289180948199, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1311, + "next": 1309, "sidechain_SER": null, - "bm": 92.0, + "bm": 53.0, "xpr": false, "prev": 1307, "terminal_flag": false, - "phi": -65.034508782761, + "phi": -71.9003201080569, "chainID": "A", "sidechain_GLN": null, - "ome": -179.981509053684, - "chi2": null, + "ome": 179.726938314056, + "chi2": 153.392739531396, "chi3": null, - "chi1": null, + "chi1": 36.6563451587995, "chi4": null, "chi5": null, - "a1": 121.256659553644, - "L4": 1.52111605723464, - "L5": 1.2294702584186, - "L2": 1.46049115015795, - "L3": 1.52115091709836, - "a7": 122.822053293716, - "L1": 1.33023420929382, + "a1": 121.772147413883, + "L4": 1.52306310704305, + "L5": 1.23187729950907, + "L2": 1.46076655473969, + "L3": 1.53920400137495, + "a7": 122.512379282278, + "L1": 1.33033488179779, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.795181377479, - "bs": 92.0, - "a2": 110.286192278263, - "a5": 121.034457966423, + "a3": 112.791181821717, + "bs": 59.0, + "a2": 111.139114344088, + "a5": 120.928550978647, "sidechain_LEU": null, - "chainIndex": 287, + "chainIndex": 576, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.892626660694 + "a4": 108.480594826164 } }, { - "pk": 1310, + "pk": 1309, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.145707718874, - "psi": 2.73975364135713, - "oldID": "506", - "bg": 21.72, + "a6": 116.121777216236, + "psi": -39.9263754694546, + "oldID": "578", + "bg": 39.1, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.3506236404089, + "protein": "1TWF", + "zeta": 34.4996479991321, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1312, + "next": 1310, "sidechain_SER": null, - "bm": 19.0, + "bm": 44.0, "xpr": false, "prev": 1308, "terminal_flag": false, - "phi": -75.7981769476264, + "phi": -57.6367130816524, "chainID": "A", - "sidechain_GLN": 47, - "ome": 178.878995808847, - "chi2": 179.556899144566, - "chi3": 46.1261195168903, - "chi1": -62.3285516360886, + "sidechain_GLN": null, + "ome": -179.036472064689, + "chi2": 57.7233987993128, + "chi3": null, + "chi1": -176.868425900028, "chi4": null, "chi5": null, - "a1": 122.736971424995, - "L4": 1.52289145100861, - "L5": 1.23886599676763, - "L2": 1.4675098971643, - "L3": 1.52967202672462, - "a7": 122.665735689795, - "L1": 1.33099009313408, + "a1": 119.95323693514, + "L4": 1.5306150701539, + "L5": 1.22875581491905, + "L2": 1.44927354139749, + "L3": 1.52883662251064, + "a7": 122.893016527908, + "L1": 1.32638052773181, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.77413011444, - "bs": 22.0, - "a2": 110.327455734485, - "a5": 120.143074875342, - "sidechain_LEU": null, - "chainIndex": 505, + "ss": "H", + "a3": 108.13981737076, + "bs": 38.0, + "a2": 110.430586701576, + "a5": 120.948685102581, + "sidechain_LEU": 112, + "chainIndex": 577, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 104.9537964453 + "a4": 110.551655971136 } }, { - "pk": 1311, + "pk": 1310, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.294332916122, - "psi": -41.5969089807462, - "oldID": "289", - "bg": 86.62, + "a6": 117.217167556601, + "psi": -24.2656991659207, + "oldID": "579", + "bg": 35.12, "sidechain_CYS": null, - "sidechain_ILE": 71, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5054679250993, + "zeta": 33.6552847767997, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1313, - "sidechain_SER": null, - "bm": 90.0, + "next": 1311, + "sidechain_SER": 63, + "bm": 43.0, "xpr": false, "prev": 1309, "terminal_flag": false, - "phi": -63.6006413305122, + "phi": -59.0686432297691, "chainID": "A", "sidechain_GLN": null, - "ome": 179.77123023458, - "chi2": 177.592648386729, + "ome": 178.134856338979, + "chi2": null, "chi3": null, - "chi1": -71.5929722383513, + "chi1": -53.9483214982985, "chi4": null, "chi5": null, - "a1": 120.706676995076, - "L4": 1.51604633837264, - "L5": 1.22825719314825, - "L2": 1.45136355199818, - "L3": 1.53181709422022, - "a7": 123.069413793535, - "L1": 1.32538857056482, + "a1": 121.665453999948, + "L4": 1.51452004928855, + "L5": 1.23017484650407, + "L2": 1.45490862486481, + "L3": 1.51983611667293, + "a7": 122.43049948685, + "L1": 1.32978473186701, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.300399971701, - "bs": 87.0, - "a2": 111.158740509986, - "a5": 120.636063066195, + "a3": 114.462538043305, + "bs": 38.0, + "a2": 109.489083128621, + "a5": 120.351743236151, "sidechain_LEU": null, - "chainIndex": 288, + "chainIndex": 578, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.2840781204 + "a4": 110.624969500744 } }, { - "pk": 1312, + "pk": 1311, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.348296394718, - "psi": 10.3091736121831, - "oldID": "507", - "bg": 0.0, + "a6": 116.722980853725, + "psi": -31.6480456031414, + "oldID": "580", + "bg": 41.87, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.4990504080347, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 98, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1314, + "next": 1312, "sidechain_SER": null, - "bm": 19.0, + "bm": 44.0, "xpr": false, "prev": 1310, "terminal_flag": false, - "phi": 84.945128215567, + "phi": -60.2045270529491, "chainID": "A", "sidechain_GLN": null, - "ome": -177.728153523797, + "ome": -179.6591831764, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -171.858131977207, "chi4": null, "chi5": null, - "a1": 121.346906938554, - "L4": 1.52546426368912, - "L5": 1.23292365946374, - "L2": 1.45253376279598, - "L3": null, - "a7": 121.694202010168, - "L1": 1.33040411561481, + "a1": 118.977609171311, + "L4": 1.53344753500362, + "L5": 1.23356910099748, + "L2": 1.44974874751708, + "L3": 1.53552143374263, + "a7": 122.628818389057, + "L1": 1.32488205286871, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.300956606354, - "bs": 0.0, - "a2": null, - "a5": 119.935973879897, + "ss": "H", + "a3": 106.867414378606, + "bs": 43.0, + "a2": 111.057180347769, + "a5": 120.637225941411, "sidechain_LEU": null, - "chainIndex": 506, + "chainIndex": 579, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.33457706363 } }, { - "pk": 1313, + "pk": 1312, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.392011226344, - "psi": -14.7536530830682, - "oldID": "290", - "bg": 93.13, + "a6": 115.818889795055, + "psi": -38.6678303961113, + "oldID": "581", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.631234015294, + "zeta": 34.0177588400776, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1315, + "next": 1313, "sidechain_SER": null, - "bm": 91.0, + "bm": 44.0, "xpr": false, "prev": 1311, "terminal_flag": false, - "phi": -59.8326505361386, + "phi": -71.4271350055665, "chainID": "A", "sidechain_GLN": null, - "ome": 179.613561597277, - "chi2": 174.253603183798, - "chi3": 47.4066561503285, - "chi1": -71.2153768874935, + "ome": 179.515616813473, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.203915522967, - "L4": 1.52507854450584, - "L5": 1.2283974577786, - "L2": 1.4549926819733, - "L3": 1.52699985999424, - "a7": 122.952973636857, - "L1": 1.32802311556694, + "a1": 121.139643077913, + "L4": 1.53290046822312, + "L5": 1.2326575391106, + "L2": 1.46710565492242, + "L3": 1.53178813977615, + "a7": 123.342342231576, + "L1": 1.33262105951536, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 103, + "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.559530665939, - "bs": 93.0, - "a2": 110.14871358231, - "a5": 120.655014638581, + "a3": 112.980565470471, + "bs": 45.0, + "a2": 110.171783205698, + "a5": 120.837767054772, "sidechain_LEU": null, - "chainIndex": 289, + "chainIndex": 580, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.615727489985 + "a4": 109.928080244232 } }, { - "pk": 1314, + "pk": 1313, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.947619737707, - "psi": -16.7690384316038, - "oldID": "508", - "bg": 24.16, + "a6": 117.04536932468, + "psi": 125.649988795621, + "oldID": "582", + "bg": 44.93, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.983352210582, + "sidechain_ILE": 75, + "protein": "1TWF", + "zeta": 35.0138452474562, "sidechain_PHE": null, - "sidechain_LYS": 86, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1316, + "next": 1314, "sidechain_SER": null, - "bm": 19.0, + "bm": 46.0, "xpr": false, "prev": 1312, "terminal_flag": false, - "phi": -81.2083315889228, + "phi": -74.6383147422845, "chainID": "A", "sidechain_GLN": null, - "ome": -174.337464437625, - "chi2": -171.132518555193, - "chi3": 164.807775713198, - "chi1": -51.6941565386852, - "chi4": -132.073664407157, + "ome": -179.330393162674, + "chi2": 168.104572245343, + "chi3": null, + "chi1": -64.0435930745307, + "chi4": null, "chi5": null, - "a1": 119.172479765143, - "L4": 1.53487934846697, - "L5": 1.23387564850268, - "L2": 1.47268585733264, - "L3": 1.52672589606149, - "a7": 122.242177208649, - "L1": 1.33239961119449, + "a1": 122.933828293936, + "L4": 1.52456992159482, + "L5": 1.23777630831084, + "L2": 1.46091752915993, + "L3": 1.52385531039645, + "a7": 122.243231767913, + "L1": 1.32852051114705, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 115.200258882525, - "bs": 26.0, - "a2": 110.124172090143, - "a5": 120.807273050762, + "ss": "S", + "a3": 109.167752789804, + "bs": 44.0, + "a2": 110.264470349555, + "a5": 120.709025219879, "sidechain_LEU": null, - "chainIndex": 507, + "chainIndex": 581, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.169547696186 + "a4": 109.551818525966 } }, { - "pk": 1315, + "pk": 1314, "model": "pgd_core.residue", "fields": { - "aa": "e", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 83, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.965240566627, - "psi": -53.6273117731019, - "oldID": "291", - "bg": 99.89, + "a6": 116.826339109014, + "psi": 158.889422497663, + "oldID": "583", + "bg": 49.22, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2325534324464, + "zeta": 36.5568373341659, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1317, + "next": 1315, "sidechain_SER": null, - "bm": 91.0, + "bm": 49.0, "xpr": false, "prev": 1313, "terminal_flag": false, - "phi": -78.0038237512347, + "phi": -71.7965202535945, "chainID": "A", "sidechain_GLN": null, - "ome": 179.625155703484, - "chi2": 80.2616084698544, - "chi3": 63.8854397691211, - "chi1": -162.274192787415, - "chi4": null, + "ome": -179.50292212504, + "chi2": -43.3668902730161, + "chi3": 33.3873591478323, + "chi1": 35.8562482570185, + "chi4": -10.6461445234748, "chi5": null, - "a1": 121.913092315472, - "L4": 1.52863843767759, - "L5": 1.22677876201489, - "L2": 1.45717467535129, - "L3": 1.53146931723193, - "a7": 123.043870921384, - "L1": 1.32933616647488, + "a1": 122.243998555128, + "L4": 1.53060545373265, + "L5": 1.22812150067272, + "L2": 1.46634645777168, + "L3": 1.52287745467212, + "a7": 122.222333480467, + "L1": 1.33978702718168, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 104, - "omep": null, - "ss": "H", - "a3": 108.302740351368, - "bs": 101.0, - "a2": 110.00761893649, - "a5": 120.990641689477, + "sidechain_GLU": null, + "omep": 0.906216649917494, + "ss": "-", + "a3": 115.784067729597, + "bs": 48.0, + "a2": 102.517842727982, + "a5": 120.951075795215, "sidechain_LEU": null, - "chainIndex": 290, + "chainIndex": 582, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.811742357546 + "a4": 113.170957994662 } }, { - "pk": 1316, + "pk": 1315, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 48, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.350286401963, - "psi": 119.155263181885, - "oldID": "509", - "bg": 18.73, + "a6": 115.443726218614, + "psi": 147.435311676666, + "oldID": "584", + "bg": 55.55, "sidechain_CYS": null, - "sidechain_ILE": 72, - "protein": "1H0H", - "zeta": 35.7333544008561, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.7891705841307, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1318, + "next": 1316, "sidechain_SER": null, - "bm": 17.0, + "bm": 52.0, "xpr": false, "prev": 1314, "terminal_flag": false, - "phi": -108.941557345884, + "phi": -68.2255844710381, "chainID": "A", "sidechain_GLN": null, - "ome": -177.117854712029, - "chi2": -49.8888597926361, + "ome": 178.211615472189, + "chi2": -46.2546172711416, "chi3": null, - "chi1": -60.811889842815, + "chi1": -46.4848405577582, "chi4": null, "chi5": null, - "a1": 120.291333479939, - "L4": 1.5187283488226, - "L5": 1.22483649787874, - "L2": 1.45393026162305, - "L3": 1.54006918931657, - "a7": 121.903275064307, - "L1": 1.32733472468181, + "a1": 120.184981727981, + "L4": 1.51613477605384, + "L5": 1.23427587503413, + "L2": 1.46093090118117, + "L3": 1.52220202114644, + "a7": 123.046426047987, + "L1": 1.32882949688764, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.097295835822, - "bs": 17.0, - "a2": 110.484033654847, - "a5": 120.737499230262, + "ss": "T", + "a3": 112.784483199565, + "bs": 56.0, + "a2": 110.915724790821, + "a5": 121.508999220847, "sidechain_LEU": null, - "chainIndex": 508, + "chainIndex": 583, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.56334330642 + "a4": 108.196389438261 } }, { - "pk": 1317, + "pk": 1316, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.484989326425, - "psi": -37.6717436990208, - "oldID": "292", + "a6": 115.813829163881, + "psi": 16.157559590122, + "oldID": "585", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5362586797377, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1319, + "next": 1317, "sidechain_SER": null, - "bm": 87.0, + "bm": 53.0, "xpr": false, "prev": 1315, "terminal_flag": false, - "phi": -60.9016077731757, + "phi": 92.033643036873, "chainID": "A", "sidechain_GLN": null, - "ome": 179.294286801855, + "ome": 178.88656855523, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.808835830908, - "L4": 1.52236539607636, - "L5": 1.22988351482108, - "L2": 1.45504707141877, - "L3": 1.52147561472749, - "a7": 123.023106807177, - "L1": 1.32883083979097, + "a1": 119.937859380828, + "L4": 1.50680258578746, + "L5": 1.23489204189435, + "L2": 1.44839179830755, + "L3": null, + "a7": 123.778998308063, + "L1": 1.32464086547594, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.261434076602, - "bs": 87.0, - "a2": 110.129371284422, - "a5": 120.491901184669, + "ss": "T", + "a3": 114.199042361922, + "bs": 0.0, + "a2": null, + "a5": 120.40531489115, "sidechain_LEU": null, - "chainIndex": 291, + "chainIndex": 584, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.108544388384 + "a4": null } }, { - "pk": 1318, + "pk": 1317, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.69347994014, - "psi": -37.0196974341772, - "oldID": "510", - "bg": 17.01, + "a6": 115.626096996977, + "psi": 135.70422604631, + "oldID": "586", + "bg": 47.03, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9693237906589, + "sidechain_ILE": 76, + "protein": "1TWF", + "zeta": 35.1468593961024, "sidechain_PHE": null, - "sidechain_LYS": 87, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1320, + "next": 1318, "sidechain_SER": null, - "bm": 15.0, + "bm": 51.0, "xpr": false, "prev": 1316, "terminal_flag": false, - "phi": -93.7454415322772, + "phi": -105.653321506356, "chainID": "A", "sidechain_GLN": null, - "ome": -178.661652384712, - "chi2": -50.5318750506799, - "chi3": 165.850373089478, - "chi1": -65.0595402783885, - "chi4": -173.851274675334, + "ome": 179.853265640317, + "chi2": -58.4077103318972, + "chi3": null, + "chi1": -61.566021216796, + "chi4": null, "chi5": null, - "a1": 118.891204927267, - "L4": 1.52487893262218, - "L5": 1.22206081674124, - "L2": 1.45619356159975, - "L3": 1.52902100225019, - "a7": 122.67860276563, - "L1": 1.32539673978702, + "a1": 121.74651726152, + "L4": 1.51354410453253, + "L5": 1.22835801023488, + "L2": 1.45437793338168, + "L3": 1.52913385271252, + "a7": 123.766990970077, + "L1": 1.32880966774777, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 113.852976644341, - "bs": 19.0, - "a2": 109.871380685878, - "a5": 120.580393425867, + "a3": 109.468465068069, + "bs": 47.0, + "a2": 111.998655882286, + "a5": 120.592863434695, "sidechain_LEU": null, - "chainIndex": 509, + "chainIndex": 585, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.077487960273 + "a4": 107.675953172864 } }, { - "pk": 1319, + "pk": 1318, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.027440746686, - "psi": -55.7460177148572, - "oldID": "293", - "bg": 90.63, + "a6": 117.268549039099, + "psi": 138.528544009931, + "oldID": "587", + "bg": 62.74, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8639015455826, + "zeta": 35.1522142005048, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1322, + "next": 1319, "sidechain_SER": null, - "bm": 84.0, + "bm": 56.0, "xpr": false, "prev": 1317, "terminal_flag": false, - "phi": -53.1597094811893, + "phi": -133.575511743635, "chainID": "A", "sidechain_GLN": null, - "ome": -179.685773703673, - "chi2": -147.941656544488, - "chi3": 68.6964455249341, - "chi1": -87.3344215867646, + "ome": -179.32727466638, + "chi2": null, + "chi3": null, + "chi1": -59.3093824692875, "chi4": null, "chi5": null, - "a1": 121.174445187163, - "L4": 1.5120723263132, - "L5": 1.22994226574097, - "L2": 1.45626586555527, - "L3": 1.52355356758142, - "a7": 123.181749427349, - "L1": 1.33145256725407, + "a1": 122.852124124914, + "L4": 1.52138112613775, + "L5": 1.23122561107922, + "L2": 1.45308152571761, + "L3": 1.53090436511204, + "a7": 122.81242883008, + "L1": 1.32838991583073, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 105, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.635057615812, - "bs": 91.0, - "a2": 111.35976472667, - "a5": 120.790805714893, + "ss": "-", + "a3": 107.671864403851, + "bs": 62.0, + "a2": 108.827890004316, + "a5": 119.916900260832, "sidechain_LEU": null, - "chainIndex": 292, - "sidechain_HIS": null, + "chainIndex": 586, + "sidechain_HIS": 48, "h_bond_energy": 0.0, - "a4": 108.349685448754 + "a4": 111.3505136305 } }, { - "pk": 1320, + "pk": 1319, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.163955795034, - "psi": 144.444009807377, - "oldID": "511", - "bg": 0.0, + "a6": 117.659731118833, + "psi": 101.82076141685, + "oldID": "588", + "bg": 63.38, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.7899607671764, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1321, + "next": 1320, "sidechain_SER": null, - "bm": 14.0, + "bm": 61.0, "xpr": false, "prev": 1318, "terminal_flag": false, - "phi": -124.512896269422, + "phi": -151.565924280488, "chainID": "A", "sidechain_GLN": null, - "ome": -174.894951233709, - "chi2": null, + "ome": 178.250913073254, + "chi2": 56.2317155532887, "chi3": null, - "chi1": null, + "chi1": -167.55051578893, "chi4": null, "chi5": null, - "a1": 121.398915773945, - "L4": 1.51824104855595, - "L5": 1.22568159289974, - "L2": 1.44316706303072, - "L3": null, - "a7": 122.228291197761, - "L1": 1.3233850386251, + "a1": 121.151746912459, + "L4": 1.53127782582682, + "L5": 1.22231082583447, + "L2": 1.46129783136139, + "L3": 1.53867211847281, + "a7": 121.78593648585, + "L1": 1.33238629137343, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 108.722530557019, - "bs": 0.0, - "a2": null, - "a5": 120.591892550887, + "a3": 112.526637308818, + "bs": 62.0, + "a2": 109.696398524912, + "a5": 120.552819530798, + "sidechain_LEU": 113, + "chainIndex": 587, + "sidechain_HIS": null, + "h_bond_energy": 0.0, + "a4": 109.615549002833 + } +}, +{ + "pk": 1320, + "model": "pgd_core.residue", + "fields": { + "aa": "q", + "sidechain_PRO": null, + "sidechain_ASN": null, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.64160527493, + "psi": 134.534508555464, + "oldID": "589", + "bg": 65.74, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.6313591231064, + "sidechain_PHE": null, + "sidechain_LYS": null, + "sidechain_VAL": null, + "sidechain_MET": null, + "sidechain_THR": null, + "sidechain_TRP": null, + "next": 1321, + "sidechain_SER": null, + "bm": 61.0, + "xpr": false, + "prev": 1319, + "terminal_flag": false, + "phi": -103.387549058937, + "chainID": "A", + "sidechain_GLN": 57, + "ome": 179.035974949727, + "chi2": -151.268228421546, + "chi3": 48.5576906562495, + "chi1": -76.7106357165531, + "chi4": null, + "chi5": null, + "a1": 119.733751964856, + "L4": 1.50812464484085, + "L5": 1.21924042945011, + "L2": 1.45506425069268, + "L3": 1.5268429109318, + "a7": 123.172087276351, + "L1": 1.32782197749678, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "E", + "a3": 109.101692393474, + "bs": 66.0, + "a2": 111.470936552018, + "a5": 120.18438492947, "sidechain_LEU": null, - "chainIndex": 510, + "chainIndex": 588, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.095702730626 } }, { "pk": 1321, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.997537546184, - "psi": 133.026252041827, - "oldID": "512", - "bg": 14.68, + "a6": 116.959005514551, + "psi": 117.746496736928, + "oldID": "590", + "bg": 61.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.6098355125959, - "sidechain_PHE": 50, + "protein": "1TWF", + "zeta": 34.1344259889424, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1323, + "next": 1322, "sidechain_SER": null, - "bm": 14.0, + "bm": 63.0, "xpr": false, "prev": 1320, "terminal_flag": false, - "phi": -140.999527841665, + "phi": -150.480811608135, "chainID": "A", "sidechain_GLN": null, - "ome": 170.375069935688, - "chi2": 49.6860529440657, - "chi3": null, - "chi1": -178.858116744422, - "chi4": null, - "chi5": null, - "a1": 120.068285455648, - "L4": 1.52545861163197, - "L5": 1.22428990882779, - "L2": 1.45814157637483, - "L3": 1.52791418367338, - "a7": 122.299039710556, - "L1": 1.32473184637534, - "sidechain_ARG": null, + "ome": -179.608096055953, + "chi2": 170.187113671599, + "chi3": 56.5540390591704, + "chi1": -176.977005638231, + "chi4": 62.1863033615221, + "chi5": 0.22719357995389, + "a1": 121.503756755496, + "L4": 1.52747069494339, + "L5": 1.22625459190153, + "L2": 1.4581250392447, + "L3": 1.54031625964893, + "a7": 122.422173800751, + "L1": 1.32677137484791, + "sidechain_ARG": 70, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 111.039166708845, - "bs": 14.0, - "a2": 105.970082197082, - "a5": 119.69706308619, + "a3": 108.455206437108, + "bs": 64.0, + "a2": 110.203462996519, + "a5": 120.598005971766, "sidechain_LEU": null, - "chainIndex": 511, + "chainIndex": 589, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.172363775668 + "a4": 111.340000792521 } }, { "pk": 1322, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.889144145276, - "psi": -34.1890647140288, - "oldID": "294", - "bg": 83.21, + "a6": 116.845894127985, + "psi": 125.900460653521, + "oldID": "591", + "bg": 71.1, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3830283489843, - "sidechain_PHE": null, + "zeta": 34.7528820445991, + "sidechain_PHE": 51, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1326, - "sidechain_SER": 66, - "bm": 79.0, + "next": 1323, + "sidechain_SER": null, + "bm": 69.0, "xpr": false, - "prev": 1319, + "prev": 1321, "terminal_flag": false, - "phi": -62.6525472170004, + "phi": -104.305026949021, "chainID": "A", "sidechain_GLN": null, - "ome": 179.348599969283, - "chi2": null, + "ome": 179.284258435191, + "chi2": 74.3590912699656, "chi3": null, - "chi1": 68.9279004314921, + "chi1": -64.9766768228945, "chi4": null, "chi5": null, - "a1": 120.651238538156, - "L4": 1.53015336768165, - "L5": 1.23118974598507, - "L2": 1.45032743081969, - "L3": 1.52795281231211, - "a7": 122.665145243721, - "L1": 1.32704820954131, + "a1": 120.879273710574, + "L4": 1.51716754453908, + "L5": 1.22746792279297, + "L2": 1.45858944163874, + "L3": 1.5317197742095, + "a7": 123.021313298656, + "L1": 1.32812414338565, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.872028694623, - "bs": 82.0, - "a2": 110.237104166168, - "a5": 120.44571060792, + "ss": "-", + "a3": 111.557586175041, + "bs": 72.0, + "a2": 110.685559221884, + "a5": 120.13276096861, "sidechain_LEU": null, - "chainIndex": 293, + "chainIndex": 590, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.102066324537 + "a4": 108.977173060138 } }, { "pk": 1323, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.749504260584, - "psi": 119.350032516675, - "oldID": "513", - "bg": 15.48, + "chain": "1TWFA", + "sidechain_ASP": 87, + "a6": 117.723798995752, + "psi": -167.318535370778, + "oldID": "592", + "bg": 73.24, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7300588229852, - "sidechain_PHE": 51, + "protein": "1TWF", + "zeta": 33.9254113570508, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -143496,59 +131392,59 @@ "sidechain_TRP": null, "next": 1324, "sidechain_SER": null, - "bm": 14.0, + "bm": 74.0, "xpr": false, - "prev": 1321, + "prev": 1322, "terminal_flag": false, - "phi": -101.119071738502, + "phi": -98.5570612319377, "chainID": "A", "sidechain_GLN": null, - "ome": 172.964447341227, - "chi2": -85.5511534725008, + "ome": -179.203493180636, + "chi2": -43.0600057703032, "chi3": null, - "chi1": -67.6276984089942, + "chi1": -62.8704522669519, "chi4": null, "chi5": null, - "a1": 119.588921900451, - "L4": 1.52341125148738, - "L5": 1.23092023447389, - "L2": 1.45879597205378, - "L3": 1.52284948881544, - "a7": 123.68174099902, - "L1": 1.32874890396225, + "a1": 121.149511416123, + "L4": 1.53302882803636, + "L5": 1.22582582089058, + "L2": 1.45904292770858, + "L3": 1.53826326926554, + "a7": 122.43725626036, + "L1": 1.33038583659455, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.614273882533, - "bs": 16.0, - "a2": 111.855129220879, - "a5": 119.565539689563, + "ss": "-", + "a3": 109.749222880026, + "bs": 72.0, + "a2": 110.669456840107, + "a5": 119.83624308435, "sidechain_LEU": null, - "chainIndex": 512, + "chainIndex": 591, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.974650407799 + "a4": 110.720602243518 } }, { "pk": 1324, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.053044794964, - "psi": 80.7933075240172, - "oldID": "514", - "bg": 0.0, + "a6": 116.471737042658, + "psi": -84.0801095016562, + "oldID": "593", + "bg": 89.06, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3079977378687, + "protein": "1TWF", + "zeta": 34.022250954393, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -143557,223 +131453,223 @@ "sidechain_TRP": null, "next": 1325, "sidechain_SER": null, - "bm": 14.0, + "bm": 80.0, "xpr": false, "prev": 1323, "terminal_flag": false, - "phi": -104.165384237198, + "phi": -27.3308764959622, "chainID": "A", "sidechain_GLN": null, - "ome": -171.820666925566, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -179.505858483401, + "chi2": 174.561753130125, + "chi3": 53.9791290627296, + "chi1": -82.5912419514641, "chi4": null, "chi5": null, - "a1": 120.859882805495, - "L4": 1.51762700844527, - "L5": 1.23700196389918, - "L2": 1.46573953038427, - "L3": 1.50330694129267, - "a7": 122.687902943879, - "L1": 1.33006961449683, + "a1": 122.091456914986, + "L4": 1.5240154016607, + "L5": 1.23557740334481, + "L2": 1.46398997344578, + "L3": 1.52445244445358, + "a7": 123.002483968338, + "L1": 1.33097073449262, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 99, "omep": null, - "ss": "E", - "a3": 102.056471640933, - "bs": 15.0, - "a2": 110.589334777, - "a5": 122.061847857538, + "ss": "T", + "a3": 115.882389235689, + "bs": 90.0, + "a2": 110.404877579269, + "a5": 120.521342166989, "sidechain_LEU": null, - "chainIndex": 513, + "chainIndex": 592, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.825442853116 + "a4": 108.672089229534 } }, { "pk": 1325, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.731057204049, - "psi": 98.3260451601634, - "oldID": "515", - "bg": 14.47, + "a6": 116.256122835974, + "psi": 22.1589583497173, + "oldID": "594", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0478543821316, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 20, - "next": 1327, + "sidechain_TRP": null, + "next": 1326, "sidechain_SER": null, - "bm": 14.0, + "bm": 77.0, "xpr": false, "prev": 1324, "terminal_flag": false, - "phi": -95.1060854939646, + "phi": -105.395485308351, "chainID": "A", "sidechain_GLN": null, - "ome": 178.429293508205, - "chi2": -59.7324593708926, + "ome": -179.763610505, + "chi2": null, "chi3": null, - "chi1": -154.902793574415, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.115261980922, - "L4": 1.52267262685754, - "L5": 1.22986403558526, - "L2": 1.46124680034539, - "L3": 1.53129868187838, - "a7": 122.804284712571, - "L1": 1.32420099514887, + "a1": 120.291689442372, + "L4": 1.5101207852894, + "L5": 1.23017941682726, + "L2": 1.45092215762915, + "L3": null, + "a7": 122.487139833061, + "L1": 1.32961292274505, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.496488686283, - "bs": 15.0, - "a2": 110.912733494258, - "a5": 120.451766107394, + "ss": "T", + "a3": 112.842727908857, + "bs": 0.0, + "a2": null, + "a5": 121.256716330925, "sidechain_LEU": null, - "chainIndex": 514, + "chainIndex": 593, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.707592225089 + "a4": null } }, { "pk": 1326, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.048170695867, - "psi": -51.8114960000125, - "oldID": "295", - "bg": 74.02, + "a6": 115.936115395868, + "psi": 127.049112375772, + "oldID": "595", + "bg": 73.71, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2786873635636, + "zeta": 34.7070118789504, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 64, "sidechain_TRP": null, - "next": 1328, + "next": 1327, "sidechain_SER": null, - "bm": 74.0, + "bm": 73.0, "xpr": false, - "prev": 1322, + "prev": 1325, "terminal_flag": false, - "phi": -61.7238297005359, + "phi": -57.7447047267586, "chainID": "A", "sidechain_GLN": null, - "ome": 179.158625972358, - "chi2": 68.2245992428636, + "ome": 179.467288970647, + "chi2": null, "chi3": null, - "chi1": 177.002998493996, + "chi1": -56.1728297677616, "chi4": null, "chi5": null, - "a1": 121.31673758485, - "L4": 1.52307325444402, - "L5": 1.23154408382976, - "L2": 1.45971961390827, - "L3": 1.52835067008664, - "a7": 123.695084991601, - "L1": 1.33157349579482, + "a1": 120.014007496645, + "L4": 1.5212874864214, + "L5": 1.22882935556488, + "L2": 1.44821046010346, + "L3": 1.52645520937692, + "a7": 123.052839835496, + "L1": 1.32241411080604, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.786053690873, + "ss": "-", + "a3": 110.514353743929, "bs": 73.0, - "a2": 110.914609926318, - "a5": 121.252839574695, - "sidechain_LEU": 109, - "chainIndex": 294, + "a2": 110.63753395412, + "a5": 121.009104986597, + "sidechain_LEU": null, + "chainIndex": 594, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.667379722714 + "a4": 109.383782018213 } }, { "pk": 1327, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.450303750751, - "psi": 29.3271408948878, - "oldID": "516", - "bg": 0.0, + "a6": 117.642146553546, + "psi": 176.911813888575, + "oldID": "596", + "bg": 76.31, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 35.4698699641478, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 65, "sidechain_TRP": null, - "next": 1330, + "next": 1328, "sidechain_SER": null, - "bm": 15.0, + "bm": 74.0, "xpr": false, - "prev": 1325, + "prev": 1326, "terminal_flag": false, - "phi": 71.7363807274382, + "phi": -125.865009329331, "chainID": "A", "sidechain_GLN": null, - "ome": 173.191637485481, + "ome": 179.987822964401, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -17.0529635498552, "chi4": null, "chi5": null, - "a1": 119.220236835518, - "L4": 1.53890702612109, - "L5": 1.23195723580655, - "L2": 1.45671174245099, - "L3": null, - "a7": 122.785572224829, - "L1": 1.33160371797845, + "a1": 121.737753543563, + "L4": 1.5143784862824, + "L5": 1.22294163977056, + "L2": 1.45714322814812, + "L3": 1.52552430608809, + "a7": 122.341876593402, + "L1": 1.32527694113847, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.575082199224, - "bs": 0.0, - "a2": null, - "a5": 119.714520121466, + "ss": "-", + "a3": 107.262397603177, + "bs": 75.0, + "a2": 111.382049425579, + "a5": 120.014791339806, "sidechain_LEU": null, - "chainIndex": 515, + "chainIndex": 595, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.314898832816 } }, { @@ -143785,14 +131681,14 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.867934582735, - "psi": -55.1077195945834, - "oldID": "296", - "bg": 66.92, + "a6": 114.979736351335, + "psi": -7.0893326650381, + "oldID": "597", + "bg": 79.53, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.2290003628855, + "zeta": 35.0475071116939, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -143801,772 +131697,772 @@ "sidechain_TRP": null, "next": 1329, "sidechain_SER": null, - "bm": 68.0, + "bm": 74.0, "xpr": false, - "prev": 1326, + "prev": 1327, "terminal_flag": false, - "phi": -52.5879330861719, + "phi": -65.5077552494597, "chainID": "A", "sidechain_GLN": null, - "ome": 178.892079355329, - "chi2": 55.03166325713, + "ome": 179.233702848718, + "chi2": 98.5915190686145, "chi3": null, - "chi1": -167.689643065147, + "chi1": -40.4405987812509, "chi4": null, "chi5": null, - "a1": 122.931567102635, - "L4": 1.52872898460083, - "L5": 1.22918221806378, - "L2": 1.45497238976404, - "L3": 1.53428857815007, - "a7": 123.284868139442, - "L1": 1.33029693105519, + "a1": 119.671763381582, + "L4": 1.51634394095455, + "L5": 1.22971851495205, + "L2": 1.45507515543056, + "L3": 1.5170805994817, + "a7": 123.816096980238, + "L1": 1.32389329029855, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 108.013171811982, - "bs": 66.0, - "a2": 109.654202885647, - "a5": 120.846412346796, - "sidechain_LEU": 110, - "chainIndex": 295, + "ss": "T", + "a3": 108.794856020583, + "bs": 79.0, + "a2": 110.323502611921, + "a5": 121.199827643175, + "sidechain_LEU": 114, + "chainIndex": 596, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.302545528513 + "a4": 109.545690692674 } }, { "pk": 1329, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.058395763792, - "psi": -49.3547419145524, - "oldID": "297", - "bg": 62.12, + "a6": 115.806889338847, + "psi": 35.5312348387126, + "oldID": "598", + "bg": 78.23, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3998624016113, + "zeta": 35.3284513490691, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1331, + "next": 1330, "sidechain_SER": null, - "bm": 66.0, + "bm": 76.0, "xpr": false, "prev": 1328, "terminal_flag": false, - "phi": -47.8251388678317, + "phi": -129.855098455785, "chainID": "A", - "sidechain_GLN": 48, - "ome": -179.323393386328, - "chi2": 70.4726828208026, - "chi3": 74.0111708390702, - "chi1": 169.696268487244, + "sidechain_GLN": null, + "ome": -179.458765192428, + "chi2": 177.507391763488, + "chi3": null, + "chi1": -88.9545753897878, "chi4": null, "chi5": null, - "a1": 122.567550389774, - "L4": 1.51992164512267, - "L5": 1.22948081443497, - "L2": 1.45545221593341, - "L3": 1.53073993245681, - "a7": 123.087283594074, - "L1": 1.33040072502418, + "a1": 123.648198914272, + "L4": 1.5242001084501, + "L5": 1.23331279209049, + "L2": 1.45690287452124, + "L3": 1.52750354819103, + "a7": 123.315475299824, + "L1": 1.32772034897362, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.194021294069, - "bs": 60.0, - "a2": 110.360028704391, - "a5": 120.854320416963, - "sidechain_LEU": null, - "chainIndex": 296, + "ss": "T", + "a3": 108.780134859397, + "bs": 78.0, + "a2": 110.376442501136, + "a5": 120.87402397378, + "sidechain_LEU": 115, + "chainIndex": 597, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.758651394489 + "a4": 109.144966485231 } }, { "pk": 1330, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.083547568985, - "psi": 161.697939156025, - "oldID": "517", - "bg": 15.87, + "a6": 116.61177403313, + "psi": 100.169779363836, + "oldID": "599", + "bg": 74.67, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2601706320536, + "protein": "1TWF", + "zeta": 34.677208421937, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1332, - "sidechain_SER": null, - "bm": 16.0, + "next": 1331, + "sidechain_SER": 64, + "bm": 75.0, "xpr": false, - "prev": 1327, + "prev": 1329, "terminal_flag": false, - "phi": -143.060785739528, + "phi": -34.0296802204877, "chainID": "A", - "sidechain_GLN": 49, - "ome": -176.56063272262, - "chi2": -161.273531038268, - "chi3": -99.9426117444125, - "chi1": -71.6716104397493, + "sidechain_GLN": null, + "ome": 179.709850017361, + "chi2": null, + "chi3": null, + "chi1": 57.2973303582793, "chi4": null, "chi5": null, - "a1": 122.055468229445, - "L4": 1.52643184995656, - "L5": 1.24620122756326, - "L2": 1.47461689959854, - "L3": 1.54177537289435, - "a7": 123.320135494044, - "L1": 1.32682535126519, + "a1": 122.198914238389, + "L4": 1.51417353571335, + "L5": 1.22698763487247, + "L2": 1.45418944179439, + "L3": 1.52705780444434, + "a7": 122.038917744489, + "L1": 1.32875290626018, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 108.959517806229, - "bs": 15.0, - "a2": 112.630084644743, - "a5": 120.575056082636, + "a3": 112.252016064864, + "bs": 75.0, + "a2": 110.430382999138, + "a5": 121.346151023571, "sidechain_LEU": null, - "chainIndex": 516, + "chainIndex": 598, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.932612844518 + "a4": 109.120142166919 } }, { "pk": 1331, "model": "pgd_core.residue", "fields": { - "aa": "f", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 84, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.09184055793, - "psi": -39.2541432646655, - "oldID": "298", - "bg": 70.12, + "a6": 116.319867084344, + "psi": -42.3450867036047, + "oldID": "600", + "bg": 74.36, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6266858470585, - "sidechain_PHE": 52, + "zeta": 37.6494773100698, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1333, + "next": 1332, "sidechain_SER": null, - "bm": 69.0, + "bm": 72.0, "xpr": false, - "prev": 1329, + "prev": 1330, "terminal_flag": false, - "phi": -57.4450251145488, + "phi": -59.4893106941381, "chainID": "A", "sidechain_GLN": null, - "ome": 179.986027909598, - "chi2": 59.6493235964215, - "chi3": null, - "chi1": -169.273827058129, - "chi4": null, + "ome": -179.442033456777, + "chi2": -43.8296499829369, + "chi3": 40.9818802797701, + "chi1": 28.9803301893484, + "chi4": -24.0771759833895, "chi5": null, - "a1": 121.821311595066, - "L4": 1.52406229065246, - "L5": 1.22812034475805, - "L2": 1.4548096588862, - "L3": 1.53185881733585, - "a7": 122.566371933639, - "L1": 1.32714207007409, + "a1": 121.231726148257, + "L4": 1.53077712015624, + "L5": 1.22885930305555, + "L2": 1.46064112411031, + "L3": 1.52912134691324, + "a7": 123.304989753735, + "L1": 1.33321071242528, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.567228326838, - "bs": 69.0, - "a2": 110.250339580145, - "a5": 120.341758511454, + "omep": 3.0715396775256, + "ss": "T", + "a3": 111.126717711584, + "bs": 74.0, + "a2": 102.720563922732, + "a5": 120.370978424903, "sidechain_LEU": null, - "chainIndex": 297, + "chainIndex": 599, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.580846235457 + "a4": 112.685522793351 } }, { "pk": 1332, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "k", "sidechain_PRO": null, - "sidechain_ASN": 53, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.883202038544, - "psi": 65.4823729925025, - "oldID": "518", - "bg": 13.88, + "a6": 116.438158734206, + "psi": -1.25157448453085, + "oldID": "601", + "bg": 70.23, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.78161792154, + "protein": "1TWF", + "zeta": 35.4892293974913, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 77, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1334, + "next": 1333, "sidechain_SER": null, - "bm": 13.0, + "bm": 64.0, "xpr": false, - "prev": 1330, + "prev": 1331, "terminal_flag": false, - "phi": -126.863353428487, + "phi": -72.0686676731212, "chainID": "A", "sidechain_GLN": null, - "ome": -176.520164567572, - "chi2": 22.2151565888359, - "chi3": null, - "chi1": -170.492456895658, - "chi4": null, + "ome": -178.717092637148, + "chi2": 172.938793725994, + "chi3": -173.964777919541, + "chi1": -56.2335486153499, + "chi4": 166.154262738788, "chi5": null, - "a1": 122.693092174911, - "L4": 1.52354194345521, - "L5": 1.23754703994946, - "L2": 1.46403690209831, - "L3": 1.54802143465201, - "a7": 121.691588578136, - "L1": 1.33309543122241, + "a1": 123.054542464989, + "L4": 1.52473978193912, + "L5": 1.23474923052637, + "L2": 1.46730973254173, + "L3": 1.52979897514779, + "a7": 123.337207013728, + "L1": 1.33497296559881, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.92379595596, - "bs": 13.0, - "a2": 108.70575250064, - "a5": 122.397225247223, + "ss": "T", + "a3": 112.482899305011, + "bs": 71.0, + "a2": 110.423572621449, + "a5": 120.22420945813, "sidechain_LEU": null, - "chainIndex": 517, + "chainIndex": 600, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.965146705318 + "a4": 107.809284972808 } }, { "pk": 1333, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.941920046226, - "psi": -36.2386195334447, - "oldID": "299", - "bg": 75.57, + "sidechain_ASP": 88, + "a6": 113.464278013491, + "psi": 37.3811146501617, + "oldID": "602", + "bg": 48.65, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.6993720750248, + "zeta": 34.6224062075996, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1335, + "next": 1334, "sidechain_SER": null, - "bm": 70.0, + "bm": 55.0, "xpr": false, - "prev": 1331, + "prev": 1332, "terminal_flag": false, - "phi": -77.435853689523, + "phi": 63.5778920555614, "chainID": "A", "sidechain_GLN": null, - "ome": 179.1286013776, - "chi2": null, + "ome": -178.84785876041, + "chi2": 25.7990337916603, "chi3": null, - "chi1": -79.3377493270432, + "chi1": -161.174245310088, "chi4": null, "chi5": null, - "a1": 120.439995992598, - "L4": 1.51795518183265, - "L5": 1.22782290373965, - "L2": 1.45673241787281, - "L3": 1.52916383262708, - "a7": 122.853523637104, - "L1": 1.32866794745302, + "a1": 121.733382083184, + "L4": 1.53317624005129, + "L5": 1.23102549775818, + "L2": 1.45865722938828, + "L3": 1.53306228555453, + "a7": 124.028102687058, + "L1": 1.33069883584881, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.942649965883, - "bs": 76.0, - "a2": 110.657675101103, - "a5": 120.204246604584, + "ss": "-", + "a3": 104.574392068859, + "bs": 49.0, + "a2": 109.590204083263, + "a5": 122.507540227024, "sidechain_LEU": null, - "chainIndex": 298, - "sidechain_HIS": 46, + "chainIndex": 601, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.993034352769 + "a4": 112.109316309535 } }, { "pk": 1334, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 68, - "sidechain_ASN": null, - "chain": "1H0HA", + "aa": "n", + "sidechain_PRO": null, + "sidechain_ASN": 49, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 119.303689534032, - "psi": -21.9131736927991, - "oldID": "519", - "bg": 13.18, + "a6": 116.162553764592, + "psi": 179.823857104934, + "oldID": "603", + "bg": 59.85, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.7752358196351, + "protein": "1TWF", + "zeta": 36.5855388159283, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1336, + "next": 1335, "sidechain_SER": null, - "bm": 13.0, + "bm": 52.0, "xpr": false, - "prev": 1332, + "prev": 1333, "terminal_flag": false, - "phi": -58.7502918913041, + "phi": -79.9650188406585, "chainID": "A", "sidechain_GLN": null, - "ome": 176.848585262137, - "chi2": -39.284457697576, - "chi3": 38.0618251661104, - "chi1": 24.735944780968, - "chi4": -23.688544233812, + "ome": 179.565903234898, + "chi2": -24.0493086369586, + "chi3": null, + "chi1": -140.362273813064, + "chi4": null, "chi5": null, - "a1": 121.085281022608, - "L4": 1.52823493670804, - "L5": 1.22510995996536, - "L2": 1.46962044303464, - "L3": 1.53466088170013, - "a7": 123.48060440393, - "L1": 1.32926658187724, + "a1": 125.69930020105, + "L4": 1.53254322172146, + "L5": 1.22536558541717, + "L2": 1.45742957007372, + "L3": 1.52958687337649, + "a7": 122.591451611553, + "L1": 1.32870884380109, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 1.90560344319705, - "ss": "H", - "a3": 114.480465124012, - "bs": 13.0, - "a2": 103.40988946991, - "a5": 117.21565579392, + "omep": null, + "ss": "-", + "a3": 112.028680277846, + "bs": 60.0, + "a2": 108.023273946048, + "a5": 121.24084612309, "sidechain_LEU": null, - "chainIndex": 518, + "chainIndex": 602, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.490046524502 + "a4": 108.827869610088 } }, { "pk": 1335, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.932328881345, - "psi": -33.0678386594667, - "oldID": "300", - "bg": 60.88, + "a6": 115.99773417313, + "psi": -159.723967221524, + "oldID": "604", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.599347023712, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 90, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1338, + "next": 1336, "sidechain_SER": null, - "bm": 68.0, + "bm": 46.0, "xpr": false, - "prev": 1333, + "prev": 1334, "terminal_flag": false, - "phi": -71.0971898664352, + "phi": 52.1961402518721, "chainID": "A", "sidechain_GLN": null, - "ome": 179.665367942362, + "ome": 179.306353127611, "chi2": null, "chi3": null, - "chi1": 176.875475452326, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.442962429137, - "L4": 1.52758781168242, - "L5": 1.23169664330417, - "L2": 1.45376807627754, - "L3": 1.53871738539791, - "a7": 123.126275735091, - "L1": 1.328867789737, + "a1": 121.350142744809, + "L4": 1.51569919684541, + "L5": 1.22974928450547, + "L2": 1.45519582481198, + "L3": null, + "a7": 123.289785114237, + "L1": 1.32941156301686, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.068989847889, - "bs": 63.0, - "a2": 111.293984529175, - "a5": 120.941074513052, + "ss": "S", + "a3": 115.490226759463, + "bs": 0.0, + "a2": null, + "a5": 120.701261739839, "sidechain_LEU": null, - "chainIndex": 299, + "chainIndex": 603, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.370701694218 + "a4": null } }, { "pk": 1336, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.75620619071, - "psi": -13.753664143451, - "oldID": "520", - "bg": 0.0, + "a6": 116.675558403254, + "psi": 146.074406066078, + "oldID": "605", + "bg": 44.77, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6335161486026, + "protein": "1TWF", + "zeta": 35.331382419956, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 34, "sidechain_THR": null, "sidechain_TRP": null, "next": 1337, "sidechain_SER": null, - "bm": 13.0, + "bm": 45.0, "xpr": false, - "prev": 1334, + "prev": 1335, "terminal_flag": false, - "phi": -66.9577726885486, + "phi": -154.67435588409, "chainID": "A", "sidechain_GLN": null, - "ome": 173.122037768954, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 179.739593162131, + "chi2": 59.3145426702142, + "chi3": -111.332297851598, + "chi1": -169.191106853522, "chi4": null, "chi5": null, - "a1": 121.662106432431, - "L4": 1.52298573925737, - "L5": 1.2415957727777, - "L2": 1.46623786286278, - "L3": 1.52347519953464, - "a7": 123.631062279422, - "L1": 1.33465694826313, + "a1": 122.281909743987, + "L4": 1.52748712782646, + "L5": 1.23515041819602, + "L2": 1.45779453788989, + "L3": 1.5266772762469, + "a7": 123.323387979639, + "L1": 1.33069981584266, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.36055719833, - "bs": 15.0, - "a2": 111.847241931834, - "a5": 120.461793955369, + "ss": "E", + "a3": 108.670706007749, + "bs": 43.0, + "a2": 109.969168380394, + "a5": 120.000695232631, "sidechain_LEU": null, - "chainIndex": 519, + "chainIndex": 604, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.262070899486 + "a4": 109.544534038038 } }, { "pk": 1337, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.929230853133, - "psi": -31.7620301126386, - "oldID": "521", - "bg": 16.85, - "sidechain_CYS": 27, + "a6": 117.076993170718, + "psi": 97.4468907054677, + "oldID": "606", + "bg": 47.05, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7128383501959, + "protein": "1TWF", + "zeta": 35.0724785139268, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1339, + "next": 1338, "sidechain_SER": null, - "bm": 14.0, + "bm": 46.0, "xpr": false, "prev": 1336, "terminal_flag": false, - "phi": -116.885737927932, + "phi": -155.042372124078, "chainID": "A", "sidechain_GLN": null, - "ome": -172.892285744959, - "chi2": null, + "ome": -179.593547426853, + "chi2": 61.8284293812223, "chi3": null, - "chi1": -76.2177120069715, + "chi1": 175.172182695265, "chi4": null, "chi5": null, - "a1": 120.743958705137, - "L4": 1.51303690504655, - "L5": 1.21147371652335, - "L2": 1.44764622197559, - "L3": 1.52191450255937, - "a7": 122.269451801097, - "L1": 1.32673860839631, + "a1": 122.218769606479, + "L4": 1.52016257268007, + "L5": 1.22084867489453, + "L2": 1.45145931774847, + "L3": 1.52601301620506, + "a7": 122.300476983454, + "L1": 1.33192914780944, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.792472524843, - "bs": 16.0, - "a2": 110.815966160545, - "a5": 119.799917148436, - "sidechain_LEU": null, - "chainIndex": 520, + "ss": "E", + "a3": 109.759489778524, + "bs": 45.0, + "a2": 110.216083222578, + "a5": 120.621984500892, + "sidechain_LEU": 116, + "chainIndex": 605, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.806840555794 + "a4": 109.472955655594 } }, { "pk": 1338, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.189098120255, - "psi": -51.1358790663104, - "oldID": "301", - "bg": 0.0, + "a6": 117.075776409539, + "psi": 116.390056151307, + "oldID": "607", + "bg": 48.35, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 77, "protein": "1TWF", - "zeta": 34.7575596825859, + "zeta": 35.3745210352069, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1340, + "next": 1339, "sidechain_SER": null, - "bm": 70.0, + "bm": 51.0, "xpr": false, - "prev": 1335, + "prev": 1337, "terminal_flag": false, - "phi": -73.7970639098875, + "phi": -109.226088777891, "chainID": "A", "sidechain_GLN": null, - "ome": -179.92250111926, - "chi2": null, + "ome": -179.576031044166, + "chi2": 161.262778562219, "chi3": null, - "chi1": null, + "chi1": -60.481744493601, "chi4": null, "chi5": null, - "a1": 122.541482854857, - "L4": 1.52555954049703, - "L5": 1.23051147768299, - "L2": 1.4600866859342, - "L3": 1.52593944496702, - "a7": 122.936366158261, - "L1": 1.33020280274787, + "a1": 120.677116970387, + "L4": 1.52226146727668, + "L5": 1.23336548919443, + "L2": 1.44923992993804, + "L3": 1.53600142347064, + "a7": 122.381491251122, + "L1": 1.32242373223648, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.168557749301, - "bs": 68.0, - "a2": 109.920828458959, - "a5": 120.87446393336, + "ss": "E", + "a3": 108.332082762042, + "bs": 48.0, + "a2": 110.459135870909, + "a5": 120.542607540863, "sidechain_LEU": null, - "chainIndex": 300, + "chainIndex": 606, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.026362969563 + "a4": 109.287379039331 } }, { "pk": 1339, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.544384607191, - "psi": -23.8153749207551, - "oldID": "522", - "bg": 11.77, + "a6": 116.157486481674, + "psi": 127.788310347438, + "oldID": "608", + "bg": 54.49, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.26348053818, + "sidechain_ILE": 78, + "protein": "1TWF", + "zeta": 34.3572074061551, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1341, - "sidechain_SER": 67, - "bm": 14.0, + "next": 1340, + "sidechain_SER": null, + "bm": 52.0, "xpr": false, - "prev": 1337, + "prev": 1338, "terminal_flag": false, - "phi": -89.7589564798734, + "phi": -114.701297783914, "chainID": "A", "sidechain_GLN": null, - "ome": 179.559053861801, - "chi2": null, + "ome": -179.861421939747, + "chi2": 175.782420629415, "chi3": null, - "chi1": 59.3799839386691, + "chi1": -54.4403577825078, "chi4": null, "chi5": null, - "a1": 120.18410383876, - "L4": 1.52903705699808, - "L5": 1.22872884286202, - "L2": 1.4579355451577, - "L3": 1.53119784545389, - "a7": 122.778663311457, - "L1": 1.33403372058381, + "a1": 119.70234399335, + "L4": 1.51863770802763, + "L5": 1.228491896863, + "L2": 1.44371006288845, + "L3": 1.55316676008449, + "a7": 122.777439798327, + "L1": 1.32552169029925, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 115.459417780575, - "bs": 12.0, - "a2": 111.333262101228, - "a5": 119.658951007595, + "ss": "E", + "a3": 110.673361877368, + "bs": 53.0, + "a2": 110.736943138593, + "a5": 121.064190048848, "sidechain_LEU": null, - "chainIndex": 521, + "chainIndex": 607, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.192393711274 + "a4": 110.096243448206 } }, { "pk": 1340, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.783288182558, - "psi": -37.1506940510338, - "oldID": "302", - "bg": 76.16, + "sidechain_ASP": 89, + "a6": 116.814244090945, + "psi": 46.1260671476122, + "oldID": "609", + "bg": 55.2, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5808239495047, + "zeta": 34.4317910456165, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 68, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1342, + "next": 1341, "sidechain_SER": null, - "bm": 74.0, + "bm": 56.0, "xpr": false, - "prev": 1338, + "prev": 1339, "terminal_flag": false, - "phi": -59.4885405248708, + "phi": 50.5657684393624, "chainID": "A", "sidechain_GLN": null, - "ome": 179.544441401433, - "chi2": null, + "ome": 178.693276738148, + "chi2": 7.37959036315659, "chi3": null, - "chi1": -64.7001939017281, + "chi1": -163.140936948238, "chi4": null, "chi5": null, - "a1": 121.187346365067, - "L4": 1.52608796978683, - "L5": 1.22719650172601, - "L2": 1.45341941962737, - "L3": 1.54040369714796, - "a7": 122.681739684847, - "L1": 1.32863081863999, + "a1": 121.445926886935, + "L4": 1.52748641252813, + "L5": 1.22820357822323, + "L2": 1.45593526242294, + "L3": 1.53355876923066, + "a7": 122.747108853357, + "L1": 1.32502489245555, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.10751388119, - "bs": 76.0, - "a2": 111.382195422427, - "a5": 120.534707935096, + "ss": "T", + "a3": 111.369852494455, + "bs": 54.0, + "a2": 110.509388867446, + "a5": 120.435225198403, "sidechain_LEU": null, - "chainIndex": 301, + "chainIndex": 608, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.730572536349 + "a4": 109.647766668337 } }, { @@ -144576,15 +132472,15 @@ "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.302562542245, - "psi": 154.106426076894, - "oldID": "523", + "a6": 116.109267960543, + "psi": 28.3953285401537, + "oldID": "610", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", + "protein": "1TWF", "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, @@ -144592,39 +132488,39 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1343, + "next": 1342, "sidechain_SER": null, - "bm": 16.0, + "bm": 56.0, "xpr": false, - "prev": 1339, + "prev": 1340, "terminal_flag": false, - "phi": -75.4916027818088, + "phi": 68.04718226565, "chainID": "A", "sidechain_GLN": null, - "ome": 174.746751495696, + "ome": 179.822704922128, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.444681357954, - "L4": 1.52080078157622, - "L5": 1.21302604985437, - "L2": 1.46105340430537, + "a1": 120.81361492709, + "L4": 1.52089631448318, + "L5": 1.24023677226012, + "L2": 1.45474212844702, "L3": null, - "a7": 121.711155387586, - "L1": 1.32829161698472, + "a7": 123.305422169178, + "L1": 1.32972132591067, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.925441363258, + "ss": "T", + "a3": 117.582754514632, "bs": 0.0, "a2": null, - "a5": 119.986206463382, + "a5": 120.582743808373, "sidechain_LEU": null, - "chainIndex": 522, + "chainIndex": 609, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null @@ -144634,549 +132530,549 @@ "pk": 1342, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.393233360413, - "psi": -59.7956526774195, - "oldID": "303", - "bg": 74.64, + "a6": 116.631850654571, + "psi": 122.271065083689, + "oldID": "611", + "bg": 63.35, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.602059499763, + "zeta": 35.0056409925885, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1344, + "next": 1343, "sidechain_SER": null, - "bm": 80.0, + "bm": 56.0, "xpr": false, - "prev": 1340, + "prev": 1341, "terminal_flag": false, - "phi": -56.1238697489554, + "phi": -139.830125741749, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.366053170398, - "chi2": 53.6803090354405, - "chi3": null, - "chi1": 170.659596292045, + "sidechain_GLN": 58, + "ome": -179.959628146954, + "chi2": -76.4081241478797, + "chi3": -46.1730269008465, + "chi1": -62.3665671056246, "chi4": null, "chi5": null, - "a1": 121.107564694158, - "L4": 1.52702797804899, - "L5": 1.22918294116523, - "L2": 1.45616481392133, - "L3": 1.53394366271062, - "a7": 122.780950104884, - "L1": 1.32837207018431, + "a1": 122.310421193923, + "L4": 1.52372563939166, + "L5": 1.2275114657905, + "L2": 1.45626409982156, + "L3": 1.52875522774355, + "a7": 122.559921601335, + "L1": 1.32978221362557, "sidechain_ARG": null, - "sidechain_TYR": 45, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.990536043535, - "bs": 74.0, - "a2": 110.10765686682, - "a5": 120.825030282854, + "ss": "E", + "a3": 109.319699414575, + "bs": 65.0, + "a2": 110.363773739405, + "a5": 120.801242001077, "sidechain_LEU": null, - "chainIndex": 302, + "chainIndex": 610, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.934743399751 + "a4": 109.522974532782 } }, { "pk": 1343, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.267979786599, - "psi": 151.124071634532, - "oldID": "524", - "bg": 0.0, + "a6": 116.163455049956, + "psi": 128.019146330922, + "oldID": "612", + "bg": 56.12, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5823817584542, + "sidechain_ILE": 79, + "protein": "1TWF", + "zeta": 33.8323336369404, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1345, + "next": 1344, "sidechain_SER": null, - "bm": 16.0, + "bm": 54.0, "xpr": false, - "prev": 1341, + "prev": 1342, "terminal_flag": false, - "phi": -61.9042182858685, + "phi": -70.1427019336814, "chainID": "A", "sidechain_GLN": null, - "ome": 172.386752890914, - "chi2": null, + "ome": -179.839707892934, + "chi2": 170.203805907532, "chi3": null, - "chi1": null, + "chi1": 161.067616132597, "chi4": null, "chi5": null, - "a1": 120.404351594193, - "L4": 1.52986840141271, - "L5": 1.22854966255479, - "L2": 1.45934800190809, - "L3": 1.51712032764922, - "a7": 122.895140298126, - "L1": 1.32855227350553, + "a1": 120.262475539871, + "L4": 1.52535164175246, + "L5": 1.22366270917408, + "L2": 1.44964933923514, + "L3": 1.54578613699476, + "a7": 122.75283034357, + "L1": 1.32705167912685, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 112.62544859448, - "bs": 19.0, - "a2": 109.806080324347, - "a5": 120.826131981862, + "ss": "E", + "a3": 109.871056473223, + "bs": 57.0, + "a2": 110.751214840333, + "a5": 121.068538988832, "sidechain_LEU": null, - "chainIndex": 523, + "chainIndex": 611, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.135757666186 + "a4": 110.927507829831 } }, { "pk": 1344, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.933324125117, - "psi": -31.6829935626441, - "oldID": "304", - "bg": 92.27, + "a6": 116.314365943746, + "psi": -47.9448147532826, + "oldID": "613", + "bg": 46.42, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 80, "protein": "1TWF", - "zeta": 34.7828590331526, + "zeta": 34.9706984501277, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 33, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1346, + "next": 1345, "sidechain_SER": null, - "bm": 92.0, + "bm": 48.0, "xpr": false, - "prev": 1342, + "prev": 1343, "terminal_flag": false, - "phi": -71.575671796711, + "phi": -93.1746434344871, "chainID": "A", "sidechain_GLN": null, - "ome": -178.071455944184, - "chi2": -179.747261160732, - "chi3": -74.3440712776102, - "chi1": -59.3162636471241, + "ome": 179.331247530484, + "chi2": -54.4008575969466, + "chi3": null, + "chi1": -58.898730529063, "chi4": null, "chi5": null, - "a1": 121.422065277435, - "L4": 1.52141282304523, - "L5": 1.2282061461501, - "L2": 1.45311033662261, - "L3": 1.52967895855636, - "a7": 122.425038685353, - "L1": 1.32761225547215, + "a1": 121.946244018254, + "L4": 1.50608428093644, + "L5": 1.23079161062571, + "L2": 1.45426042515904, + "L3": 1.52968728649709, + "a7": 122.982978765415, + "L1": 1.32652081135464, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.153926297719, - "bs": 92.0, - "a2": 110.22918617447, - "a5": 120.633667308068, + "ss": "E", + "a3": 110.995802448369, + "bs": 45.0, + "a2": 110.870636821304, + "a5": 120.697149740698, "sidechain_LEU": null, - "chainIndex": 303, + "chainIndex": 612, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.203410238066 + "a4": 108.714929941606 } }, { "pk": 1345, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "f", "sidechain_PRO": null, - "sidechain_ASN": 54, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.623449192525, - "psi": 66.6260179168455, - "oldID": "525", - "bg": 16.75, + "a6": 114.914661560495, + "psi": 149.464302641653, + "oldID": "614", + "bg": 50.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1950793748977, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 33.7055161350744, + "sidechain_PHE": 52, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1347, + "next": 1346, "sidechain_SER": null, - "bm": 14.0, + "bm": 47.0, "xpr": false, - "prev": 1343, + "prev": 1344, "terminal_flag": false, - "phi": 57.7706585274606, + "phi": -157.436250390512, "chainID": "A", "sidechain_GLN": null, - "ome": -172.832715833993, - "chi2": -2.43616151167552, + "ome": 179.544272279101, + "chi2": 79.1574399587449, "chi3": null, - "chi1": -166.427015105333, + "chi1": 76.4333642140835, "chi4": null, "chi5": null, - "a1": 121.197910437468, - "L4": 1.52754371098556, - "L5": 1.22939802525309, - "L2": 1.46428374359175, - "L3": 1.54960179384982, - "a7": 122.528555631844, - "L1": 1.32824921972075, + "a1": 119.447718836233, + "L4": 1.51793673514951, + "L5": 1.23250597534696, + "L2": 1.44707793128116, + "L3": 1.52537919018095, + "a7": 123.619452466983, + "L1": 1.32669623265536, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.82584668135, - "bs": 17.0, - "a2": 108.313118494962, - "a5": 120.785312884888, + "ss": "E", + "a3": 114.314884851294, + "bs": 51.0, + "a2": 109.803752239179, + "a5": 121.464828486578, "sidechain_LEU": null, - "chainIndex": 524, + "chainIndex": 613, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.066916407606 + "a4": 110.380836412651 } }, { "pk": 1346, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 79, - "a6": 116.48789140015, - "psi": 106.774025515392, - "oldID": "305", - "bg": 110.39, + "sidechain_ASP": null, + "a6": 115.301610759918, + "psi": 140.525160010984, + "oldID": "615", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1703457963161, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1348, + "next": 1347, "sidechain_SER": null, - "bm": 108.0, + "bm": 42.0, "xpr": false, - "prev": 1344, + "prev": 1345, "terminal_flag": false, - "phi": -157.215921180364, + "phi": 110.5981139238, "chainID": "A", "sidechain_GLN": null, - "ome": 179.267249540871, - "chi2": 69.8477557830751, + "ome": 178.637009611018, + "chi2": null, "chi3": null, - "chi1": 161.937597502084, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.876954226558, - "L4": 1.52448987008293, - "L5": 1.22694894878022, - "L2": 1.45022814505215, - "L3": 1.52688432866217, - "a7": 122.858627282928, - "L1": 1.32470500763039, + "a1": 121.264791166184, + "L4": 1.5160010584625, + "L5": 1.23436574618506, + "L2": 1.44640503080619, + "L3": null, + "a7": 122.924378613455, + "L1": 1.3282504341389, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.798684433338, - "bs": 110.0, - "a2": 108.450005143335, - "a5": 120.651486863314, + "ss": "S", + "a3": 114.651222638742, + "bs": 0.0, + "a2": null, + "a5": 121.772722916883, "sidechain_LEU": null, - "chainIndex": 304, + "chainIndex": 614, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.931972380152 + "a4": null } }, { "pk": 1347, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.592921576257, - "psi": -33.5144659260721, - "oldID": "526", - "bg": 14.68, + "a6": 117.616147004633, + "psi": 132.049063824918, + "oldID": "616", + "bg": 36.5, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9859119751867, + "protein": "1TWF", + "zeta": 35.970256895998, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 99, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1349, - "sidechain_SER": 68, - "bm": 15.0, + "next": 1348, + "sidechain_SER": null, + "bm": 39.0, "xpr": false, - "prev": 1345, + "prev": 1346, "terminal_flag": false, - "phi": -56.589226262714, + "phi": -74.508461249111, "chainID": "A", "sidechain_GLN": null, - "ome": -179.127016775095, + "ome": 179.996899928374, "chi2": null, "chi3": null, - "chi1": -52.854440885349, + "chi1": 178.465534687507, "chi4": null, "chi5": null, - "a1": 120.178437035983, - "L4": 1.51883634696654, - "L5": 1.2421349191163, - "L2": 1.45791707240411, - "L3": 1.53074588104881, - "a7": 122.911657408149, - "L1": 1.32851018103353, + "a1": 121.619096224728, + "L4": 1.527474447471, + "L5": 1.22744147631023, + "L2": 1.45144126249421, + "L3": 1.52876895637583, + "a7": 122.362129870236, + "L1": 1.32661986290372, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.081583968485, - "bs": 14.0, - "a2": 111.87257049187, - "a5": 119.432737762753, + "ss": "-", + "a3": 107.21525080388, + "bs": 39.0, + "a2": 110.631539558077, + "a5": 120.02151822574, "sidechain_LEU": null, - "chainIndex": 525, + "chainIndex": 615, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.980851542175 + "a4": 108.306502243341 } }, { "pk": 1348, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "v", "sidechain_PRO": null, - "sidechain_ASN": 55, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.84682305613, - "psi": 95.3733292690155, - "oldID": "306", - "bg": 122.81, + "a6": 117.269935165734, + "psi": 122.134859812539, + "oldID": "617", + "bg": 41.09, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2960495883936, + "zeta": 33.9486659561081, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 100, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1350, + "next": 1349, "sidechain_SER": null, - "bm": 121.0, + "bm": 37.0, "xpr": false, - "prev": 1346, + "prev": 1347, "terminal_flag": false, - "phi": -87.7849950900809, + "phi": -82.8693714264427, "chainID": "A", "sidechain_GLN": null, - "ome": 179.551986590013, - "chi2": -53.6765041651304, + "ome": 178.690928556043, + "chi2": null, "chi3": null, - "chi1": -167.038459090184, + "chi1": 169.45763752471, "chi4": null, "chi5": null, - "a1": 121.269490664951, - "L4": 1.52644039353824, - "L5": 1.23182343028046, - "L2": 1.45767924314049, - "L3": 1.53618873604326, - "a7": 123.170566990075, - "L1": 1.32903175810977, + "a1": 120.301834285637, + "L4": 1.53677365266508, + "L5": 1.22801537161882, + "L2": 1.45824984685819, + "L3": 1.54649073480948, + "a7": 122.627224087034, + "L1": 1.33063689704081, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.781055169748, - "bs": 123.0, - "a2": 110.803787488577, - "a5": 120.975067024879, + "a3": 111.78986828081, + "bs": 39.0, + "a2": 111.178220120772, + "a5": 120.097668387205, "sidechain_LEU": null, - "chainIndex": 305, + "chainIndex": 616, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.056962933866 + "a4": 109.592865061233 } }, { "pk": 1349, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "e", "sidechain_PRO": null, - "sidechain_ASN": 56, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.7884757374, - "psi": -42.2224748538535, - "oldID": "527", - "bg": 16.91, + "a6": 117.453985966858, + "psi": -164.350921794556, + "oldID": "618", + "bg": 44.54, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.764227212611, + "protein": "1TWF", + "zeta": 32.3777472106427, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1351, + "next": 1350, "sidechain_SER": null, - "bm": 16.0, + "bm": 37.0, "xpr": false, - "prev": 1347, + "prev": 1348, "terminal_flag": false, - "phi": -60.8348221586624, + "phi": -148.797454731172, "chainID": "A", "sidechain_GLN": null, - "ome": -178.755416813302, - "chi2": -33.2637967141188, - "chi3": null, - "chi1": -76.7962292745379, + "ome": -177.152210613724, + "chi2": 57.708067772085, + "chi3": 75.1308619235938, + "chi1": 40.9682003148912, "chi4": null, "chi5": null, - "a1": 119.185677182057, - "L4": 1.5243574972691, - "L5": 1.23652342858821, - "L2": 1.45671909353089, - "L3": 1.52944083172819, - "a7": 122.761896904894, - "L1": 1.32877286463063, + "a1": 121.875547673175, + "L4": 1.54458998726997, + "L5": 1.22292461872114, + "L2": 1.46670110677343, + "L3": 1.53779137689674, + "a7": 121.920300857507, + "L1": 1.33504724535868, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 100, "omep": null, - "ss": "H", - "a3": 110.157802947863, - "bs": 16.0, - "a2": 112.247450380657, - "a5": 121.432142187857, + "ss": "-", + "a3": 114.260229356594, + "bs": 43.0, + "a2": 110.901801094764, + "a5": 120.615885708787, "sidechain_LEU": null, - "chainIndex": 526, + "chainIndex": 617, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.615978981456 + "a4": 110.909020600865 } }, { "pk": 1350, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 80, - "a6": 116.269610805888, - "psi": 55.1880626657205, - "oldID": "307", - "bg": 132.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9214587794631, + "sidechain_ASP": null, + "a6": 117.510468120998, + "psi": -44.7990288377247, + "oldID": "619", + "bg": 35.65, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 33.2795853803801, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 78, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1352, + "next": 1351, "sidechain_SER": null, - "bm": 131.0, + "bm": 38.0, "xpr": false, - "prev": 1348, + "prev": 1349, "terminal_flag": false, - "phi": -177.466170456074, + "phi": -46.2638481578135, "chainID": "A", "sidechain_GLN": null, - "ome": 179.998258833149, - "chi2": -49.8005195035846, - "chi3": null, - "chi1": -158.493699019071, - "chi4": null, + "ome": 178.166288743655, + "chi2": 161.452932895873, + "chi3": -178.610754577482, + "chi1": -175.014619411945, + "chi4": 179.371123636465, "chi5": null, - "a1": 122.154683297752, - "L4": 1.52609724147498, - "L5": 1.23232780700343, - "L2": 1.45963650348177, - "L3": 1.53437239373334, - "a7": 122.868024455796, - "L1": 1.32921546035096, + "a1": 121.007864252325, + "L4": 1.52968856189021, + "L5": 1.22975641973759, + "L2": 1.45481942434978, + "L3": 1.51941424503472, + "a7": 121.653062024501, + "L1": 1.32542971898873, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.651110626047, - "bs": 132.0, - "a2": 110.515604539871, - "a5": 120.860160501585, + "ss": "H", + "a3": 114.600186108557, + "bs": 35.0, + "a2": 109.017347026792, + "a5": 120.835943785239, "sidechain_LEU": null, - "chainIndex": 306, + "chainIndex": 618, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.711812466388 + "a4": 111.458654254657 } }, { @@ -145186,931 +133082,931 @@ "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.623919976584, - "psi": -34.2183004210838, - "oldID": "528", - "bg": 25.09, + "a6": 118.105482694178, + "psi": -40.6535603193229, + "oldID": "620", + "bg": 52.57, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.58856020792, + "protein": "1TWF", + "zeta": 34.4166380196084, "sidechain_PHE": null, - "sidechain_LYS": 88, + "sidechain_LYS": 79, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1353, + "next": 1352, "sidechain_SER": null, - "bm": 17.0, + "bm": 42.0, "xpr": false, - "prev": 1349, + "prev": 1350, "terminal_flag": false, - "phi": -78.6280012645365, + "phi": -53.629007445297, "chainID": "A", "sidechain_GLN": null, - "ome": 177.466827266422, - "chi2": 174.719549079195, - "chi3": -173.436334079877, - "chi1": -162.718906229781, - "chi4": -165.984865945959, + "ome": -178.892424392849, + "chi2": 174.866105334433, + "chi3": 167.375293323478, + "chi1": -92.4804055590667, + "chi4": -165.560757239203, "chi5": null, - "a1": 120.127856694431, - "L4": 1.53581250212552, - "L5": 1.23179864497627, - "L2": 1.45710127878229, - "L3": 1.51892018069577, - "a7": 122.925096526992, - "L1": 1.3207847710455, + "a1": 119.258403042881, + "L4": 1.54218679367121, + "L5": 1.2254001720349, + "L2": 1.45308247174402, + "L3": 1.53183980076528, + "a7": 121.074822164647, + "L1": 1.32257632709869, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.403928788349, - "bs": 26.0, - "a2": 110.205082284965, - "a5": 120.433537123212, + "a3": 110.563683723691, + "bs": 55.0, + "a2": 110.672668245713, + "a5": 120.805146210745, "sidechain_LEU": null, - "chainIndex": 527, + "chainIndex": 619, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.93944353509 + "a4": 109.665034326164 } }, { "pk": 1352, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.717799700132, - "psi": -133.011663536404, - "oldID": "308", - "bg": 137.28, + "a6": 117.157734856684, + "psi": -40.8338448401354, + "oldID": "621", + "bg": 43.06, "sidechain_CYS": null, - "sidechain_ILE": 73, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3933656169512, + "zeta": 34.1242624074334, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 66, "sidechain_TRP": null, - "next": 1354, + "next": 1353, "sidechain_SER": null, - "bm": 138.0, + "bm": 37.0, "xpr": false, - "prev": 1350, + "prev": 1351, "terminal_flag": false, - "phi": -127.221069443918, + "phi": -93.4147579596525, "chainID": "A", "sidechain_GLN": null, - "ome": -179.275412967567, - "chi2": 91.7515320345069, + "ome": -176.944243167021, + "chi2": null, "chi3": null, - "chi1": -35.6695212032337, + "chi1": -47.3665808399197, "chi4": null, "chi5": null, - "a1": 121.292921141293, - "L4": 1.52792359863345, - "L5": 1.23035364307992, - "L2": 1.4592197016999, - "L3": 1.5503350597409, - "a7": 122.617030970918, - "L1": 1.32989203617715, + "a1": 118.808704522913, + "L4": 1.52910885005245, + "L5": 1.22751284383434, + "L2": 1.45235317759282, + "L3": 1.5392007455213, + "a7": 121.884258242746, + "L1": 1.32356487202778, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.958194472635, - "bs": 137.0, - "a2": 111.802173379031, - "a5": 120.663385758683, + "ss": "H", + "a3": 116.917740296979, + "bs": 39.0, + "a2": 110.818626353682, + "a5": 120.940671110297, "sidechain_LEU": null, - "chainIndex": 307, + "chainIndex": 620, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.364295158432 + "a4": 107.927235984643 } }, { "pk": 1353, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.736687185177, - "psi": -41.7849746433488, - "oldID": "529", - "bg": 15.58, + "a6": 116.050219647555, + "psi": -9.03476986888353, + "oldID": "622", + "bg": 33.68, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4618068431707, + "protein": "1TWF", + "zeta": 33.7328770653807, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 101, "sidechain_MET": null, - "sidechain_THR": 69, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1355, + "next": 1354, "sidechain_SER": null, - "bm": 15.0, + "bm": 31.0, "xpr": false, - "prev": 1351, + "prev": 1352, "terminal_flag": false, - "phi": -63.8594009513508, + "phi": -102.175509656594, "chainID": "A", "sidechain_GLN": null, - "ome": 179.037675308145, + "ome": 179.161753856163, "chi2": null, "chi3": null, - "chi1": -67.7954461647213, + "chi1": 117.794808821143, "chi4": null, "chi5": null, - "a1": 121.78279761557, - "L4": 1.52482891493603, - "L5": 1.23789952044544, - "L2": 1.45417548235993, - "L3": 1.55485070122277, - "a7": 122.579484495219, - "L1": 1.33639662052483, + "a1": 119.674620511689, + "L4": 1.5349261087139, + "L5": 1.23744437636614, + "L2": 1.43767504456005, + "L3": 1.53603487887105, + "a7": 123.016717805127, + "L1": 1.31645442972928, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 109.078865402119, - "bs": 15.0, - "a2": 109.809369106377, - "a5": 121.681942477527, + "a3": 114.344971434684, + "bs": 33.0, + "a2": 107.694838112778, + "a5": 120.905712161958, "sidechain_LEU": null, - "chainIndex": 528, + "chainIndex": 621, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.287441177016 + "a4": 112.524321162477 } }, { "pk": 1354, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.043514465899, - "psi": 55.9106944098953, - "oldID": "309", + "a6": 116.385705679017, + "psi": -175.964416372702, + "oldID": "623", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2323973414741, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1356, + "next": 1355, "sidechain_SER": null, - "bm": 144.0, + "bm": 29.0, "xpr": false, - "prev": 1352, + "prev": 1353, "terminal_flag": false, - "phi": -89.5633983497001, + "phi": -72.2697528642863, "chainID": "A", "sidechain_GLN": null, - "ome": 179.610196501975, + "ome": 179.839351890051, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.265873618118, - "L4": 1.52434522468438, - "L5": 1.22785356368243, - "L2": 1.45773748735233, - "L3": 1.52710049658464, - "a7": 122.620016039227, - "L1": 1.33010255658603, + "a1": 121.077891809357, + "L4": 1.51728787484948, + "L5": 1.23857771067212, + "L2": 1.44928326666075, + "L3": null, + "a7": 121.564505133902, + "L1": 1.33093198708267, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "S", - "a3": 113.527524097213, - "bs": 144.0, - "a2": 109.537334097041, - "a5": 120.336462943433, + "a3": 111.568397986157, + "bs": 0.0, + "a2": null, + "a5": 122.047994638157, "sidechain_LEU": null, - "chainIndex": 308, + "chainIndex": 622, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.145199190923 + "a4": null } }, { "pk": 1355, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.75503215526, - "psi": -42.1191327521046, - "oldID": "530", - "bg": 12.27, + "a6": 117.655625330899, + "psi": 16.5410398312362, + "oldID": "624", + "bg": 38.74, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5733618427, + "protein": "1TWF", + "zeta": 34.431612835495, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1357, - "sidechain_SER": null, - "bm": 14.0, + "next": 1356, + "sidechain_SER": 65, + "bm": 37.0, "xpr": false, - "prev": 1353, + "prev": 1354, "terminal_flag": false, - "phi": -64.862079043163, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.338010221681, - "chi2": 157.128128421756, - "chi3": -173.258730983396, - "chi1": -71.7769394530087, - "chi4": -162.556718996344, - "chi5": -2.69515606027019, - "a1": 120.651006575616, - "L4": 1.52858472214578, - "L5": 1.2139454326914, - "L2": 1.43571735669656, - "L3": 1.52583836251993, - "a7": 122.739534102749, - "L1": 1.33272910660292, - "sidechain_ARG": 62, + "phi": -75.1424667875821, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.216888581892, + "chi2": null, + "chi3": null, + "chi1": 84.3129947629871, + "chi4": null, + "chi5": null, + "a1": 118.377125078546, + "L4": 1.53397894033995, + "L5": 1.21747898122642, + "L2": 1.45537903185758, + "L3": 1.53040141017757, + "a7": 122.237166755404, + "L1": 1.3213668492718, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.773862214049, - "bs": 11.0, - "a2": 110.775221394255, - "a5": 119.467641584669, + "ss": "S", + "a3": 110.483740757982, + "bs": 38.0, + "a2": 110.813972901664, + "a5": 120.106501073231, "sidechain_LEU": null, - "chainIndex": 529, + "chainIndex": 623, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.222436647762 + "a4": 109.538155164163 } }, { "pk": 1356, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.304107067425, - "psi": -178.479021418233, - "oldID": "310", - "bg": 0.0, + "a6": 115.569546724279, + "psi": 153.621280489002, + "oldID": "625", + "bg": 50.29, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.5164638809227, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1358, - "sidechain_SER": null, - "bm": 149.0, + "next": 1357, + "sidechain_SER": 66, + "bm": 46.0, "xpr": false, - "prev": 1354, + "prev": 1355, "terminal_flag": false, - "phi": 156.676479679221, + "phi": -47.3049275397039, "chainID": "A", "sidechain_GLN": null, - "ome": 179.68309831258, + "ome": -179.670100495329, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 45.7663864750789, "chi4": null, "chi5": null, - "a1": 119.684171684863, - "L4": 1.51880957551535, - "L5": 1.23264637409271, - "L2": 1.45226240675991, - "L3": null, - "a7": 123.156491446623, - "L1": 1.33054615168838, + "a1": 121.746505304579, + "L4": 1.52785794941179, + "L5": 1.2322722630602, + "L2": 1.46632460585593, + "L3": 1.5167555379678, + "a7": 123.539482019456, + "L1": 1.32944177389554, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 116.705361915068, - "bs": 0.0, - "a2": null, - "a5": 121.539394354592, + "a3": 116.007311647363, + "bs": 49.0, + "a2": 109.079009304759, + "a5": 120.866693667615, "sidechain_LEU": null, - "chainIndex": 309, + "chainIndex": 624, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.225734483972 } }, { "pk": 1357, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 50, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.432507229437, - "psi": -36.0044349859238, - "oldID": "531", - "bg": 23.81, + "a6": 118.356648462704, + "psi": -76.9287973030507, + "oldID": "626", + "bg": 59.95, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2439473981979, + "protein": "1TWF", + "zeta": 33.166855000775, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1359, + "next": 1358, "sidechain_SER": null, - "bm": 14.0, + "bm": 52.0, "xpr": false, - "prev": 1355, + "prev": 1356, "terminal_flag": false, - "phi": -63.1610586507881, + "phi": -51.4764800067363, "chainID": "A", "sidechain_GLN": null, - "ome": 179.043801438137, - "chi2": 64.3088807683054, - "chi3": 0.940642924618753, - "chi1": -174.597884559617, + "ome": -179.729138375526, + "chi2": -74.2469901354647, + "chi3": null, + "chi1": -137.355519734666, "chi4": null, "chi5": null, - "a1": 121.085300594134, - "L4": 1.55202300566951, - "L5": 1.22835091118194, - "L2": 1.46736459707545, - "L3": 1.53071335949487, - "a7": 122.447623819029, - "L1": 1.32866600887168, + "a1": 122.68227219329, + "L4": 1.53451612163861, + "L5": 1.23033260749978, + "L2": 1.45468828898426, + "L3": 1.53894853524067, + "a7": 121.587804784169, + "L1": 1.3318855995568, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 106, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.415832908811, - "bs": 25.0, - "a2": 110.778270769584, - "a5": 120.085609071398, + "ss": "T", + "a3": 114.212341621197, + "bs": 60.0, + "a2": 110.009572957494, + "a5": 120.05399004109, "sidechain_LEU": null, - "chainIndex": 530, + "chainIndex": 625, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.182894322014 + "a4": 110.928104073813 } }, { "pk": 1358, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.397397349302, - "psi": 69.5213564110962, - "oldID": "311", - "bg": 153.67, + "a6": 117.768845361542, + "psi": 43.9087180864248, + "oldID": "627", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3217462401972, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1360, + "next": 1359, "sidechain_SER": null, - "bm": 153.0, + "bm": 45.0, "xpr": false, - "prev": 1356, + "prev": 1357, "terminal_flag": false, - "phi": -139.963596812754, + "phi": -94.7709966681557, "chainID": "A", - "sidechain_GLN": 50, - "ome": 179.996367066325, - "chi2": 172.227795861398, - "chi3": 57.9844390441536, - "chi1": -58.5467961086503, + "sidechain_GLN": null, + "ome": -179.242381267319, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.759904474633, - "L4": 1.52468025104342, - "L5": 1.23257084366188, - "L2": 1.45998459644508, - "L3": 1.53186488548552, - "a7": 121.830406756243, - "L1": 1.33038440230591, + "a1": 117.848065760767, + "L4": 1.51568233954376, + "L5": 1.22738892733828, + "L2": 1.44874812895921, + "L3": null, + "a7": 122.157522535761, + "L1": 1.32495312902452, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.6774373581, - "bs": 153.0, - "a2": 110.639078635311, - "a5": 120.771314719451, + "ss": "T", + "a3": 114.179979116799, + "bs": 0.0, + "a2": null, + "a5": 120.073590086904, "sidechain_LEU": null, - "chainIndex": 310, + "chainIndex": 626, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.946485599746 + "a4": null } }, { "pk": 1359, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.485205189566, - "psi": -36.7240445398761, - "oldID": "532", + "a6": 115.995373097587, + "psi": -172.701287449712, + "oldID": "628", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1401851956078, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1361, + "next": 1360, "sidechain_SER": null, - "bm": 14.0, + "bm": 36.0, "xpr": false, - "prev": 1357, + "prev": 1358, "terminal_flag": false, - "phi": -58.1987691984772, + "phi": -88.6671911467052, "chainID": "A", "sidechain_GLN": null, - "ome": -179.043155821965, + "ome": -179.684288786449, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.347864261313, - "L4": 1.53416952766899, - "L5": 1.23632084057208, - "L2": 1.47434590676122, - "L3": 1.53548238977659, - "a7": 122.561895391164, - "L1": 1.33567191384304, + "a1": 119.734267146512, + "L4": 1.51652056563195, + "L5": 1.22877718301382, + "L2": 1.45344133771372, + "L3": null, + "a7": 123.061444974831, + "L1": 1.33006330205295, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.589923127519, - "bs": 15.0, - "a2": 110.43323830801, - "a5": 121.950118463256, + "ss": "S", + "a3": 114.623925577818, + "bs": 0.0, + "a2": null, + "a5": 120.939262758713, "sidechain_LEU": null, - "chainIndex": 531, + "chainIndex": 627, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.936407464006 + "a4": null } }, { "pk": 1360, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 69, + "aa": "l", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.615332390904, - "psi": 108.692718042355, - "oldID": "312", - "bg": 156.18, + "a6": 116.731142800536, + "psi": -47.2585636882688, + "oldID": "629", + "bg": 30.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.4879012992308, + "zeta": 34.6095747449053, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1362, + "next": 1361, "sidechain_SER": null, - "bm": 156.0, + "bm": 31.0, "xpr": false, - "prev": 1358, + "prev": 1359, "terminal_flag": false, - "phi": -60.2732420992813, + "phi": -52.4357350613517, "chainID": "A", "sidechain_GLN": null, - "ome": 179.933264309351, - "chi2": -43.7471953450635, - "chi3": 38.3472949733694, - "chi1": 31.5458077909068, - "chi4": -18.9476116799654, + "ome": -178.799444728099, + "chi2": 63.5371597898539, + "chi3": null, + "chi1": -179.770102273175, + "chi4": null, "chi5": null, - "a1": 119.996536682, - "L4": 1.52894789636537, - "L5": 1.23339402775715, - "L2": 1.46467760455756, - "L3": 1.52614856589781, - "a7": 122.964491558699, - "L1": 1.33983046401754, + "a1": 122.26237044179, + "L4": 1.52406902399737, + "L5": 1.22223701488713, + "L2": 1.45801903811632, + "L3": 1.52664495972064, + "a7": 122.9225685239, + "L1": 1.33150589076231, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 7.53040656231801, - "ss": "-", - "a3": 111.877084149544, - "bs": 156.0, - "a2": 102.878546747627, - "a5": 120.418006221731, - "sidechain_LEU": null, - "chainIndex": 311, + "omep": null, + "ss": "H", + "a3": 113.202899733435, + "bs": 30.0, + "a2": 109.817397476268, + "a5": 120.344518083987, + "sidechain_LEU": 117, + "chainIndex": 628, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.552513867097 + "a4": 109.452538246756 } }, { "pk": 1361, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.154843050871, - "psi": -30.5387312761443, - "oldID": "533", - "bg": 13.72, + "a6": 117.157795076865, + "psi": -41.0746718428548, + "oldID": "630", + "bg": 32.95, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.410553750759, + "sidechain_ILE": 81, + "protein": "1TWF", + "zeta": 33.2919695591091, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1363, + "next": 1362, "sidechain_SER": null, - "bm": 14.0, + "bm": 33.0, "xpr": false, - "prev": 1359, + "prev": 1360, "terminal_flag": false, - "phi": -63.5970522713832, + "phi": -62.406431150161, "chainID": "A", "sidechain_GLN": null, - "ome": 178.069136933507, - "chi2": 171.951583681109, + "ome": 178.856123754627, + "chi2": 162.35275980192, "chi3": null, - "chi1": -67.17819064386, + "chi1": -76.9495424664531, "chi4": null, "chi5": null, - "a1": 121.887490001023, - "L4": 1.53705954568085, - "L5": 1.23199278371663, - "L2": 1.4535657067875, - "L3": 1.55029163567629, - "a7": 121.626468393635, - "L1": 1.3285735041775, + "a1": 121.794883077147, + "L4": 1.52515624758361, + "L5": 1.23248791131023, + "L2": 1.46053649012126, + "L3": 1.53493936780556, + "a7": 122.63944116638, + "L1": 1.33003075137371, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.973028713378, - "bs": 13.0, - "a2": 110.462695699371, - "a5": 121.215735859023, - "sidechain_LEU": 111, - "chainIndex": 532, + "a3": 114.709510413914, + "bs": 33.0, + "a2": 110.333339583382, + "a5": 120.20082447386, + "sidechain_LEU": null, + "chainIndex": 629, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.797199545833 + "a4": 110.227468341827 } }, { "pk": 1362, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.005692302059, - "psi": 96.0178647357733, - "oldID": "313", - "bg": 158.62, + "a6": 115.649177288241, + "psi": -49.3419312405502, + "oldID": "631", + "bg": 39.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4279290750772, + "zeta": 34.8998550200378, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1364, + "next": 1363, "sidechain_SER": null, - "bm": 158.0, + "bm": 38.0, "xpr": false, - "prev": 1360, + "prev": 1361, "terminal_flag": false, - "phi": -130.111720488653, + "phi": -61.1821601997197, "chainID": "A", - "sidechain_GLN": 51, - "ome": -179.961215262783, - "chi2": -173.443758033008, - "chi3": -57.0080806929567, - "chi1": -59.1439907395036, + "sidechain_GLN": null, + "ome": -179.708144888496, + "chi2": null, + "chi3": null, + "chi1": -154.233672925651, "chi4": null, "chi5": null, - "a1": 121.67950559759, - "L4": 1.5316354699586, - "L5": 1.23196124610417, - "L2": 1.46224597549567, - "L3": 1.53590805132161, - "a7": 123.009232411864, - "L1": 1.33173711896772, + "a1": 120.955016618534, + "L4": 1.53875881198647, + "L5": 1.23165372947577, + "L2": 1.46119240838101, + "L3": 1.53809431440858, + "a7": 123.383194012582, + "L1": 1.33055400540759, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.383716075751, - "bs": 158.0, - "a2": 110.472346517316, - "a5": 120.985004910948, + "ss": "H", + "a3": 107.690681922177, + "bs": 40.0, + "a2": 110.123796071698, + "a5": 120.945505810474, "sidechain_LEU": null, - "chainIndex": 312, - "sidechain_HIS": null, + "chainIndex": 630, + "sidechain_HIS": 49, "h_bond_energy": 0.0, - "a4": 109.650357902543 + "a4": 110.357789175828 } }, { "pk": 1363, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.990961237157, - "psi": -15.68267014705, - "oldID": "534", - "bg": 16.78, + "a6": 116.951626637718, + "psi": -58.1195545843378, + "oldID": "632", + "bg": 40.75, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8711344991194, + "protein": "1TWF", + "zeta": 34.21323760628, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 102, "sidechain_MET": null, - "sidechain_THR": 70, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1365, + "next": 1364, "sidechain_SER": null, - "bm": 15.0, + "bm": 39.0, "xpr": false, - "prev": 1361, + "prev": 1362, "terminal_flag": false, - "phi": -67.2420715538542, + "phi": -55.3891936355858, "chainID": "A", "sidechain_GLN": null, - "ome": 179.876746725199, + "ome": -178.698272319851, "chi2": null, "chi3": null, - "chi1": 71.6882484062677, + "chi1": 172.436724210241, "chi4": null, "chi5": null, - "a1": 119.914212299482, - "L4": 1.53575901693208, - "L5": 1.22547453044857, - "L2": 1.4608693773711, - "L3": 1.53857686897433, - "a7": 121.708634186068, - "L1": 1.32168451004569, + "a1": 123.14237880139, + "L4": 1.52349840084103, + "L5": 1.23360480172581, + "L2": 1.44829334048943, + "L3": 1.54091515294472, + "a7": 122.125934333521, + "L1": 1.33223249877297, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.435327267616, - "bs": 16.0, - "a2": 111.820355380078, - "a5": 120.284957590384, + "ss": "H", + "a3": 114.280131889808, + "bs": 38.0, + "a2": 110.373082182858, + "a5": 120.92235772413, "sidechain_LEU": null, - "chainIndex": 533, + "chainIndex": 631, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.38882249467 + "a4": 109.277263234789 } }, { "pk": 1364, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.021092556924, - "psi": 77.0367722263548, - "oldID": "314", - "bg": 0.0, + "a6": 117.202928628346, + "psi": -47.0641997432553, + "oldID": "633", + "bg": 38.5, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.61747826094, + "zeta": 33.4894170725476, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 103, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1366, + "next": 1365, "sidechain_SER": null, - "bm": 160.0, + "bm": 41.0, "xpr": false, - "prev": 1362, + "prev": 1363, "terminal_flag": false, - "phi": -163.754464593053, + "phi": -54.9542010051449, "chainID": "A", "sidechain_GLN": null, - "ome": -179.668880421413, + "ome": 178.718884034839, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -178.396663346106, "chi4": null, "chi5": null, - "a1": 122.710037804071, - "L4": 1.52786335183397, - "L5": 1.23233104756719, - "L2": 1.46039934699137, - "L3": 1.52517772034892, - "a7": 123.03560093889, - "L1": 1.32976695947331, + "a1": 120.157126808055, + "L4": 1.52795462322329, + "L5": 1.231595253798, + "L2": 1.45170206781477, + "L3": 1.54530264358419, + "a7": 122.287848347576, + "L1": 1.32281493010301, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.940746068173, - "bs": 160.0, - "a2": 110.100376052361, - "a5": 120.943153292457, + "ss": "H", + "a3": 110.687567932568, + "bs": 39.0, + "a2": 110.010185532032, + "a5": 120.487315188585, "sidechain_LEU": null, - "chainIndex": 313, + "chainIndex": 632, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.089959175701 + "a4": 111.858095624819 } }, { "pk": 1365, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.355273681914, - "psi": -7.01446551209782, - "oldID": "535", - "bg": 18.96, + "a6": 116.805817079223, + "psi": -51.2788542582783, + "oldID": "634", + "bg": 35.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1640252752947, + "protein": "1TWF", + "zeta": 35.6081640440756, "sidechain_PHE": null, - "sidechain_LYS": 89, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 67, "sidechain_TRP": null, - "next": 1368, + "next": 1366, "sidechain_SER": null, - "bm": 15.0, + "bm": 41.0, "xpr": false, - "prev": 1363, + "prev": 1364, "terminal_flag": false, - "phi": -80.6337622422209, + "phi": -48.8144011341562, "chainID": "A", "sidechain_GLN": null, - "ome": -176.220856390396, - "chi2": -50.7712782082146, - "chi3": -157.744369322648, - "chi1": -46.1678014584048, - "chi4": -177.556638896247, + "ome": -179.341570419128, + "chi2": null, + "chi3": null, + "chi1": -52.5191540090378, + "chi4": null, "chi5": null, - "a1": 119.351541930643, - "L4": 1.52960674397091, - "L5": 1.2237932857189, - "L2": 1.46631021693363, - "L3": 1.52424274904488, - "a7": 122.544778422932, - "L1": 1.32544224283819, + "a1": 120.608010769833, + "L4": 1.5267156396338, + "L5": 1.22518913283319, + "L2": 1.45695476652435, + "L3": 1.51683429579112, + "a7": 122.79010636365, + "L1": 1.32709746709387, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.055289331149, - "bs": 21.0, - "a2": 110.486397007244, - "a5": 121.091507344944, + "ss": "H", + "a3": 111.393662088088, + "bs": 38.0, + "a2": 111.071695975543, + "a5": 120.40335624304, "sidechain_LEU": null, - "chainIndex": 534, + "chainIndex": 633, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.238384971901 + "a4": 107.169039815617 } }, { "pk": 1366, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.854979549766, - "psi": 84.0754453229086, - "oldID": "315", - "bg": 161.32, + "a6": 116.018946967037, + "psi": -43.7302679038523, + "oldID": "635", + "bg": 41.65, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8446247976733, + "zeta": 35.3036356769242, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -146119,1199 +134015,1199 @@ "sidechain_TRP": null, "next": 1367, "sidechain_SER": null, - "bm": 161.0, + "bm": 42.0, "xpr": false, - "prev": 1364, + "prev": 1365, "terminal_flag": false, - "phi": -124.607306804339, + "phi": -74.6194312849477, "chainID": "A", "sidechain_GLN": null, - "ome": -179.962440341926, - "chi2": 174.807420698763, - "chi3": null, - "chi1": -54.5330164388147, - "chi4": null, - "chi5": null, - "a1": 122.003448418089, - "L4": 1.52806230870523, - "L5": 1.2343964610517, - "L2": 1.46084487666152, - "L3": 1.5308732541762, - "a7": 123.239088598554, - "L1": 1.33016739116603, - "sidechain_ARG": null, + "ome": -178.008968085064, + "chi2": -72.9041855206652, + "chi3": 146.46042692731, + "chi1": -68.6678382049427, + "chi4": -127.616213413041, + "chi5": -1.08729354749577, + "a1": 121.74157653767, + "L4": 1.51569119310344, + "L5": 1.22419410638275, + "L2": 1.46655767991992, + "L3": 1.52760204685783, + "a7": 123.113163965084, + "L1": 1.33271249877097, + "sidechain_ARG": 71, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.519050806659, - "bs": 161.0, - "a2": 109.919993065992, - "a5": 120.905928667396, - "sidechain_LEU": 112, - "chainIndex": 314, + "ss": "H", + "a3": 113.844951266739, + "bs": 44.0, + "a2": 110.607036359215, + "a5": 120.866904889163, + "sidechain_LEU": null, + "chainIndex": 634, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.548331910037 + "a4": 107.510200569047 } }, { "pk": 1367, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.360230797264, - "psi": 13.479145774571, - "oldID": "316", - "bg": 161.52, + "a6": 117.011174731765, + "psi": -43.9210855973443, + "oldID": "636", + "bg": 55.75, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5598796236444, + "zeta": 34.7532171098641, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1369, + "next": 1368, "sidechain_SER": null, - "bm": 161.0, + "bm": 45.0, "xpr": false, "prev": 1366, "terminal_flag": false, - "phi": 58.0548157519005, + "phi": -70.450559985512, "chainID": "A", - "sidechain_GLN": 52, - "ome": -179.887080412992, - "chi2": -174.33632465589, - "chi3": 64.6983873938466, - "chi1": -165.626980610984, + "sidechain_GLN": null, + "ome": -178.910070270419, + "chi2": 61.3432149132687, + "chi3": 44.5677797761299, + "chi1": -143.209247372916, "chi4": null, "chi5": null, - "a1": 122.418561861264, - "L4": 1.53160064073752, - "L5": 1.22999752369546, - "L2": 1.4610769591906, - "L3": 1.53622586383833, - "a7": 122.982233304021, - "L1": 1.33092812100223, + "a1": 122.280741484874, + "L4": 1.52493878645417, + "L5": 1.23139682025974, + "L2": 1.45064766972021, + "L3": 1.52330305134446, + "a7": 122.645118182861, + "L1": 1.32475133660458, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 101, "omep": null, - "ss": "S", - "a3": 110.671912327926, - "bs": 161.0, - "a2": 109.92217816312, - "a5": 120.655867942043, + "ss": "H", + "a3": 114.90953327337, + "bs": 56.0, + "a2": 109.067337324089, + "a5": 120.342368318106, "sidechain_LEU": null, - "chainIndex": 315, + "chainIndex": 635, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.24720199118 + "a4": 109.469346009583 } }, { "pk": 1368, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.578936091825, - "psi": 141.299753334407, - "oldID": "536", - "bg": 16.18, + "a6": 118.208878749576, + "psi": -9.44921239421453, + "oldID": "637", + "bg": 47.4, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.6304827725658, + "protein": "1TWF", + "zeta": 34.1418481097459, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 80, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1370, + "next": 1369, "sidechain_SER": null, - "bm": 15.0, + "bm": 43.0, "xpr": false, - "prev": 1365, + "prev": 1367, "terminal_flag": false, - "phi": -81.1411869612968, + "phi": -112.006931376012, "chainID": "A", "sidechain_GLN": null, - "ome": 171.464364948057, - "chi2": 169.178470336779, - "chi3": null, - "chi1": -66.8315012961821, - "chi4": null, + "ome": 179.711003730319, + "chi2": -68.6456308923375, + "chi3": 161.515475300814, + "chi1": -54.9207221830531, + "chi4": 178.29747050418, "chi5": null, - "a1": 121.402745060454, - "L4": 1.52108909168496, - "L5": 1.21894659682977, - "L2": 1.45443877446697, - "L3": 1.51962820577958, - "a7": 122.21883868079, - "L1": 1.32555623991762, + "a1": 120.764495711401, + "L4": 1.52589282434315, + "L5": 1.21862471804792, + "L2": 1.45753208379436, + "L3": 1.53742133367027, + "a7": 121.7603629396, + "L1": 1.3296496089505, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.727851554392, - "bs": 15.0, - "a2": 109.079965753089, - "a5": 120.196442900749, - "sidechain_LEU": 113, - "chainIndex": 535, + "ss": "H", + "a3": 115.644738895236, + "bs": 51.0, + "a2": 110.088329795183, + "a5": 120.030722031752, + "sidechain_LEU": null, + "chainIndex": 636, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.48295958822 + "a4": 109.080339328691 } }, { "pk": 1369, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.158141273698, - "psi": 121.44073580796, - "oldID": "317", - "bg": 159.92, + "a6": 117.673909244367, + "psi": 161.886805764222, + "oldID": "638", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.118886305946, + "zeta": null, "sidechain_PHE": null, - "sidechain_LYS": 90, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1371, + "next": 1370, "sidechain_SER": null, - "bm": 161.0, + "bm": 38.0, "xpr": false, - "prev": 1367, + "prev": 1368, "terminal_flag": false, - "phi": -140.271660128842, + "phi": 100.413095103258, "chainID": "A", "sidechain_GLN": null, - "ome": 178.935785683868, - "chi2": 172.539735676339, - "chi3": -171.665887834441, - "chi1": -51.286873443751, - "chi4": 173.730777886352, + "ome": -179.574066587047, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 122.224802550618, - "L4": 1.52982591271467, - "L5": 1.2359870867756, - "L2": 1.46140101658605, - "L3": 1.53098759586137, - "a7": 123.052889763292, - "L1": 1.3322769531475, + "a1": 118.896808827402, + "L4": 1.51852179420075, + "L5": 1.23052133704322, + "L2": 1.45257697087218, + "L3": null, + "a7": 121.707364874586, + "L1": 1.32451553809218, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 112.400739146362, - "bs": 159.0, - "a2": 110.329354426614, - "a5": 120.788879731308, + "a3": 114.060659534639, + "bs": 0.0, + "a2": null, + "a5": 120.615098658094, "sidechain_LEU": null, - "chainIndex": 316, + "chainIndex": 637, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.471581626422 + "a4": null } }, { "pk": 1370, "model": "pgd_core.residue", "fields": { - "aa": "d", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 85, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 81, - "a6": 116.782901198289, - "psi": -40.5226918607057, - "oldID": "537", - "bg": 17.82, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 118.570317156818, + "psi": -41.9654729862039, + "oldID": "639", + "bg": 43.31, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.8800483129672, + "protein": "1TWF", + "zeta": 34.5979449513575, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1372, + "next": 1371, "sidechain_SER": null, - "bm": 15.0, + "bm": 41.0, "xpr": false, - "prev": 1368, + "prev": 1369, "terminal_flag": false, - "phi": -73.4170548825164, + "phi": -59.3628600193297, "chainID": "A", "sidechain_GLN": null, - "ome": 177.781925028747, - "chi2": -24.0991389964389, - "chi3": null, - "chi1": -71.2668366663769, - "chi4": null, + "ome": 178.583518172654, + "chi2": -35.5074441820734, + "chi3": 32.1703991609681, + "chi1": 24.2696798808927, + "chi4": -16.9730076572706, "chi5": null, - "a1": 119.817433947197, - "L4": 1.52847923672789, - "L5": 1.22358313000316, - "L2": 1.46472864532485, - "L3": 1.52258763888159, - "a7": 121.753961766293, - "L1": 1.3272099889867, + "a1": 122.311001892191, + "L4": 1.53427233891327, + "L5": 1.22813803193973, + "L2": 1.47241437844133, + "L3": 1.53556892356435, + "a7": 121.475671966142, + "L1": 1.34343543495012, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.657811741721, - "bs": 17.0, - "a2": 109.801892189647, - "a5": 121.380243168551, + "omep": -1.65323326488277, + "ss": "H", + "a3": 117.335335883227, + "bs": 41.0, + "a2": 103.527120926354, + "a5": 119.951242817089, "sidechain_LEU": null, - "chainIndex": 536, + "chainIndex": 638, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.221740474503 + "a4": 114.260707040635 } }, { "pk": 1371, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.471480142533, - "psi": -9.06335503917007, - "oldID": "318", - "bg": 159.99, + "a6": 117.759661981869, + "psi": -46.9329496085295, + "oldID": "640", + "bg": 54.41, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3502937807081, + "zeta": 33.9963771929846, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1373, - "sidechain_SER": 69, - "bm": 160.0, + "next": 1372, + "sidechain_SER": null, + "bm": 40.0, "xpr": false, - "prev": 1369, + "prev": 1370, "terminal_flag": false, - "phi": -74.1370563077826, + "phi": -62.2070019805911, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.008139838046, - "chi2": null, - "chi3": null, - "chi1": 56.9477673451249, + "sidechain_GLN": 59, + "ome": 179.084466904637, + "chi2": -145.248866812825, + "chi3": 28.6910160373268, + "chi1": -88.2842749978343, "chi4": null, "chi5": null, - "a1": 121.7085279513, - "L4": 1.53117164132499, - "L5": 1.23378220214884, - "L2": 1.45899570293577, - "L3": 1.53975046081305, - "a7": 123.321651842197, - "L1": 1.33179900722845, + "a1": 119.003407481102, + "L4": 1.53102621340373, + "L5": 1.23742904199656, + "L2": 1.44709133460624, + "L3": 1.50398420342866, + "a7": 122.064687203216, + "L1": 1.32465542312401, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 107.734770766309, - "bs": 160.0, - "a2": 110.643097806167, - "a5": 121.205571484669, + "ss": "H", + "a3": 113.401029924351, + "bs": 58.0, + "a2": 110.077719169331, + "a5": 120.175143987434, "sidechain_LEU": null, - "chainIndex": 317, + "chainIndex": 639, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.745315779014 + "a4": 109.73507224811 } }, { "pk": 1372, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.670496096823, - "psi": 155.248413346794, - "oldID": "538", - "bg": 15.67, + "a6": 116.682694951057, + "psi": -44.6420772544187, + "oldID": "641", + "bg": 23.68, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6938232783515, + "protein": "1TWF", + "zeta": 33.8401250464633, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 104, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 21, - "next": 1374, + "sidechain_TRP": null, + "next": 1373, "sidechain_SER": null, - "bm": 15.0, + "bm": 31.0, "xpr": false, - "prev": 1370, + "prev": 1371, "terminal_flag": false, - "phi": -149.061340062062, + "phi": -60.1981935662745, "chainID": "A", "sidechain_GLN": null, - "ome": 174.786067872515, - "chi2": -97.7326821721107, + "ome": 179.297634171368, + "chi2": null, "chi3": null, - "chi1": 53.625166025783, + "chi1": 165.9658494963, "chi4": null, "chi5": null, - "a1": 119.187670821066, - "L4": 1.50046036994232, - "L5": 1.2289376938237, - "L2": 1.4547997632536, - "L3": 1.53947487354056, - "a7": 124.210095646923, - "L1": 1.32769284959918, + "a1": 119.606820588699, + "L4": 1.53674741470251, + "L5": 1.22430916496289, + "L2": 1.46461426107524, + "L3": 1.56959409862498, + "a7": 122.358907607493, + "L1": 1.33082534092585, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.03460947981, - "bs": 15.0, - "a2": 112.602777266498, - "a5": 121.100458713657, + "ss": "H", + "a3": 109.763328914996, + "bs": 25.0, + "a2": 111.881655721815, + "a5": 120.955055955959, "sidechain_LEU": null, - "chainIndex": 537, + "chainIndex": 640, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.540734986595 + "a4": 109.916860730905 } }, { "pk": 1373, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "c", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.04056353011, - "psi": -17.4491121524748, - "oldID": "319", - "bg": 0.0, - "sidechain_CYS": null, + "a6": 115.268692948023, + "psi": -43.3680215504428, + "oldID": "642", + "bg": 29.8, + "sidechain_CYS": 33, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.203155985081, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1375, + "next": 1374, "sidechain_SER": null, - "bm": 159.0, + "bm": 28.0, "xpr": false, - "prev": 1371, + "prev": 1372, "terminal_flag": false, - "phi": -71.4409971862781, + "phi": -57.1651118481656, "chainID": "A", "sidechain_GLN": null, - "ome": 178.149460471101, + "ome": -179.941646133894, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -160.362234493214, "chi4": null, "chi5": null, - "a1": 121.607845406129, - "L4": 1.51476444753961, - "L5": 1.23297626184915, - "L2": 1.45242280692371, - "L3": null, - "a7": 123.626689142383, - "L1": 1.33320951272853, + "a1": 121.825440670044, + "L4": 1.52721923549492, + "L5": 1.23859432747034, + "L2": 1.45927376535466, + "L3": 1.51502372501484, + "a7": 123.481003778833, + "L1": 1.32531961422142, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 109.604246492044, - "bs": 0.0, - "a2": null, - "a5": 121.32773866846, + "ss": "H", + "a3": 112.244769972649, + "bs": 27.0, + "a2": 110.130458133552, + "a5": 121.250232382763, "sidechain_LEU": null, - "chainIndex": 318, + "chainIndex": 641, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.439176842631 } }, { "pk": 1374, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.728631677773, - "psi": 136.798101131452, - "oldID": "539", - "bg": 18.17, + "a6": 115.11547840965, + "psi": -45.2715626629467, + "oldID": "643", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7638567282682, + "protein": "1TWF", + "zeta": 34.6466720513062, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 34, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1376, + "next": 1375, "sidechain_SER": null, - "bm": 14.0, + "bm": 30.0, "xpr": false, - "prev": 1372, + "prev": 1373, "terminal_flag": false, - "phi": -138.567648637101, + "phi": -58.8470121714872, "chainID": "A", "sidechain_GLN": null, - "ome": 172.882707875739, - "chi2": 174.588672523649, - "chi3": 75.6748439968211, - "chi1": 174.057015722516, + "ome": 179.824667983809, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.24860926214, - "L4": 1.51272924227636, - "L5": 1.22665310072238, - "L2": 1.43837406814212, - "L3": 1.52927379777084, - "a7": 123.912731335348, - "L1": 1.33224881407101, + "a1": 122.280333452075, + "L4": 1.5355754744518, + "L5": 1.23543222264402, + "L2": 1.46284911381458, + "L3": 1.52757791955558, + "a7": 123.880795079102, + "L1": 1.32807121408994, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.62160266465, - "bs": 18.0, - "a2": 111.523421221694, - "a5": 120.358613635477, + "ss": "H", + "a3": 110.613389446998, + "bs": 28.0, + "a2": 109.385849112403, + "a5": 121.001344750754, "sidechain_LEU": null, - "chainIndex": 538, + "chainIndex": 642, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.317183236967 + "a4": 110.540702444873 } }, { "pk": 1375, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.227675638643, - "psi": 71.8314677689196, - "oldID": "320", - "bg": 155.61, + "a6": 115.955925536799, + "psi": -29.3699262129879, + "oldID": "644", + "bg": 41.66, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.6315697283504, + "zeta": 35.1091976032872, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 81, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1377, + "next": 1376, "sidechain_SER": null, - "bm": 155.0, + "bm": 30.0, "xpr": false, - "prev": 1373, + "prev": 1374, "terminal_flag": false, - "phi": 66.5248702698122, + "phi": -64.4468660189173, "chainID": "A", "sidechain_GLN": null, - "ome": 179.31481248157, - "chi2": -175.103040377548, - "chi3": 179.958362080362, - "chi1": -62.0704307549675, - "chi4": -178.619042036761, - "chi5": -0.0224975312346431, - "a1": 123.195743146744, - "L4": 1.53305138829337, - "L5": 1.23462327701334, - "L2": 1.45756285392771, - "L3": 1.53330276790083, - "a7": 121.916754512511, - "L1": 1.32957037515144, - "sidechain_ARG": 63, + "ome": -179.880065996569, + "chi2": 60.2733664103008, + "chi3": -174.415658467593, + "chi1": -167.358990850655, + "chi4": 176.18367664843, + "chi5": null, + "a1": 124.338103792459, + "L4": 1.53797886161631, + "L5": 1.22432687494051, + "L2": 1.45584688878171, + "L3": 1.53891715791411, + "a7": 122.444169922911, + "L1": 1.33080566085975, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 117.780717983735, - "bs": 155.0, - "a2": 109.238153253246, - "a5": 120.846305857533, + "ss": "H", + "a3": 109.64814815008, + "bs": 44.0, + "a2": 108.490299650167, + "a5": 121.590209218147, "sidechain_LEU": null, - "chainIndex": 319, + "chainIndex": 643, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.707584847687 + "a4": 111.212744701329 } }, { "pk": 1376, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.759719662259, - "psi": 119.960410969425, - "oldID": "540", - "bg": 14.62, + "a6": 117.527571851333, + "psi": -31.8137745142923, + "oldID": "645", + "bg": 32.51, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2582031281843, + "protein": "1TWF", + "zeta": 34.8215424139805, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 91, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1378, + "next": 1377, "sidechain_SER": null, - "bm": 14.0, + "bm": 30.0, "xpr": false, - "prev": 1374, + "prev": 1375, "terminal_flag": false, - "phi": -108.973414248993, + "phi": -67.1533672494284, "chainID": "A", "sidechain_GLN": null, - "ome": -178.27924112393, - "chi2": null, + "ome": -179.989540987941, + "chi2": 69.2167584630766, "chi3": null, - "chi1": 170.376282369996, + "chi1": 173.923136953735, "chi4": null, "chi5": null, - "a1": 122.737392153951, - "L4": 1.52124378644083, - "L5": 1.20962015636515, - "L2": 1.45262519194515, - "L3": 1.52403755382276, - "a7": 123.169786762872, - "L1": 1.32114257158693, + "a1": 122.240241582516, + "L4": 1.52461863486747, + "L5": 1.22532876957468, + "L2": 1.4534545949981, + "L3": 1.53069115175013, + "a7": 121.754983235759, + "L1": 1.32476248903645, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.183805165584, - "bs": 14.0, - "a2": 110.957814886121, - "a5": 120.046670088216, - "sidechain_LEU": null, - "chainIndex": 539, + "ss": "H", + "a3": 110.931625862198, + "bs": 32.0, + "a2": 109.674321716362, + "a5": 120.709037047928, + "sidechain_LEU": 118, + "chainIndex": 644, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.549141003484 + "a4": 110.069196324687 } }, { "pk": 1377, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 70, + "aa": "f", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.94460546194, - "psi": 165.656832038643, - "oldID": "321", - "bg": 153.46, + "a6": 115.309838179559, + "psi": -47.0308962144107, + "oldID": "646", + "bg": 24.65, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 38.4045763178444, - "sidechain_PHE": null, + "zeta": 34.2560340849132, + "sidechain_PHE": 53, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1379, + "next": 1378, "sidechain_SER": null, - "bm": 152.0, + "bm": 26.0, "xpr": false, - "prev": 1375, + "prev": 1376, "terminal_flag": false, - "phi": -100.539669870997, + "phi": -64.5104989113689, "chainID": "A", "sidechain_GLN": null, - "ome": 179.347947704792, - "chi2": 37.8507772756461, - "chi3": -44.1368607737513, - "chi1": -16.2270519924103, - "chi4": 35.5174575381571, + "ome": 178.869704456363, + "chi2": 89.2190645755809, + "chi3": null, + "chi1": -84.3147869627756, + "chi4": null, "chi5": null, - "a1": 123.051215145373, - "L4": 1.5332091699336, - "L5": 1.2312021938348, - "L2": 1.47046932832368, - "L3": 1.53262855073879, - "a7": 122.201217837904, - "L1": 1.34539239430343, + "a1": 118.836360824136, + "L4": 1.52374717972264, + "L5": 1.23320187854202, + "L2": 1.45143976665844, + "L3": 1.52573312046276, + "a7": 123.81158690623, + "L1": 1.32442838534332, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -30.8720260438348, - "ss": "-", - "a3": 108.985643173232, - "bs": 153.0, - "a2": 103.394682500648, - "a5": 119.853420835715, + "omep": null, + "ss": "H", + "a3": 108.862381169211, + "bs": 23.0, + "a2": 111.052757378822, + "a5": 120.87781051977, "sidechain_LEU": null, - "chainIndex": 320, + "chainIndex": 645, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.259831324548 + "a4": 110.065657229057 } }, { "pk": 1378, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "g", "sidechain_PRO": null, - "sidechain_ASN": 57, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.344815261073, - "psi": 118.742791499251, - "oldID": "541", - "bg": 13.38, + "a6": 118.832272123482, + "psi": -38.7868465725148, + "oldID": "647", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1640062344283, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1380, + "next": 1379, "sidechain_SER": null, - "bm": 14.0, + "bm": 30.0, "xpr": false, - "prev": 1376, + "prev": 1377, "terminal_flag": false, - "phi": -117.494522305952, + "phi": -66.7358922550569, "chainID": "A", "sidechain_GLN": null, - "ome": -178.942114085196, - "chi2": -142.706859808306, + "ome": -179.664468503886, + "chi2": null, "chi3": null, - "chi1": 178.102269377318, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.540676269589, - "L4": 1.51635224375253, - "L5": 1.23930914982372, - "L2": 1.45564997684133, - "L3": 1.52648095601907, - "a7": 123.459298973476, - "L1": 1.32644393518681, + "a1": 122.06349442844, + "L4": 1.5199314926018, + "L5": 1.2305089287641, + "L2": 1.44737352575573, + "L3": null, + "a7": 121.231880401255, + "L1": 1.33402065013467, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.791637386428, - "bs": 13.0, - "a2": 109.454901007612, - "a5": 120.191773175518, + "ss": "H", + "a3": 112.864752780309, + "bs": 0.0, + "a2": null, + "a5": 119.927705353818, "sidechain_LEU": null, - "chainIndex": 540, + "chainIndex": 646, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.880009243317 + "a4": null } }, { "pk": 1379, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 51, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.785895833797, - "psi": 126.642320977145, - "oldID": "322", - "bg": 146.48, + "a6": 116.989508404562, + "psi": -48.2429422395737, + "oldID": "648", + "bg": 36.78, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.8231073650798, + "zeta": 33.4688787971841, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 92, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1381, + "next": 1380, "sidechain_SER": null, - "bm": 146.0, + "bm": 32.0, "xpr": false, - "prev": 1377, + "prev": 1378, "terminal_flag": false, - "phi": -162.850213399774, + "phi": -65.3693847471629, "chainID": "A", "sidechain_GLN": null, - "ome": 178.561032620105, - "chi2": null, + "ome": -179.673294656461, + "chi2": 3.87041266639742, "chi3": null, - "chi1": 61.551979020886, + "chi1": -71.0597914624411, "chi4": null, "chi5": null, - "a1": 119.930647872122, - "L4": 1.5293699200323, - "L5": 1.2304487012896, - "L2": 1.46443396025574, - "L3": 1.5519273888732, - "a7": 122.973584641604, - "L1": 1.33190988830574, + "a1": 117.49533535056, + "L4": 1.51280002873863, + "L5": 1.22865318071038, + "L2": 1.45788573989175, + "L3": 1.52150249193529, + "a7": 123.055971618545, + "L1": 1.32887193265769, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 116.125243054824, - "bs": 146.0, - "a2": 111.28199278631, - "a5": 121.240171439998, + "ss": "H", + "a3": 111.769044206872, + "bs": 36.0, + "a2": 111.489891200446, + "a5": 119.946183224099, "sidechain_LEU": null, - "chainIndex": 321, + "chainIndex": 647, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.184684720019 + "a4": 109.804898183224 } }, { "pk": 1380, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.029909515606, - "psi": 111.486311527136, - "oldID": "542", - "bg": 14.58, + "a6": 116.46366242176, + "psi": -43.0955940780002, + "oldID": "649", + "bg": 29.54, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.307127295147, + "sidechain_ILE": 82, + "protein": "1TWF", + "zeta": 34.333477429292, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 93, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1382, + "next": 1381, "sidechain_SER": null, - "bm": 14.0, + "bm": 34.0, "xpr": false, - "prev": 1378, + "prev": 1379, "terminal_flag": false, - "phi": -113.081240640619, + "phi": -59.5675100952637, "chainID": "A", "sidechain_GLN": null, - "ome": -175.083266172943, - "chi2": null, + "ome": -179.323590415906, + "chi2": -169.720082363381, "chi3": null, - "chi1": 179.580353397417, + "chi1": -61.6529802407696, "chi4": null, "chi5": null, - "a1": 123.089106233785, - "L4": 1.53245419715619, - "L5": 1.22628018989499, - "L2": 1.46520455106617, - "L3": 1.54168137352412, - "a7": 122.152349975353, - "L1": 1.32577512659772, + "a1": 120.307668705539, + "L4": 1.51742677781282, + "L5": 1.23150296213022, + "L2": 1.45542285247628, + "L3": 1.53802745899037, + "a7": 122.995429576348, + "L1": 1.33016986078067, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.98559560832, - "bs": 15.0, - "a2": 111.758515037767, - "a5": 120.812400618592, + "ss": "H", + "a3": 111.253574680205, + "bs": 31.0, + "a2": 111.991266350946, + "a5": 120.535381056764, "sidechain_LEU": null, - "chainIndex": 541, + "chainIndex": 648, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.576756016579 + "a4": 108.422813458712 } }, { "pk": 1381, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.346593559745, - "psi": 170.790524219797, - "oldID": "323", - "bg": 142.27, + "a6": 117.027587243021, + "psi": -35.0679314906368, + "oldID": "650", + "bg": 20.73, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.788603089174, + "zeta": 33.6477221369635, "sidechain_PHE": null, - "sidechain_LYS": 91, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1383, + "next": 1382, "sidechain_SER": null, - "bm": 141.0, + "bm": 30.0, "xpr": false, - "prev": 1379, + "prev": 1380, "terminal_flag": false, - "phi": -126.723772003143, + "phi": -62.1205456261361, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.887997347556, - "chi2": -174.588962194713, - "chi3": 174.558904318421, - "chi1": -73.190074869714, - "chi4": -177.035862943035, + "sidechain_GLN": 60, + "ome": -179.336907395349, + "chi2": 165.163308269844, + "chi3": 19.6790717849923, + "chi1": -77.438431502216, + "chi4": null, "chi5": null, - "a1": 122.44073884831, - "L4": 1.52713980996444, - "L5": 1.23374574794117, - "L2": 1.46263190184464, - "L3": 1.53168009467296, - "a7": 122.988447171496, - "L1": 1.33072763580187, + "a1": 120.953128301487, + "L4": 1.52270363291953, + "L5": 1.23612767032442, + "L2": 1.46167337292709, + "L3": 1.53077559719608, + "a7": 122.622341622782, + "L1": 1.32846063957539, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.331836515473, - "bs": 142.0, - "a2": 111.129250472385, - "a5": 120.6649585029, + "ss": "H", + "a3": 114.507256453021, + "bs": 20.0, + "a2": 110.61239100628, + "a5": 120.331067933384, "sidechain_LEU": null, - "chainIndex": 322, + "chainIndex": 649, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.035092232431 + "a4": 109.52124460898 } }, { "pk": 1382, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "k", "sidechain_PRO": null, - "sidechain_ASN": 58, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.163896557836, - "psi": 167.993300361752, - "oldID": "543", - "bg": 15.47, + "a6": 116.109422223582, + "psi": -38.725226586717, + "oldID": "651", + "bg": 30.68, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.307864665718, + "protein": "1TWF", + "zeta": 32.94356829097, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 82, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1384, + "next": 1383, "sidechain_SER": null, - "bm": 14.0, + "bm": 32.0, "xpr": false, - "prev": 1380, + "prev": 1381, "terminal_flag": false, - "phi": -158.037827743518, + "phi": -72.0769174794451, "chainID": "A", "sidechain_GLN": null, - "ome": -177.584113569927, - "chi2": -32.4134329293259, - "chi3": null, - "chi1": -147.239464817615, - "chi4": null, + "ome": -179.456210046852, + "chi2": -148.388159069321, + "chi3": -131.286377482015, + "chi1": -58.875607684492, + "chi4": -52.8728402929763, "chi5": null, - "a1": 119.04594183085, - "L4": 1.51486938137589, - "L5": 1.23193176963148, - "L2": 1.45935541741204, - "L3": 1.54896394421435, - "a7": 123.999582769361, - "L1": 1.32101576345552, + "a1": 119.588235824522, + "L4": 1.52132606901753, + "L5": 1.23462881493985, + "L2": 1.46350810615479, + "L3": 1.53051866818413, + "a7": 122.288633636226, + "L1": 1.3318280949796, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.334343654644, - "bs": 15.0, - "a2": 111.586386436537, - "a5": 120.673541727559, + "ss": "H", + "a3": 113.246231238992, + "bs": 31.0, + "a2": 111.015629007742, + "a5": 121.594301250355, "sidechain_LEU": null, - "chainIndex": 542, + "chainIndex": 650, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.112342289807 + "a4": 110.494928287245 } }, { "pk": 1383, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.404731909717, - "psi": -165.460503828109, - "oldID": "324", - "bg": 134.21, + "a6": 116.199412244642, + "psi": -40.3142937186465, + "oldID": "652", + "bg": 33.93, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4049124678594, + "zeta": 35.621412636645, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 105, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1385, - "sidechain_SER": 70, - "bm": 136.0, + "next": 1384, + "sidechain_SER": null, + "bm": 33.0, "xpr": false, - "prev": 1381, + "prev": 1382, "terminal_flag": false, - "phi": -158.953271651735, + "phi": -70.8799153344545, "chainID": "A", "sidechain_GLN": null, - "ome": 179.858604187392, + "ome": -178.092816339504, "chi2": null, "chi3": null, - "chi1": 58.8554404287054, + "chi1": -171.872014192436, "chi4": null, "chi5": null, - "a1": 121.616067201956, - "L4": 1.52764284756354, - "L5": 1.23196120739037, - "L2": 1.45855575011575, - "L3": 1.5347290324795, - "a7": 122.879902717067, - "L1": 1.32897353093907, + "a1": 119.681486988139, + "L4": 1.51949783601118, + "L5": 1.22837654331643, + "L2": 1.44388758007132, + "L3": 1.51709009790063, + "a7": 122.804305155017, + "L1": 1.31639927716665, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.379828205554, - "bs": 134.0, - "a2": 110.35336871051, - "a5": 120.711980024077, + "ss": "H", + "a3": 111.752700947969, + "bs": 33.0, + "a2": 111.245282018006, + "a5": 120.991115985959, "sidechain_LEU": null, - "chainIndex": 323, + "chainIndex": 651, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.836978368836 + "a4": 107.006805958779 } }, { "pk": 1384, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.793900980705, - "psi": -38.0930538168249, - "oldID": "544", - "bg": 15.16, + "a6": 117.14102774316, + "psi": -47.3332769318592, + "oldID": "653", + "bg": 26.48, "sidechain_CYS": null, - "sidechain_ILE": 74, - "protein": "1H0H", - "zeta": 35.982679879904, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 33.4628295379895, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 106, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1386, + "next": 1385, "sidechain_SER": null, - "bm": 15.0, + "bm": 30.0, "xpr": false, - "prev": 1382, + "prev": 1383, "terminal_flag": false, - "phi": -73.78561867785, + "phi": -78.5514239104238, "chainID": "A", "sidechain_GLN": null, - "ome": -176.834083583551, - "chi2": 166.156561530729, + "ome": 179.177265718152, + "chi2": null, "chi3": null, - "chi1": -58.5618625422622, + "chi1": 176.253929258193, "chi4": null, "chi5": null, - "a1": 121.966373284071, - "L4": 1.52194885332479, - "L5": 1.23864874048732, - "L2": 1.45522116136432, - "L3": 1.53897605424773, - "a7": 123.712178005438, - "L1": 1.33030199481795, + "a1": 120.104721774454, + "L4": 1.52076125254191, + "L5": 1.22444575344411, + "L2": 1.44565580703213, + "L3": 1.53754763602861, + "a7": 123.314503798766, + "L1": 1.32284088863664, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.572037241007, - "bs": 14.0, - "a2": 109.643443887951, - "a5": 120.464183280547, + "ss": "H", + "a3": 113.211169303322, + "bs": 25.0, + "a2": 110.287474097015, + "a5": 119.538577521461, "sidechain_LEU": null, - "chainIndex": 543, + "chainIndex": 652, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.36228366289 + "a4": 110.728503712779 } }, { "pk": 1385, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 52, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.490187802531, - "psi": -38.3833957626794, - "oldID": "325", - "bg": 131.27, + "a6": 115.81356708785, + "psi": -40.5117466660438, + "oldID": "654", + "bg": 36.13, "sidechain_CYS": null, - "sidechain_ILE": 75, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2959043257627, + "zeta": 34.1469926946393, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1387, + "next": 1386, "sidechain_SER": null, - "bm": 134.0, + "bm": 36.0, "xpr": false, - "prev": 1383, + "prev": 1384, "terminal_flag": false, - "phi": -98.1189297074711, + "phi": -55.1725065829187, "chainID": "A", "sidechain_GLN": null, - "ome": 178.924433011982, - "chi2": 178.469218090312, + "ome": 178.29208172739, + "chi2": -6.88955628986762, "chi3": null, - "chi1": -59.4727314431795, + "chi1": -68.2151463468581, "chi4": null, "chi5": null, - "a1": 121.448162813597, - "L4": 1.52851298424272, - "L5": 1.2307451300252, - "L2": 1.45883651445092, - "L3": 1.54368190006856, - "a7": 122.958661344242, - "L1": 1.33001198989224, + "a1": 121.110534898147, + "L4": 1.52623209190333, + "L5": 1.23427783933783, + "L2": 1.45047567259245, + "L3": 1.53538952183854, + "a7": 123.922686791826, + "L1": 1.33178659304898, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.849801867972, - "bs": 131.0, - "a2": 111.45293930797, - "a5": 120.550002455357, + "ss": "H", + "a3": 108.788112050255, + "bs": 35.0, + "a2": 110.868258062309, + "a5": 120.260802550999, "sidechain_LEU": null, - "chainIndex": 324, + "chainIndex": 653, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.135951406984 + "a4": 110.550190213529 } }, { @@ -147321,199 +135217,199 @@ "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.377281895751, - "psi": 157.752666682067, - "oldID": "545", - "bg": 15.78, + "a6": 115.69298362843, + "psi": -48.8396725850602, + "oldID": "655", + "bg": 35.61, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.3461622511298, - "sidechain_PHE": 53, + "protein": "1TWF", + "zeta": 35.6021111929476, + "sidechain_PHE": 54, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1388, + "next": 1387, "sidechain_SER": null, - "bm": 15.0, + "bm": 37.0, "xpr": false, - "prev": 1384, + "prev": 1385, "terminal_flag": false, - "phi": -126.577491450435, + "phi": -64.5521229662694, "chainID": "A", "sidechain_GLN": null, - "ome": 167.340330433576, - "chi2": -70.9034065452408, + "ome": 179.840660528514, + "chi2": 77.5093472013413, "chi3": null, - "chi1": -61.9497462995932, + "chi1": -177.117902259775, "chi4": null, "chi5": null, - "a1": 123.034690224126, - "L4": 1.51997624914312, - "L5": 1.23637047793602, - "L2": 1.44370926933467, - "L3": 1.53045123950295, - "a7": 124.078555963595, - "L1": 1.3319659419961, + "a1": 123.487750052608, + "L4": 1.51752728487678, + "L5": 1.23675244422955, + "L2": 1.46340598295569, + "L3": 1.53527018244063, + "a7": 123.060233735138, + "L1": 1.33641744563856, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 110.720589602023, - "bs": 16.0, - "a2": 108.977507146232, - "a5": 119.448409583627, + "ss": "H", + "a3": 108.443338177421, + "bs": 36.0, + "a2": 111.918201291149, + "a5": 121.238473233301, "sidechain_LEU": null, - "chainIndex": 544, + "chainIndex": 654, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.750312649703 + "a4": 107.328435553773 } }, { "pk": 1387, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "w", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.760622018984, - "psi": -30.7679371603156, - "oldID": "326", - "bg": 137.53, + "a6": 116.177932446319, + "psi": -31.2550067894486, + "oldID": "656", + "bg": 34.21, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7127429860591, + "zeta": 34.6920701274333, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1389, + "sidechain_TRP": 12, + "next": 1388, "sidechain_SER": null, - "bm": 137.0, + "bm": 37.0, "xpr": false, - "prev": 1385, + "prev": 1386, "terminal_flag": false, - "phi": -62.0886352504305, + "phi": -64.6201787179116, "chainID": "A", "sidechain_GLN": null, - "ome": 179.338512683837, - "chi2": -84.7752514127406, - "chi3": -163.36038890756, - "chi1": 169.267124583465, - "chi4": 174.8130140071, - "chi5": -0.0870322561703255, - "a1": 121.898946964905, - "L4": 1.52807281502705, - "L5": 1.23215646867851, - "L2": 1.46277995134167, - "L3": 1.53738209405908, - "a7": 123.014746749218, - "L1": 1.33087299521685, - "sidechain_ARG": 64, + "ome": -179.507488832551, + "chi2": 80.8160834348524, + "chi3": null, + "chi1": -172.733913959302, + "chi4": null, + "chi5": null, + "a1": 119.913658052427, + "L4": 1.51408013996971, + "L5": 1.23150337035825, + "L2": 1.44656639673179, + "L3": 1.51513410562408, + "a7": 123.447064982845, + "L1": 1.3270506572273, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 107.900145505597, - "bs": 137.0, - "a2": 109.762069183193, - "a5": 121.222415394586, + "ss": "H", + "a3": 112.746577848163, + "bs": 31.0, + "a2": 111.780346302461, + "a5": 120.367745762214, "sidechain_LEU": null, - "chainIndex": 325, + "chainIndex": 655, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.99733801447 + "a4": 107.472030517824 } }, { "pk": 1388, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 82, - "a6": 116.899810333442, - "psi": 152.36313606169, - "oldID": "546", - "bg": 15.02, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.486878719683, + "psi": -30.7974720695078, + "oldID": "657", + "bg": 30.1, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6027462298085, + "protein": "1TWF", + "zeta": 34.8360774033761, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1391, + "next": 1389, "sidechain_SER": null, - "bm": 14.0, + "bm": 34.0, "xpr": false, - "prev": 1386, + "prev": 1387, "terminal_flag": false, - "phi": -62.1925751399023, + "phi": -77.9928376294013, "chainID": "A", "sidechain_GLN": null, - "ome": -167.409054767425, - "chi2": 3.09499467263968, + "ome": -179.626897809981, + "chi2": 61.0178870940742, "chi3": null, - "chi1": -168.476168622936, + "chi1": -168.573442854758, "chi4": null, "chi5": null, - "a1": 121.671374867819, - "L4": 1.53629830220647, - "L5": 1.22622862433247, - "L2": 1.47250333025732, - "L3": 1.52532275562828, - "a7": 122.464129650939, - "L1": 1.3357666870768, + "a1": 121.870803886874, + "L4": 1.51800062463002, + "L5": 1.22673099723498, + "L2": 1.45452662198129, + "L3": 1.53354986229843, + "a7": 123.042530222776, + "L1": 1.32775267843527, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 102.919644163445, - "bs": 14.0, - "a2": 110.222035002781, - "a5": 120.620990407759, - "sidechain_LEU": null, - "chainIndex": 545, + "ss": "H", + "a3": 110.685484850057, + "bs": 29.0, + "a2": 110.527904545342, + "a5": 120.470587652196, + "sidechain_LEU": 119, + "chainIndex": 656, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.648598610981 + "a4": 109.322339340897 } }, { "pk": 1389, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.185150390823, - "psi": 41.8033334578761, - "oldID": "327", - "bg": 0.0, + "a6": 116.841242519519, + "psi": -12.058640438036, + "oldID": "658", + "bg": 31.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5409267425798, + "zeta": 34.8506585490819, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -147522,101 +135418,101 @@ "sidechain_TRP": null, "next": 1390, "sidechain_SER": null, - "bm": 142.0, + "bm": 34.0, "xpr": false, - "prev": 1387, + "prev": 1388, "terminal_flag": false, - "phi": -108.102186650694, + "phi": -69.9099717651918, "chainID": "A", "sidechain_GLN": null, - "ome": 179.702289890449, - "chi2": null, + "ome": -178.862520312116, + "chi2": 61.8170062265165, "chi3": null, - "chi1": null, + "chi1": 170.282090113912, "chi4": null, "chi5": null, - "a1": 122.107453945778, - "L4": 1.52566883629657, - "L5": 1.2320959692416, - "L2": 1.4582956172656, - "L3": 1.52540486791198, - "a7": 122.861708078348, - "L1": 1.32947359213187, + "a1": 121.7783511466, + "L4": 1.51839159936224, + "L5": 1.22804724155075, + "L2": 1.45755922895657, + "L3": 1.5414796325157, + "a7": 122.299804804869, + "L1": 1.33082210085474, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 109.749999051799, - "bs": 141.0, - "a2": 110.190959337411, - "a5": 120.951239844624, - "sidechain_LEU": null, - "chainIndex": 326, + "ss": "H", + "a3": 111.57150476536, + "bs": 28.0, + "a2": 110.336683075809, + "a5": 120.85379001553, + "sidechain_LEU": 120, + "chainIndex": 657, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.196021569324 + "a4": 109.303087581511 } }, { "pk": 1390, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.670871662291, - "psi": -18.9337459484911, - "oldID": "328", - "bg": 148.42, + "a6": 114.745942990201, + "psi": 0.52217610107298, + "oldID": "659", + "bg": 31.56, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7984542248552, + "zeta": 33.2623254941462, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1392, + "next": 1391, "sidechain_SER": null, - "bm": 146.0, + "bm": 34.0, "xpr": false, "prev": 1389, "terminal_flag": false, - "phi": -110.51944539843, + "phi": -118.870070027309, "chainID": "A", "sidechain_GLN": null, - "ome": 179.679407219665, - "chi2": 178.656483805507, - "chi3": -152.954475940902, - "chi1": -161.086003164646, - "chi4": 177.527975133568, - "chi5": 0.0657920853059811, - "a1": 121.166322045021, - "L4": 1.51988170759861, - "L5": 1.2308043100067, - "L2": 1.45635761589389, - "L3": 1.52904949052938, - "a7": 123.238815893114, - "L1": 1.32957722800481, - "sidechain_ARG": 65, + "ome": 178.601922656815, + "chi2": null, + "chi3": null, + "chi1": -65.2630419004967, + "chi4": null, + "chi5": null, + "a1": 118.562287825805, + "L4": 1.49698811249293, + "L5": 1.23129822750169, + "L2": 1.44589896122092, + "L3": 1.5206074415783, + "a7": 123.484070231896, + "L1": 1.32386045621882, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.588710069794, - "bs": 150.0, - "a2": 110.34604819519, - "a5": 121.090141527435, + "ss": "T", + "a3": 111.413890640841, + "bs": 33.0, + "a2": 109.891345108023, + "a5": 121.758402976682, "sidechain_LEU": null, - "chainIndex": 327, - "sidechain_HIS": null, + "chainIndex": 658, + "sidechain_HIS": 50, "h_bond_energy": 0.0, - "a4": 109.799919067793 + "a4": 111.969147913865 } }, { @@ -147625,242 +135521,242 @@ "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 59, - "chain": "1H0HA", + "sidechain_ASN": 53, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.6113729982, - "psi": 173.730138890121, - "oldID": "547", - "bg": 16.17, + "a6": 114.971002275499, + "psi": -44.1927181715163, + "oldID": "660", + "bg": 29.21, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.6341414987914, + "protein": "1TWF", + "zeta": 35.8357613000328, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1393, + "next": 1392, "sidechain_SER": null, - "bm": 14.0, + "bm": 27.0, "xpr": false, - "prev": 1388, + "prev": 1390, "terminal_flag": false, - "phi": -162.121019338284, + "phi": -106.781425471491, "chainID": "A", "sidechain_GLN": null, - "ome": -175.188941367757, - "chi2": 83.6756141064543, + "ome": -178.204753125491, + "chi2": 87.6097088035597, "chi3": null, - "chi1": 62.1201608311351, + "chi1": 178.461793204531, "chi4": null, "chi5": null, - "a1": 120.87706219775, - "L4": 1.53376340059625, - "L5": 1.23537141006921, - "L2": 1.43528550241344, - "L3": 1.5232085800771, - "a7": 123.288846877218, - "L1": 1.32247209559808, + "a1": 120.059895815541, + "L4": 1.50652791531717, + "L5": 1.22989033847024, + "L2": 1.43462781082055, + "L3": 1.51764601728658, + "a7": 122.898255761188, + "L1": 1.32058403558574, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.731922715477, - "bs": 15.0, - "a2": 106.158645574068, - "a5": 121.084578921973, + "ss": "T", + "a3": 105.702829559372, + "bs": 30.0, + "a2": 110.396084573482, + "a5": 122.128932469647, "sidechain_LEU": null, - "chainIndex": 546, + "chainIndex": 659, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.51857251008 + "a4": 109.22365427308 } }, { "pk": 1392, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.002511188725, - "psi": 17.8655196566453, - "oldID": "329", - "bg": 147.91, + "a6": 114.285059690652, + "psi": 146.747435551604, + "oldID": "661", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4808326107595, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1394, + "next": 1393, "sidechain_SER": null, - "bm": 149.0, + "bm": 26.0, "xpr": false, - "prev": 1390, + "prev": 1391, "terminal_flag": false, - "phi": -91.3079723982087, + "phi": 79.7154324960118, "chainID": "A", "sidechain_GLN": null, - "ome": 178.970165958051, - "chi2": 173.739304543792, + "ome": 177.596709995417, + "chi2": null, "chi3": null, - "chi1": -63.1669923670805, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.095026264678, - "L4": 1.52998571154419, - "L5": 1.22980228121519, - "L2": 1.45691598323093, - "L3": 1.53563293776169, - "a7": 122.940350214781, - "L1": 1.32813111389402, + "a1": 119.442856363851, + "L4": 1.53271705130987, + "L5": 1.25299682767521, + "L2": 1.44853961180869, + "L3": null, + "a7": 122.817184504917, + "L1": 1.32291090268663, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.221003146508, - "bs": 147.0, - "a2": 110.214648246049, - "a5": 121.054413512792, - "sidechain_LEU": 114, - "chainIndex": 328, + "a3": 112.607480304633, + "bs": 0.0, + "a2": null, + "a5": 122.886479749122, + "sidechain_LEU": null, + "chainIndex": 660, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.230500773609 + "a4": null } }, { "pk": 1393, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.29003998385, - "psi": -26.1210261112791, - "oldID": "548", - "bg": 15.37, + "a6": 116.863582907681, + "psi": 143.07357011874, + "oldID": "662", + "bg": 27.99, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1510192952088, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 34.9891153478512, + "sidechain_PHE": 55, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1395, + "next": 1394, "sidechain_SER": null, - "bm": 13.0, + "bm": 25.0, "xpr": false, - "prev": 1391, + "prev": 1392, "terminal_flag": false, - "phi": -60.6560889134349, + "phi": -150.277769114409, "chainID": "A", "sidechain_GLN": null, - "ome": -178.548122561848, - "chi2": 76.1751487177694, - "chi3": 22.0527562253495, - "chi1": -68.8682368527682, + "ome": -177.186181958399, + "chi2": 71.3757829520472, + "chi3": null, + "chi1": -174.467672956366, "chi4": null, "chi5": null, - "a1": 123.078660190952, - "L4": 1.52565801070735, - "L5": 1.22869958699469, - "L2": 1.4629836181434, - "L3": 1.52213658627061, - "a7": 122.507978404551, - "L1": 1.32928542193623, + "a1": 123.55349559196, + "L4": 1.52779679972216, + "L5": 1.23840165463182, + "L2": 1.46125578121688, + "L3": 1.5243359614468, + "a7": 122.728141769602, + "L1": 1.33215864294257, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 107, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.896595952238, - "bs": 15.0, - "a2": 109.019692982485, - "a5": 120.201166010012, + "ss": "B", + "a3": 106.985304341034, + "bs": 25.0, + "a2": 111.808302577073, + "a5": 120.380141330179, "sidechain_LEU": null, - "chainIndex": 547, + "chainIndex": 661, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.807903876611 + "a4": 108.561651236796 } }, { "pk": 1394, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.952378580984, - "psi": 8.64635022196445, - "oldID": "330", - "bg": 151.82, + "a6": 117.5855008421, + "psi": -179.641147113537, + "oldID": "663", + "bg": 20.01, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8117919615123, + "zeta": 36.4558813368975, "sidechain_PHE": null, - "sidechain_LYS": 92, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1396, - "sidechain_SER": null, - "bm": 152.0, + "next": 1395, + "sidechain_SER": 67, + "bm": 23.0, "xpr": false, - "prev": 1392, + "prev": 1393, "terminal_flag": false, - "phi": -75.8894975428123, + "phi": -151.350041590285, "chainID": "A", "sidechain_GLN": null, - "ome": 179.683013581677, - "chi2": 178.511532646615, - "chi3": 175.076376561524, - "chi1": -76.3460826985829, - "chi4": 174.813757183529, + "ome": 177.442597559868, + "chi2": null, + "chi3": null, + "chi1": -160.760839602766, + "chi4": null, "chi5": null, - "a1": 122.310578876508, - "L4": 1.5254033949555, - "L5": 1.23401123000266, - "L2": 1.46102642382791, - "L3": 1.53119593995646, - "a7": 123.614417128356, - "L1": 1.33048517507454, + "a1": 121.498307487095, + "L4": 1.5216196149986, + "L5": 1.22132874434725, + "L2": 1.46811689615183, + "L3": 1.5380943780149, + "a7": 122.78495043492, + "L1": 1.33237230245042, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 108.028623618948, - "bs": 151.0, - "a2": 110.366686603508, - "a5": 121.43254430067, + "ss": "-", + "a3": 110.136085672816, + "bs": 20.0, + "a2": 108.820514964353, + "a5": 119.613248587885, "sidechain_LEU": null, - "chainIndex": 329, + "chainIndex": 662, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.150760083973 + "a4": 108.772645121709 } }, { @@ -147870,58 +135766,58 @@ "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.532927195472, - "psi": -57.4604816898056, - "oldID": "549", - "bg": 15.34, + "a6": 117.955601255066, + "psi": 147.605872216717, + "oldID": "664", + "bg": 37.32, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3904790566268, + "protein": "1TWF", + "zeta": 35.2291183201855, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 71, + "sidechain_THR": 68, "sidechain_TRP": null, - "next": 1397, + "next": 1396, "sidechain_SER": null, - "bm": 13.0, + "bm": 27.0, "xpr": false, - "prev": 1393, + "prev": 1394, "terminal_flag": false, - "phi": -84.0942871887308, + "phi": -154.948466112558, "chainID": "A", "sidechain_GLN": null, - "ome": 177.415742557881, + "ome": 179.975666847588, "chi2": null, "chi3": null, - "chi1": -65.5738536950581, + "chi1": -69.771649096236, "chi4": null, "chi5": null, - "a1": 120.232526640491, - "L4": 1.53824637182781, - "L5": 1.24498669420423, - "L2": 1.46258445109401, - "L3": 1.55800842739806, - "a7": 121.958907894148, - "L1": 1.33092126097852, + "a1": 122.936260619474, + "L4": 1.51887449517502, + "L5": 1.21949055550725, + "L2": 1.47574991873437, + "L3": 1.56147062644903, + "a7": 123.21852192657, + "L1": 1.33500285060369, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.635185173665, - "bs": 15.0, - "a2": 110.951164303288, - "a5": 121.478038993463, + "ss": "-", + "a3": 106.037659571829, + "bs": 33.0, + "a2": 112.340991889377, + "a5": 118.825521531802, "sidechain_LEU": null, - "chainIndex": 548, + "chainIndex": 663, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.741769583454 + "a4": 108.341631606449 } }, { @@ -147933,9 +135829,9 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.32339139435, - "psi": 32.3921152295911, - "oldID": "331", + "a6": 118.639760961512, + "psi": -174.531250336782, + "oldID": "665", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, @@ -147947,39 +135843,39 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1398, + "next": 1397, "sidechain_SER": null, - "bm": 153.0, + "bm": 28.0, "xpr": false, - "prev": 1394, + "prev": 1395, "terminal_flag": false, - "phi": -165.830056949028, + "phi": -157.471513802427, "chainID": "A", "sidechain_GLN": null, - "ome": 179.709761381878, + "ome": -179.016383565832, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 122.395224020013, - "L4": 1.51598833769237, - "L5": 1.22893517264798, - "L2": 1.45078874749868, + "a1": 122.118202139197, + "L4": 1.51923666561423, + "L5": 1.22849811158661, + "L2": 1.46387600596373, "L3": null, - "a7": 123.350192218873, - "L1": 1.33020686450691, + "a7": 121.861882999843, + "L1": 1.33666779392761, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 108.600264915121, + "ss": "-", + "a3": 113.672548962153, "bs": 0.0, "a2": null, - "a5": 121.325766230946, + "a5": 119.497999044605, "sidechain_LEU": null, - "chainIndex": 330, + "chainIndex": 664, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null @@ -147989,671 +135885,671 @@ "pk": 1397, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.036134664394, - "psi": -34.5070158811632, - "oldID": "550", - "bg": 0.0, + "a6": 114.433754966732, + "psi": -36.6116570549738, + "oldID": "666", + "bg": 31.97, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "sidechain_ILE": 83, + "protein": "1TWF", + "zeta": 36.2083206214481, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1399, + "next": 1398, "sidechain_SER": null, - "bm": 13.0, + "bm": 30.0, "xpr": false, - "prev": 1395, + "prev": 1396, "terminal_flag": false, - "phi": -55.8927440189177, + "phi": -57.148909702087, "chainID": "A", "sidechain_GLN": null, - "ome": -178.641600021815, - "chi2": null, + "ome": -179.064276603067, + "chi2": -179.219168015609, "chi3": null, - "chi1": null, + "chi1": -19.1083190293264, "chi4": null, "chi5": null, - "a1": 120.250080547259, - "L4": 1.52276310560769, - "L5": 1.23022836776503, - "L2": 1.46094992146857, - "L3": null, - "a7": 122.574657997739, - "L1": 1.32307716796089, + "a1": 120.363361956215, + "L4": 1.51203197026237, + "L5": 1.23389229127637, + "L2": 1.47629892350505, + "L3": 1.53269503918131, + "a7": 124.368989283238, + "L1": 1.33420541814533, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.470888144709, - "bs": 0.0, - "a2": null, - "a5": 120.380985390853, + "ss": "G", + "a3": 111.930799107439, + "bs": 31.0, + "a2": 112.598259332751, + "a5": 121.134918742708, "sidechain_LEU": null, - "chainIndex": 549, + "chainIndex": 665, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 104.73661993367 } }, { "pk": 1398, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.567927277958, - "psi": -37.4929339480269, - "oldID": "332", - "bg": 153.98, + "a6": 114.854049253672, + "psi": -43.3176054875367, + "oldID": "667", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.760919219253, + "zeta": null, "sidechain_PHE": null, - "sidechain_LYS": 93, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1400, + "next": 1399, "sidechain_SER": null, - "bm": 153.0, + "bm": 33.0, "xpr": false, - "prev": 1396, + "prev": 1397, "terminal_flag": false, - "phi": -142.369757195151, + "phi": -50.1006496866538, "chainID": "A", "sidechain_GLN": null, - "ome": 178.076686151888, - "chi2": -178.362007796855, - "chi3": 177.742658940854, - "chi1": -57.479135421687, - "chi4": -179.70488665139, + "ome": -179.378589258477, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, "chi5": null, - "a1": 122.754353643191, - "L4": 1.52066924837888, - "L5": 1.22978332003437, - "L2": 1.4578098827704, - "L3": 1.52748688236142, - "a7": 123.267484383603, - "L1": 1.32969695437801, + "a1": 121.973261479939, + "L4": 1.51066684342857, + "L5": 1.23530621172685, + "L2": 1.44978985788429, + "L3": null, + "a7": 123.450459302851, + "L1": 1.33180508628224, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 108.852982527643, - "bs": 154.0, - "a2": 109.877032634721, - "a5": 121.164376272361, + "ss": "G", + "a3": 112.357036563858, + "bs": 0.0, + "a2": null, + "a5": 121.695289466636, "sidechain_LEU": null, - "chainIndex": 331, + "chainIndex": 666, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.501000222678 + "a4": null } }, { "pk": 1399, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.208340904471, - "psi": 31.8739168336859, - "oldID": "551", - "bg": 14.67, + "chain": "1TWFA", + "sidechain_ASP": 90, + "a6": 116.988991959676, + "psi": -6.10679009225237, + "oldID": "668", + "bg": 37.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.3295430145031, + "protein": "1TWF", + "zeta": 34.3730369960262, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1401, - "sidechain_SER": 71, - "bm": 13.0, + "next": 1400, + "sidechain_SER": null, + "bm": 34.0, "xpr": false, - "prev": 1397, + "prev": 1398, "terminal_flag": false, - "phi": -108.296405496155, + "phi": -63.6405234901274, "chainID": "A", "sidechain_GLN": null, - "ome": -178.305632808984, - "chi2": null, + "ome": 178.853621116456, + "chi2": -62.0590783636824, "chi3": null, - "chi1": -82.6790160166098, + "chi1": -61.6826829238482, "chi4": null, "chi5": null, - "a1": 121.505463300858, - "L4": 1.52668395180831, - "L5": 1.21922248751766, - "L2": 1.45979409040411, - "L3": 1.53331022229496, - "a7": 123.265832323746, - "L1": 1.33447638176989, + "a1": 122.372924589486, + "L4": 1.52562790403141, + "L5": 1.22532702928102, + "L2": 1.44674496696141, + "L3": 1.50992005603758, + "a7": 122.779911882973, + "L1": 1.32399400885212, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.910147604674, - "bs": 13.0, - "a2": 109.867688846513, - "a5": 119.522677241447, + "ss": "G", + "a3": 114.739851854588, + "bs": 37.0, + "a2": 107.588193524974, + "a5": 120.222178578363, "sidechain_LEU": null, - "chainIndex": 550, + "chainIndex": 667, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.416852756564 + "a4": 111.37954003894 } }, { "pk": 1400, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.856057261963, - "psi": -2.9711808319542, - "oldID": "333", - "bg": 152.66, + "a6": 116.659328285655, + "psi": 10.7013016255372, + "oldID": "669", + "bg": 24.99, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1767425204853, + "zeta": 35.0127450665446, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 69, "sidechain_TRP": null, - "next": 1402, + "next": 1401, "sidechain_SER": null, - "bm": 154.0, + "bm": 36.0, "xpr": false, - "prev": 1398, + "prev": 1399, "terminal_flag": false, - "phi": -92.462350888729, + "phi": -111.877053643879, "chainID": "A", "sidechain_GLN": null, - "ome": 179.399723613976, - "chi2": -175.127782834129, - "chi3": 78.4225119557783, - "chi1": 80.7083665229895, + "ome": -179.516372723593, + "chi2": null, + "chi3": null, + "chi1": 89.3990655838076, "chi4": null, "chi5": null, - "a1": 121.601230387757, - "L4": 1.52627109288803, - "L5": 1.23100991500302, - "L2": 1.45539645209363, - "L3": 1.53385623287582, - "a7": 123.548829152405, - "L1": 1.32759407368195, + "a1": 121.433586388371, + "L4": 1.52966571938935, + "L5": 1.23846935263148, + "L2": 1.46311567218732, + "L3": 1.56516605069347, + "a7": 122.692685134172, + "L1": 1.33215028793845, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 108, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 103.12957148911, - "bs": 152.0, - "a2": 111.06750909239, - "a5": 121.595110703813, + "ss": "G", + "a3": 112.835129342335, + "bs": 30.0, + "a2": 111.921371101188, + "a5": 120.637131060114, "sidechain_LEU": null, - "chainIndex": 332, + "chainIndex": 668, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.124917900307 + "a4": 107.232361364235 } }, { "pk": 1401, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.081131247917, - "psi": -31.4751834004036, - "oldID": "552", - "bg": 15.42, + "a6": 116.224571124407, + "psi": 123.011824131495, + "oldID": "670", + "bg": 36.23, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3277085992004, - "sidechain_PHE": 54, + "sidechain_ILE": 84, + "protein": "1TWF", + "zeta": 35.5726204359719, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1403, + "next": 1402, "sidechain_SER": null, - "bm": 14.0, + "bm": 39.0, "xpr": false, - "prev": 1399, + "prev": 1400, "terminal_flag": false, - "phi": -60.4121863164623, + "phi": -103.210324403189, "chainID": "A", "sidechain_GLN": null, - "ome": -178.689067472075, - "chi2": -89.669935686206, + "ome": 178.382540830965, + "chi2": 178.989924586656, "chi3": null, - "chi1": 80.0679222723912, + "chi1": -52.9343856494189, "chi4": null, "chi5": null, - "a1": 121.241311260662, - "L4": 1.51599962092605, - "L5": 1.22365156275624, - "L2": 1.45327985150232, - "L3": 1.54135673214793, - "a7": 122.897819759694, - "L1": 1.3389612576836, + "a1": 121.259062477842, + "L4": 1.51928538170135, + "L5": 1.22914364581777, + "L2": 1.46328654551564, + "L3": 1.52150862216183, + "a7": 123.635296718707, + "L1": 1.33085143821507, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.57140509353, - "bs": 15.0, - "a2": 110.524891272223, - "a5": 121.020130773987, + "ss": "-", + "a3": 113.078817850589, + "bs": 36.0, + "a2": 111.747035618316, + "a5": 120.132128128768, "sidechain_LEU": null, - "chainIndex": 551, + "chainIndex": 669, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.201992564875 + "a4": 106.116220221407 } }, { "pk": 1402, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.576834415773, - "psi": -6.36522581594615, - "oldID": "334", + "a6": 115.435787921087, + "psi": 152.014841327995, + "oldID": "671", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.6086559268656, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1404, + "next": 1403, "sidechain_SER": null, - "bm": 155.0, + "bm": 45.0, "xpr": false, - "prev": 1400, + "prev": 1401, "terminal_flag": false, - "phi": -119.00679124695, + "phi": -95.589798105216, "chainID": "A", "sidechain_GLN": null, - "ome": 179.224090900574, + "ome": -179.644093903562, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.693618131506, - "L4": 1.5171416289719, - "L5": 1.231424041405, - "L2": 1.45000591932848, - "L3": null, - "a7": 122.657661829451, - "L1": 1.33106420010275, + "a1": 122.056433884693, + "L4": 1.52946376400427, + "L5": 1.22864252976377, + "L2": 1.45812975164735, + "L3": 1.5127900917912, + "a7": 123.717081117728, + "L1": 1.33214039230108, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.568369070409, - "bs": 0.0, - "a2": null, - "a5": 120.765003911685, + "ss": "-", + "a3": 109.703055578027, + "bs": 42.0, + "a2": 110.371998495315, + "a5": 120.845432085281, "sidechain_LEU": null, - "chainIndex": 333, + "chainIndex": 670, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.745112359333 } }, { "pk": 1403, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.226246182148, - "psi": -10.0693341661053, - "oldID": "553", - "bg": 14.72, + "chain": "1TWFA", + "sidechain_ASP": 91, + "a6": 116.717475804587, + "psi": 141.667791330926, + "oldID": "672", + "bg": 65.67, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4553605980394, + "protein": "1TWF", + "zeta": 35.1503215034788, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 22, - "next": 1405, + "sidechain_TRP": null, + "next": 1404, "sidechain_SER": null, - "bm": 15.0, + "bm": 55.0, "xpr": false, - "prev": 1401, + "prev": 1402, "terminal_flag": false, - "phi": -66.3534869431576, + "phi": -45.1431787364684, "chainID": "A", "sidechain_GLN": null, - "ome": 176.307706063936, - "chi2": -88.5117080565007, + "ome": 179.347548744044, + "chi2": 83.7783993929254, "chi3": null, - "chi1": 44.9122460689338, + "chi1": -115.278526475267, "chi4": null, "chi5": null, - "a1": 122.165999230364, - "L4": 1.53830483258978, - "L5": 1.21635160731184, - "L2": 1.4599455566223, - "L3": 1.5290481112536, - "a7": 121.743176247307, - "L1": 1.33170865778556, + "a1": 124.706300145291, + "L4": 1.53895923529427, + "L5": 1.23443608714859, + "L2": 1.46525706319413, + "L3": 1.53764464903861, + "a7": 122.607137039549, + "L1": 1.33240313985827, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 114.251904935791, - "bs": 14.0, - "a2": 110.264622066147, - "a5": 119.992156974497, + "ss": "-", + "a3": 113.671971926223, + "bs": 65.0, + "a2": 108.572333153811, + "a5": 120.674044932491, "sidechain_LEU": null, - "chainIndex": 552, + "chainIndex": 671, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.131559505678 + "a4": 109.82568584494 } }, { "pk": 1404, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.231744313145, - "psi": -35.5172648187348, - "oldID": "335", - "bg": 154.91, + "a6": 117.574208927698, + "psi": -40.940244209307, + "oldID": "673", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9134891862114, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1406, + "next": 1405, "sidechain_SER": null, - "bm": 157.0, + "bm": 55.0, "xpr": false, - "prev": 1402, + "prev": 1403, "terminal_flag": false, - "phi": -93.4001863178795, + "phi": -53.8617429997153, "chainID": "A", "sidechain_GLN": null, - "ome": 177.766011755762, - "chi2": 162.411620760456, - "chi3": -172.613295094937, - "chi1": -151.298623659564, - "chi4": 177.913281631737, - "chi5": 0.0518139129093692, - "a1": 120.672519109129, - "L4": 1.5288503664502, - "L5": 1.23290990671897, - "L2": 1.45823485676014, - "L3": 1.533252698587, - "a7": 123.058367126172, - "L1": 1.33026642458703, - "sidechain_ARG": 66, + "ome": 179.689306409904, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 120.625162088067, + "L4": 1.51403308291152, + "L5": 1.23228278533898, + "L2": 1.45174799438899, + "L3": null, + "a7": 121.651340388835, + "L1": 1.33389619708237, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 108.426110691207, - "bs": 153.0, - "a2": 110.583306945606, - "a5": 120.70774326973, + "ss": "H", + "a3": 109.661641132936, + "bs": 0.0, + "a2": null, + "a5": 120.774345163119, "sidechain_LEU": null, - "chainIndex": 334, + "chainIndex": 672, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.199002350748 + "a4": null } }, { "pk": 1405, "model": "pgd_core.residue", "fields": { - "aa": "r", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 86, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.947235539697, - "psi": 20.3276146883658, - "oldID": "554", - "bg": 16.89, + "a6": 116.434788210971, + "psi": -35.7780907307911, + "oldID": "674", + "bg": 58.78, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8885994353685, + "protein": "1TWF", + "zeta": 37.1728159602028, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1407, + "next": 1406, "sidechain_SER": null, - "bm": 14.0, + "bm": 57.0, "xpr": false, - "prev": 1403, + "prev": 1404, "terminal_flag": false, - "phi": -122.534386032533, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.552033995687, - "chi2": 176.063401162086, - "chi3": -169.642381200417, - "chi1": 54.0451360828231, - "chi4": 93.5134507863784, - "chi5": 0.977723417603608, - "a1": 121.216782228358, - "L4": 1.53314789120441, - "L5": 1.23788349262899, - "L2": 1.46081912301539, - "L3": 1.53922177985973, - "a7": 123.093239776979, - "L1": 1.32287978343451, - "sidechain_ARG": 67, + "phi": -71.3992928480696, + "chainID": "A", + "sidechain_GLN": null, + "ome": 178.899042241139, + "chi2": -42.7070804334509, + "chi3": 36.4007470163484, + "chi1": 32.1657991706622, + "chi4": -16.4837812773039, + "chi5": null, + "a1": 119.408644365658, + "L4": 1.52802250068285, + "L5": 1.23456931990782, + "L2": 1.46187201453126, + "L3": 1.52872049511356, + "a7": 123.033749689587, + "L1": 1.33847201484966, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 110.732648715299, - "bs": 20.0, - "a2": 111.870851223019, - "a5": 120.957450340344, + "omep": -4.24155436247825, + "ss": "H", + "a3": 110.511894106208, + "bs": 58.0, + "a2": 102.997876048611, + "a5": 120.530389260738, "sidechain_LEU": null, - "chainIndex": 553, + "chainIndex": 673, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.657628344024 + "a4": 113.230019844057 } }, { "pk": 1406, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.517108404267, - "psi": -25.5951171466602, - "oldID": "336", - "bg": 158.58, + "a6": 116.608770362939, + "psi": -37.3428402713358, + "oldID": "675", + "bg": 54.18, "sidechain_CYS": null, - "sidechain_ILE": 76, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3644163622913, + "zeta": 34.7869766174394, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 70, "sidechain_TRP": null, - "next": 1408, + "next": 1407, "sidechain_SER": null, - "bm": 159.0, + "bm": 56.0, "xpr": false, - "prev": 1404, + "prev": 1405, "terminal_flag": false, - "phi": -83.6355032270066, + "phi": -63.3419370857108, "chainID": "A", "sidechain_GLN": null, - "ome": 179.1320594495, - "chi2": 175.612746476439, + "ome": 179.766127364045, + "chi2": null, "chi3": null, - "chi1": -59.3813503211074, + "chi1": -59.9010466486701, "chi4": null, "chi5": null, - "a1": 122.014995024058, - "L4": 1.52628910291277, - "L5": 1.23154214723882, - "L2": 1.46082693478305, - "L3": 1.54852811208455, - "a7": 123.266240699416, - "L1": 1.33201523070748, + "a1": 121.243857671191, + "L4": 1.52844705816398, + "L5": 1.22697082828223, + "L2": 1.45834537732952, + "L3": 1.54985447716981, + "a7": 122.339469221508, + "L1": 1.33385743334214, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 105.663817344711, - "bs": 158.0, - "a2": 111.742819600127, - "a5": 121.216501451516, + "ss": "H", + "a3": 108.312734855603, + "bs": 54.0, + "a2": 111.755572012575, + "a5": 121.049456017709, "sidechain_LEU": null, - "chainIndex": 335, + "chainIndex": 674, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.709965297205 + "a4": 108.934188805139 } }, { "pk": 1407, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.673710030415, - "psi": -175.136702657102, - "oldID": "555", - "bg": 0.0, + "a6": 116.277607570429, + "psi": -28.5118055102073, + "oldID": "676", + "bg": 58.47, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.4859229531968, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 35, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1409, + "next": 1408, "sidechain_SER": null, - "bm": 15.0, + "bm": 59.0, "xpr": false, - "prev": 1405, + "prev": 1406, "terminal_flag": false, - "phi": -82.8823351603535, + "phi": -66.1097982765353, "chainID": "A", "sidechain_GLN": null, - "ome": -176.539846472176, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": -178.971471889764, + "chi2": -45.5944368106011, + "chi3": -63.9842311972792, + "chi1": -73.4065474524743, "chi4": null, "chi5": null, - "a1": 122.056422516036, - "L4": 1.51899479211518, - "L5": 1.24059026756551, - "L2": 1.44704345203458, - "L3": null, - "a7": 122.894157665543, - "L1": 1.33170466425848, + "a1": 120.26369822924, + "L4": 1.51981603911821, + "L5": 1.22827925922007, + "L2": 1.4529242667381, + "L3": 1.53420325407928, + "a7": 122.835768646534, + "L1": 1.32664550070974, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 112.801994683222, - "bs": 0.0, - "a2": null, - "a5": 121.424469830601, + "ss": "H", + "a3": 111.388857396182, + "bs": 60.0, + "a2": 111.204968873594, + "a5": 120.886334762124, "sidechain_LEU": null, - "chainIndex": 554, + "chainIndex": 675, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 108.926952459518 } }, { @@ -148665,666 +136561,666 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.912480822379, - "psi": -26.6621270571821, - "oldID": "337", - "bg": 161.28, + "a6": 115.171074197283, + "psi": -21.7076286679716, + "oldID": "677", + "bg": 70.11, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.0815822568538, + "zeta": 34.4688209068504, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1410, + "next": 1409, "sidechain_SER": null, - "bm": 161.0, + "bm": 60.0, "xpr": false, - "prev": 1406, + "prev": 1407, "terminal_flag": false, - "phi": -70.8989738133021, + "phi": -79.7439992749487, "chainID": "A", "sidechain_GLN": null, - "ome": 179.403883620974, - "chi2": -177.685011990502, - "chi3": -58.7077203070598, - "chi1": -179.262191879519, - "chi4": 179.274788828624, - "chi5": -0.102333454949832, - "a1": 122.396617997325, - "L4": 1.52486789179025, - "L5": 1.23111733960303, - "L2": 1.46023899321251, - "L3": 1.53179013757695, - "a7": 123.172627101872, - "L1": 1.33115378719216, - "sidechain_ARG": 68, + "ome": 179.096901061576, + "chi2": 152.892948709551, + "chi3": -49.0842711012196, + "chi1": -145.610875068758, + "chi4": -166.030501774703, + "chi5": 0.438341019322903, + "a1": 121.160684521618, + "L4": 1.52680807930077, + "L5": 1.23215147249178, + "L2": 1.4555299406573, + "L3": 1.53130078555104, + "a7": 123.084303578646, + "L1": 1.32670595675876, + "sidechain_ARG": 72, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.111279637587, - "bs": 161.0, - "a2": 110.288670546038, - "a5": 120.914887606236, + "ss": "H", + "a3": 109.241427854734, + "bs": 76.0, + "a2": 109.538681938026, + "a5": 121.73927581583, "sidechain_LEU": null, - "chainIndex": 336, + "chainIndex": 676, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.813015494044 + "a4": 111.191548878948 } }, { "pk": 1409, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 71, + "aa": "e", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.449197022447, - "psi": 130.681047329421, - "oldID": "556", - "bg": 16.69, + "a6": 115.923830405348, + "psi": -34.8529853298628, + "oldID": "678", + "bg": 66.88, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.3285582170894, + "protein": "1TWF", + "zeta": 35.4912452354662, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1411, + "next": 1410, "sidechain_SER": null, - "bm": 16.0, + "bm": 56.0, "xpr": false, - "prev": 1407, + "prev": 1408, "terminal_flag": false, - "phi": -51.4958571837962, + "phi": -83.1974533840596, "chainID": "A", "sidechain_GLN": null, - "ome": 175.639252266423, - "chi2": 34.7669401044823, - "chi3": -29.1146228260192, - "chi1": -26.4236399706221, - "chi4": 12.5878910460595, + "ome": 179.283296916231, + "chi2": 174.787007648347, + "chi3": 5.91113184184326, + "chi1": -161.687923942911, + "chi4": null, "chi5": null, - "a1": 122.258952389286, - "L4": 1.51774544831502, - "L5": 1.23156302253951, - "L2": 1.47324433190325, - "L3": 1.53869299127654, - "a7": 124.201770683542, - "L1": 1.32996359257479, + "a1": 121.738001193006, + "L4": 1.53506715225789, + "L5": 1.23433942057174, + "L2": 1.44279024473811, + "L3": 1.52238140170759, + "a7": 123.011416537625, + "L1": 1.3215455266224, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 5.80618839358255, - "ss": "T", - "a3": 112.437986934609, - "bs": 15.0, - "a2": 103.518788913746, - "a5": 119.334152148578, + "sidechain_GLU": 102, + "omep": null, + "ss": "H", + "a3": 107.017223890018, + "bs": 68.0, + "a2": 108.22599304136, + "a5": 121.058326616847, "sidechain_LEU": null, - "chainIndex": 555, + "chainIndex": 677, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.384979348217 + "a4": 111.468704329939 } }, { "pk": 1410, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.613163736364, - "psi": -34.2862262026579, - "oldID": "338", - "bg": 0.0, + "a6": 116.201556310608, + "psi": -50.5307060754688, + "oldID": "679", + "bg": 47.47, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 85, "protein": "1TWF", - "zeta": null, + "zeta": 34.151121730851, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1412, + "next": 1411, "sidechain_SER": null, - "bm": 162.0, + "bm": 51.0, "xpr": false, - "prev": 1408, + "prev": 1409, "terminal_flag": false, - "phi": -64.492820181458, + "phi": -69.5403058963492, "chainID": "A", "sidechain_GLN": null, - "ome": 179.441756821671, - "chi2": null, + "ome": 179.820131087285, + "chi2": 172.620722689789, "chi3": null, - "chi1": null, + "chi1": -80.5045287634168, "chi4": null, "chi5": null, - "a1": 120.842577318654, - "L4": 1.51567751787748, - "L5": 1.23033405168176, - "L2": 1.45183372350594, - "L3": null, - "a7": 123.207727755473, - "L1": 1.3317168721302, + "a1": 122.560550710571, + "L4": 1.53184469055083, + "L5": 1.23620857314745, + "L2": 1.46189715541236, + "L3": 1.56612270150292, + "a7": 123.038122392388, + "L1": 1.33215238058183, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.353761826488, - "bs": 0.0, - "a2": null, - "a5": 121.17898470636, + "ss": "H", + "a3": 111.297298636328, + "bs": 46.0, + "a2": 111.368737298918, + "a5": 120.755425663952, "sidechain_LEU": null, - "chainIndex": 337, + "chainIndex": 678, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.501297327471 } }, { "pk": 1411, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 83, - "a6": 117.607727098705, - "psi": 17.422340442221, - "oldID": "557", - "bg": 25.54, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.182218977223, + "psi": -35.7321311991566, + "oldID": "680", + "bg": 52.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9866063600987, + "protein": "1TWF", + "zeta": 34.469312302651, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 71, "sidechain_TRP": null, - "next": 1413, + "next": 1412, "sidechain_SER": null, - "bm": 20.0, + "bm": 53.0, "xpr": false, - "prev": 1409, + "prev": 1410, "terminal_flag": false, - "phi": 63.0915576074904, + "phi": -58.8730484367188, "chainID": "A", "sidechain_GLN": null, - "ome": 179.62552101076, - "chi2": -41.6665967143181, + "ome": 179.268987939847, + "chi2": null, "chi3": null, - "chi1": -59.4493341227193, + "chi1": -56.6567957023819, "chi4": null, "chi5": null, - "a1": 123.180810603883, - "L4": 1.52009636596702, - "L5": 1.2163716886818, - "L2": 1.46438123216898, - "L3": 1.53311843192658, - "a7": 122.208204081144, - "L1": 1.33103349585345, + "a1": 121.748076811043, + "L4": 1.52794082485472, + "L5": 1.23397557749005, + "L2": 1.45869032754978, + "L3": 1.53653810908277, + "a7": 123.08451894846, + "L1": 1.33055933146061, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.804558059901, - "bs": 25.0, - "a2": 110.318418171751, - "a5": 120.182159664414, + "ss": "H", + "a3": 112.33729342001, + "bs": 52.0, + "a2": 111.015361341552, + "a5": 120.728611699468, "sidechain_LEU": null, - "chainIndex": 556, + "chainIndex": 679, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.29314501676 + "a4": 108.790039629929 } }, { "pk": 1412, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "e", "sidechain_PRO": null, - "sidechain_ASN": 60, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.209603064306, - "psi": 2.34478946076495, - "oldID": "339", - "bg": 163.04, + "a6": 116.672619542427, + "psi": -36.8666017788976, + "oldID": "681", + "bg": 70.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6654990669893, + "zeta": 34.5391817171672, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1414, + "next": 1413, "sidechain_SER": null, - "bm": 163.0, + "bm": 56.0, "xpr": false, - "prev": 1410, + "prev": 1411, "terminal_flag": false, - "phi": -83.7452931450929, + "phi": -73.3481896292583, "chainID": "A", "sidechain_GLN": null, - "ome": 179.018708589754, - "chi2": -89.059625079415, - "chi3": null, - "chi1": -63.390159146398, + "ome": 179.151360692282, + "chi2": 176.525934108528, + "chi3": 14.2155774077515, + "chi1": -80.3284637248639, "chi4": null, "chi5": null, - "a1": 122.519176808623, - "L4": 1.53361798943664, - "L5": 1.23235027709144, - "L2": 1.45880569927609, - "L3": 1.53580043319083, - "a7": 122.991599290854, - "L1": 1.32960716377726, + "a1": 121.652665434818, + "L4": 1.5287311824565, + "L5": 1.23417455256756, + "L2": 1.45514061385783, + "L3": 1.53368948072084, + "a7": 122.646309501012, + "L1": 1.32900911885867, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 103, "omep": null, - "ss": "G", - "a3": 110.396037368991, - "bs": 163.0, - "a2": 109.493281189138, - "a5": 120.797234610756, + "ss": "H", + "a3": 109.376707140161, + "bs": 72.0, + "a2": 110.528684860184, + "a5": 120.679200916342, "sidechain_LEU": null, - "chainIndex": 338, + "chainIndex": 680, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.60753401449 + "a4": 110.071553086452 } }, { "pk": 1413, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.433149221043, - "psi": 137.206538599581, - "oldID": "558", - "bg": 19.94, + "a6": 115.559303839823, + "psi": -40.2818710957172, + "oldID": "682", + "bg": 53.89, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6967092189258, + "protein": "1TWF", + "zeta": 34.0290359636199, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 35, - "sidechain_THR": null, + "sidechain_MET": null, + "sidechain_THR": 72, "sidechain_TRP": null, - "next": 1415, + "next": 1414, "sidechain_SER": null, - "bm": 18.0, + "bm": 52.0, "xpr": false, - "prev": 1411, + "prev": 1412, "terminal_flag": false, - "phi": -98.2884818639795, + "phi": -60.0180465522535, "chainID": "A", "sidechain_GLN": null, - "ome": 173.167353949979, - "chi2": -53.2634412527118, - "chi3": -151.087797125496, - "chi1": -68.5997246191475, + "ome": 179.446863744923, + "chi2": null, + "chi3": null, + "chi1": -83.6603025726852, "chi4": null, "chi5": null, - "a1": 119.233021023373, - "L4": 1.52102606997588, - "L5": 1.22947323056913, - "L2": 1.44456490808906, - "L3": 1.51631805030796, - "a7": 122.780541944094, - "L1": 1.31955020319035, + "a1": 120.995460230637, + "L4": 1.51984451344052, + "L5": 1.2316637658899, + "L2": 1.46138129030076, + "L3": 1.5424100260789, + "a7": 123.295227107749, + "L1": 1.33217227248301, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.241078678462, - "bs": 20.0, - "a2": 110.449166972839, - "a5": 121.775846060214, + "ss": "H", + "a3": 109.397695637705, + "bs": 52.0, + "a2": 111.43259919714, + "a5": 121.144725795425, "sidechain_LEU": null, - "chainIndex": 557, + "chainIndex": 681, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.27695059203 + "a4": 110.015991516031 } }, { "pk": 1414, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.323210496626, - "psi": 12.0755055529874, - "oldID": "340", - "bg": 161.96, + "a6": 116.205621495998, + "psi": -41.9851204507686, + "oldID": "683", + "bg": 46.69, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 86, "protein": "1TWF", - "zeta": 34.8604087488247, + "zeta": 34.6058430515133, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1416, + "next": 1415, "sidechain_SER": null, - "bm": 161.0, + "bm": 50.0, "xpr": false, - "prev": 1412, + "prev": 1413, "terminal_flag": false, - "phi": -104.329963070711, + "phi": -71.4706312751663, "chainID": "A", "sidechain_GLN": null, - "ome": -179.697691441209, - "chi2": -179.77947501694, + "ome": 179.614205281752, + "chi2": 168.037057284392, "chi3": null, - "chi1": -70.9629189380342, + "chi1": -73.9441330890185, "chi4": null, "chi5": null, - "a1": 122.733429323373, - "L4": 1.52632733253701, - "L5": 1.23389337266957, - "L2": 1.46552873953724, - "L3": 1.5370270161679, - "a7": 123.511023130074, - "L1": 1.33312085416004, + "a1": 121.743269308612, + "L4": 1.5310774925592, + "L5": 1.23525540044504, + "L2": 1.45664122668491, + "L3": 1.53861587301793, + "a7": 122.943156374493, + "L1": 1.32438713502019, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 108.805322379765, - "bs": 161.0, - "a2": 110.819811562376, - "a5": 121.165074356254, - "sidechain_LEU": 115, - "chainIndex": 339, + "ss": "H", + "a3": 111.165721203572, + "bs": 47.0, + "a2": 110.756618324906, + "a5": 120.851029217408, + "sidechain_LEU": null, + "chainIndex": 682, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.443698841936 + "a4": 109.24611707367 } }, { "pk": 1415, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 84, - "a6": 118.009319011685, - "psi": 103.493879179542, - "oldID": "559", - "bg": 22.72, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 115.780695896028, + "psi": -33.6499962488977, + "oldID": "684", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9590783550303, + "protein": "1TWF", + "zeta": 34.6865062386793, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1418, + "next": 1416, "sidechain_SER": null, - "bm": 18.0, + "bm": 50.0, "xpr": false, - "prev": 1413, + "prev": 1414, "terminal_flag": false, - "phi": -103.865649505362, + "phi": -62.429265809301, "chainID": "A", "sidechain_GLN": null, - "ome": -175.764592075029, - "chi2": -6.93278797243371, + "ome": 179.573099623772, + "chi2": null, "chi3": null, - "chi1": -178.219298022176, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.279112369403, - "L4": 1.52172316760726, - "L5": 1.21474127753481, - "L2": 1.45352903220058, - "L3": 1.49874038985441, - "a7": 121.525198407619, - "L1": 1.31664448271165, + "a1": 121.444515698901, + "L4": 1.51962052521399, + "L5": 1.22947248659269, + "L2": 1.45288861963664, + "L3": 1.51782955181754, + "a7": 123.19256191643, + "L1": 1.32840360185057, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.777470610462, - "bs": 23.0, - "a2": 109.997045393756, - "a5": 120.464998461149, + "ss": "H", + "a3": 109.032779667084, + "bs": 49.0, + "a2": 110.110870279774, + "a5": 121.026729476788, "sidechain_LEU": null, - "chainIndex": 558, + "chainIndex": 683, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.439341255155 + "a4": 110.243325892646 } }, { "pk": 1416, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.242053282517, - "psi": 4.19434183989141, - "oldID": "341", - "bg": 159.32, + "a6": 116.302000911546, + "psi": -38.627261176882, + "oldID": "685", + "bg": 63.98, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6541145958074, + "zeta": 35.2078051093645, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 36, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, "next": 1417, "sidechain_SER": null, - "bm": 157.0, + "bm": 54.0, "xpr": false, - "prev": 1414, + "prev": 1415, "terminal_flag": false, - "phi": -139.563095409076, + "phi": -64.4596279616467, "chainID": "A", "sidechain_GLN": null, - "ome": 179.609101457001, - "chi2": -179.621861963084, - "chi3": -99.1570423431287, - "chi1": -58.4877547683507, + "ome": -179.322637177182, + "chi2": -166.543484534251, + "chi3": 63.2617377855714, + "chi1": -173.382243092671, "chi4": null, "chi5": null, - "a1": 122.720389828666, - "L4": 1.53277572004597, - "L5": 1.23217070105999, - "L2": 1.45836519960844, - "L3": 1.53539417850812, - "a7": 122.965354937732, - "L1": 1.33087734706857, + "a1": 121.399385342022, + "L4": 1.52229353815769, + "L5": 1.22875899721869, + "L2": 1.44592370914955, + "L3": 1.52445632735865, + "a7": 123.272476843975, + "L1": 1.32661263124108, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 104, "omep": null, - "ss": "T", - "a3": 110.660974288191, - "bs": 159.0, - "a2": 109.820438659825, - "a5": 120.792588702523, + "ss": "H", + "a3": 109.811766885761, + "bs": 66.0, + "a2": 110.049069503903, + "a5": 120.425238243114, "sidechain_LEU": null, - "chainIndex": 340, + "chainIndex": 684, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.219102608358 + "a4": 109.434055036896 } }, { "pk": 1417, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.399187861525, - "psi": 36.2765170808776, - "oldID": "342", + "a6": 116.513966153556, + "psi": -36.1281009726515, + "oldID": "686", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.3851546650583, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1419, + "next": 1418, "sidechain_SER": null, - "bm": 151.0, + "bm": 50.0, "xpr": false, "prev": 1416, "terminal_flag": false, - "phi": 71.2495714676193, + "phi": -70.886773079285, "chainID": "A", "sidechain_GLN": null, - "ome": 179.582680209531, + "ome": 179.387186569774, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.070882529814, - "L4": 1.51761459021563, - "L5": 1.23386633937154, - "L2": 1.45380725218023, - "L3": null, - "a7": 123.09671706266, - "L1": 1.33035644082558, + "a1": 121.786044124476, + "L4": 1.5189091818762, + "L5": 1.2250443903004, + "L2": 1.46032537884662, + "L3": 1.51537907559908, + "a7": 122.563880070793, + "L1": 1.33145148778328, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.233234217342, - "bs": 0.0, - "a2": null, - "a5": 120.504088676125, + "ss": "H", + "a3": 110.620366681506, + "bs": 50.0, + "a2": 110.450181825608, + "a5": 120.91515947783, "sidechain_LEU": null, - "chainIndex": 341, + "chainIndex": 685, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.806926298799 } }, { "pk": 1418, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 72, + "aa": "k", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.995772369152, - "psi": -31.2696440271006, - "oldID": "560", - "bg": 18.24, + "a6": 117.454772923693, + "psi": -17.4923715428858, + "oldID": "687", + "bg": 55.74, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.1582743409488, + "protein": "1TWF", + "zeta": 33.8855091853272, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 83, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1420, + "next": 1419, "sidechain_SER": null, - "bm": 17.0, + "bm": 49.0, "xpr": false, - "prev": 1415, + "prev": 1417, "terminal_flag": false, - "phi": -54.3859508735607, + "phi": -69.6973790454966, "chainID": "A", "sidechain_GLN": null, - "ome": -179.523265134361, - "chi2": 40.8310006294361, - "chi3": -37.416076595238, - "chi1": -27.1539227314754, - "chi4": 21.3784711839308, + "ome": 178.585509352854, + "chi2": -173.740601006652, + "chi3": 177.218428907057, + "chi1": -74.0379187220187, + "chi4": -177.140511157039, "chi5": null, - "a1": 119.239929733485, - "L4": 1.53814715260427, - "L5": 1.22588047532987, - "L2": 1.46641054453739, - "L3": 1.52822635514594, - "a7": 121.817818172301, - "L1": 1.3225810018806, + "a1": 119.736878909998, + "L4": 1.5249162761003, + "L5": 1.22091756952307, + "L2": 1.44264138777157, + "L3": 1.52316008002054, + "a7": 122.268099053179, + "L1": 1.32382309912998, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 4.20492847648871, - "ss": "G", - "a3": 113.849880738583, - "bs": 18.0, - "a2": 103.151454716364, - "a5": 119.165592026866, + "omep": null, + "ss": "H", + "a3": 110.405655684066, + "bs": 57.0, + "a2": 110.490622445582, + "a5": 120.276418816008, "sidechain_LEU": null, - "chainIndex": 559, + "chainIndex": 686, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.276752724459 + "a4": 110.726631763024 } }, { @@ -149336,56 +137232,56 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.042161988197, - "psi": -47.7412867774175, - "oldID": "343", - "bg": 144.92, + "a6": 116.265362811201, + "psi": -41.5518348425424, + "oldID": "688", + "bg": 57.96, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8155500986369, + "zeta": 34.6497200453374, "sidechain_PHE": null, - "sidechain_LYS": 94, + "sidechain_LYS": 84, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1421, + "next": 1420, "sidechain_SER": null, - "bm": 142.0, + "bm": 50.0, "xpr": false, - "prev": 1417, + "prev": 1418, "terminal_flag": false, - "phi": -74.7250756894932, + "phi": -79.9078064609553, "chainID": "A", "sidechain_GLN": null, - "ome": -179.701450936658, - "chi2": -178.029986754661, - "chi3": -177.43536532203, - "chi1": -66.1997879102506, - "chi4": 177.797075542638, + "ome": 179.425963492498, + "chi2": 172.244216202479, + "chi3": -174.129019995926, + "chi1": -65.0800065032686, + "chi4": 163.279932881766, "chi5": null, - "a1": 121.989484812087, - "L4": 1.52195555715992, - "L5": 1.23285733731834, - "L2": 1.46111995267836, - "L3": 1.53362765480661, - "a7": 123.021820486283, - "L1": 1.33121453096182, + "a1": 120.059322994583, + "L4": 1.51624259562336, + "L5": 1.22989016634447, + "L2": 1.45687841819215, + "L3": 1.52226378204682, + "a7": 123.16644974594, + "L1": 1.33183120758114, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.436150008231, - "bs": 144.0, - "a2": 110.654005614571, - "a5": 120.935839923563, + "ss": "H", + "a3": 107.690250034224, + "bs": 59.0, + "a2": 111.647106330813, + "a5": 120.566604835827, "sidechain_LEU": null, - "chainIndex": 342, + "chainIndex": 687, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.230802378059 + "a4": 109.15597782286 } }, { @@ -149395,363 +137291,363 @@ "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.265772754974, - "psi": -25.1028720181452, - "oldID": "561", - "bg": 20.31, + "a6": 116.020654931066, + "psi": -42.3796294342017, + "oldID": "689", + "bg": 52.23, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2419072291998, + "protein": "1TWF", + "zeta": 35.2437158802368, "sidechain_PHE": null, - "sidechain_LYS": 95, + "sidechain_LYS": 85, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1422, + "next": 1421, "sidechain_SER": null, - "bm": 17.0, + "bm": 47.0, "xpr": false, - "prev": 1418, + "prev": 1419, "terminal_flag": false, - "phi": -64.3366217865461, + "phi": -60.8479173619243, "chainID": "A", "sidechain_GLN": null, - "ome": -177.281372760566, - "chi2": 123.390803308186, - "chi3": 75.8928213051255, - "chi1": -57.547922420807, - "chi4": 178.463453776449, + "ome": -179.614434856125, + "chi2": -170.828085187982, + "chi3": -175.932083378456, + "chi1": -68.1080434707046, + "chi4": 161.814279938576, "chi5": null, - "a1": 118.546130296736, - "L4": 1.53145705322623, - "L5": 1.22993466501814, - "L2": 1.45653082055265, - "L3": 1.53382808079908, - "a7": 121.400842293886, - "L1": 1.32775838856274, + "a1": 121.249594306409, + "L4": 1.51470564898596, + "L5": 1.23367247558465, + "L2": 1.45619984400391, + "L3": 1.52436655766455, + "a7": 123.343326873588, + "L1": 1.33063745504185, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.911434712893, - "bs": 21.0, - "a2": 109.729527381294, - "a5": 121.329973795613, + "ss": "H", + "a3": 111.299869216516, + "bs": 53.0, + "a2": 111.147394307825, + "a5": 120.624132646899, "sidechain_LEU": null, - "chainIndex": 560, + "chainIndex": 688, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.107470488541 + "a4": 107.820101458304 } }, { "pk": 1421, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.079135266171, - "psi": 71.0909280912325, - "oldID": "344", - "bg": 134.85, + "a6": 115.624380601971, + "psi": -38.4716735310667, + "oldID": "690", + "bg": 43.73, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.428153597416, + "zeta": 34.8602561855686, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 107, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1423, + "next": 1422, "sidechain_SER": null, - "bm": 130.0, + "bm": 43.0, "xpr": false, - "prev": 1419, + "prev": 1420, "terminal_flag": false, - "phi": -87.9044623654532, + "phi": -65.8180345076535, "chainID": "A", "sidechain_GLN": null, - "ome": -179.886502758396, - "chi2": -163.365548723778, - "chi3": -179.264585046379, - "chi1": -47.3916286472502, - "chi4": -163.671773000186, - "chi5": 0.0530765876345417, - "a1": 121.320041375954, - "L4": 1.53441931183127, - "L5": 1.2339705338913, - "L2": 1.45792688416345, - "L3": 1.53562884819762, - "a7": 123.203525534983, - "L1": 1.32963329217753, - "sidechain_ARG": 69, + "ome": 179.483019138667, + "chi2": null, + "chi3": null, + "chi1": 171.48176051184, + "chi4": null, + "chi5": null, + "a1": 121.684775991269, + "L4": 1.51197243551888, + "L5": 1.2266405478357, + "L2": 1.45845369396229, + "L3": 1.55443324012662, + "a7": 123.477575808874, + "L1": 1.32974667938916, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 111.147175801944, - "bs": 137.0, - "a2": 109.805640255119, - "a5": 120.717267513142, + "ss": "H", + "a3": 108.948052039342, + "bs": 43.0, + "a2": 111.823297094871, + "a5": 120.896167040873, "sidechain_LEU": null, - "chainIndex": 343, + "chainIndex": 689, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.406342495674 + "a4": 108.736376719551 } }, { "pk": 1422, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.42081116447, - "psi": 2.99700650189344, - "oldID": "562", - "bg": 22.07, + "a6": 117.372952607124, + "psi": -33.7369037571765, + "oldID": "691", + "bg": 47.08, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7514505584664, + "protein": "1TWF", + "zeta": 33.6582129775184, "sidechain_PHE": null, - "sidechain_LYS": 96, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1424, + "next": 1423, "sidechain_SER": null, - "bm": 18.0, + "bm": 45.0, "xpr": false, - "prev": 1420, + "prev": 1421, "terminal_flag": false, - "phi": -94.6090030182175, + "phi": -63.7991280529513, "chainID": "A", "sidechain_GLN": null, - "ome": -179.016098362804, - "chi2": -170.249950861868, - "chi3": -77.8425473641606, - "chi1": -58.7601058251104, - "chi4": -93.5482865976329, + "ome": -179.952963013186, + "chi2": 54.0288877807729, + "chi3": null, + "chi1": -176.837662658857, + "chi4": null, "chi5": null, - "a1": 119.156317333448, - "L4": 1.5248909191031, - "L5": 1.2414287404183, - "L2": 1.448692898724, - "L3": 1.52611571989376, - "a7": 122.647334956395, - "L1": 1.32032629560509, + "a1": 120.632923854961, + "L4": 1.5308178922974, + "L5": 1.23306255402532, + "L2": 1.44586295864909, + "L3": 1.52680671354514, + "a7": 122.759702992002, + "L1": 1.32665833641496, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.691780975463, - "bs": 24.0, - "a2": 109.127063084895, - "a5": 120.922401744755, - "sidechain_LEU": null, - "chainIndex": 561, + "ss": "H", + "a3": 111.377868146568, + "bs": 45.0, + "a2": 110.117195928834, + "a5": 119.852434650268, + "sidechain_LEU": 121, + "chainIndex": 690, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.495686148882 + "a4": 111.098077874951 } }, { "pk": 1423, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.232174928309, - "psi": 106.162869000117, - "oldID": "345", - "bg": 112.69, + "sidechain_ASP": 92, + "a6": 116.270208051247, + "psi": -34.0159525904198, + "oldID": "692", + "bg": 54.58, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.381396817975, + "zeta": 34.0533150751677, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 94, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1425, + "next": 1424, "sidechain_SER": null, - "bm": 110.0, + "bm": 48.0, "xpr": false, - "prev": 1421, + "prev": 1422, "terminal_flag": false, - "phi": -81.3815519557588, + "phi": -75.1303887663412, "chainID": "A", "sidechain_GLN": null, - "ome": -179.6463189619, - "chi2": null, + "ome": 179.200000920463, + "chi2": -37.9542352335415, "chi3": null, - "chi1": -71.5536133822073, + "chi1": -62.0437508743913, "chi4": null, "chi5": null, - "a1": 122.842963314332, - "L4": 1.52985021010236, - "L5": 1.23299136629665, - "L2": 1.46734748828334, - "L3": 1.56008358196702, - "a7": 122.677804829987, - "L1": 1.33522538989073, + "a1": 121.285335032912, + "L4": 1.52286275489477, + "L5": 1.23139326856302, + "L2": 1.46456224349768, + "L3": 1.5323055232904, + "a7": 122.754193453034, + "L1": 1.3353303562849, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.414331380214, - "bs": 112.0, - "a2": 111.338011774658, - "a5": 121.089966853965, + "ss": "H", + "a3": 112.376366240679, + "bs": 54.0, + "a2": 111.063320029211, + "a5": 120.96978202857, "sidechain_LEU": null, - "chainIndex": 344, + "chainIndex": 691, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.75744518905 + "a4": 109.25054501945 } }, { "pk": 1424, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.113246576936, - "psi": 118.371570756342, - "oldID": "563", - "bg": 13.32, + "a6": 116.357125745429, + "psi": -34.4132756856093, + "oldID": "693", + "bg": 49.33, "sidechain_CYS": null, - "sidechain_ILE": 77, - "protein": "1H0H", - "zeta": 32.3151286358172, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.5942654208938, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 108, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1426, + "next": 1425, "sidechain_SER": null, - "bm": 15.0, + "bm": 46.0, "xpr": false, - "prev": 1422, + "prev": 1423, "terminal_flag": false, - "phi": -106.628319370989, + "phi": -71.2289179462151, "chainID": "A", "sidechain_GLN": null, - "ome": -171.636876479387, - "chi2": 174.873238096744, + "ome": 179.853907921865, + "chi2": null, "chi3": null, - "chi1": -55.6396605782141, + "chi1": -175.310351046716, "chi4": null, "chi5": null, - "a1": 120.600173547736, - "L4": 1.52457375913203, - "L5": 1.22713936862785, - "L2": 1.45939669976953, - "L3": 1.52810522936539, - "a7": 122.499589507514, - "L1": 1.33459025132182, + "a1": 120.698513284014, + "L4": 1.52850326033049, + "L5": 1.23431001114812, + "L2": 1.45013471472873, + "L3": 1.53013010171919, + "a7": 123.081221394461, + "L1": 1.32585613524597, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.286953077263, - "bs": 13.0, - "a2": 111.849106926681, - "a5": 121.387048701332, + "ss": "H", + "a3": 108.543759297288, + "bs": 48.0, + "a2": 110.803129901688, + "a5": 120.551430062573, "sidechain_LEU": null, - "chainIndex": 562, + "chainIndex": 692, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.578007241765 + "a4": 109.940012682959 } }, { "pk": 1425, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 85, - "a6": 115.548026193483, - "psi": 133.86996807515, - "oldID": "346", - "bg": 90.15, + "sidechain_ASP": null, + "a6": 116.598880669573, + "psi": -46.1228427057137, + "oldID": "694", + "bg": 37.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3180937624521, + "zeta": 34.5941839887928, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 73, "sidechain_TRP": null, - "next": 1427, + "next": 1426, "sidechain_SER": null, - "bm": 85.0, + "bm": 42.0, "xpr": false, - "prev": 1423, + "prev": 1424, "terminal_flag": false, - "phi": -121.671203790496, + "phi": -65.8555595594809, "chainID": "A", "sidechain_GLN": null, - "ome": 179.816350054158, - "chi2": -44.3990010837342, + "ome": 179.365862806883, + "chi2": null, "chi3": null, - "chi1": 64.8448812796139, + "chi1": -67.9334352543873, "chi4": null, "chi5": null, - "a1": 121.003080012276, - "L4": 1.51762307647737, - "L5": 1.23282319567778, - "L2": 1.45566410730565, - "L3": 1.53720092399984, - "a7": 123.566737191377, - "L1": 1.3288595990087, + "a1": 121.661000397757, + "L4": 1.52792250675031, + "L5": 1.22604194473041, + "L2": 1.45497295158353, + "L3": 1.55561284209559, + "a7": 122.816723790587, + "L1": 1.33121988917184, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.056566158827, - "bs": 90.0, - "a2": 110.254428545336, - "a5": 120.880309104656, + "ss": "H", + "a3": 109.316371946258, + "bs": 37.0, + "a2": 111.943593478456, + "a5": 120.584363909519, "sidechain_LEU": null, - "chainIndex": 345, + "chainIndex": 693, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.573810489837 + "a4": 108.837810787394 } }, { @@ -149761,199 +137657,199 @@ "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.223924873059, - "psi": -7.74194441063583, - "oldID": "564", - "bg": 19.77, + "a6": 115.227630248268, + "psi": -42.9041983265262, + "oldID": "695", + "bg": 53.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.1909849960264, + "protein": "1TWF", + "zeta": 34.8284360336981, "sidechain_PHE": null, - "sidechain_LYS": 97, + "sidechain_LYS": 86, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1428, + "next": 1427, "sidechain_SER": null, - "bm": 14.0, + "bm": 48.0, "xpr": false, - "prev": 1424, + "prev": 1425, "terminal_flag": false, - "phi": -85.8604778661334, + "phi": -62.3092843748244, "chainID": "A", "sidechain_GLN": null, - "ome": -167.023083470654, - "chi2": -169.905898147859, - "chi3": 165.4591202477, - "chi1": 77.9990111618832, - "chi4": -162.703727027716, + "ome": 179.5797252061, + "chi2": 178.656699447776, + "chi3": -175.797450199329, + "chi1": -74.4747349812223, + "chi4": 176.271117175084, "chi5": null, - "a1": 120.570028258704, - "L4": 1.52429910747835, - "L5": 1.215558343289, - "L2": 1.45782761900534, - "L3": 1.53281256698445, - "a7": 122.324234900822, - "L1": 1.32120071366319, + "a1": 120.959292066784, + "L4": 1.51719964534462, + "L5": 1.23755651053312, + "L2": 1.45242794610268, + "L3": 1.520311476676, + "a7": 123.594777797974, + "L1": 1.32888697007552, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 114.048595842012, - "bs": 22.0, - "a2": 108.562690075602, - "a5": 120.449082055615, + "ss": "H", + "a3": 108.499711276827, + "bs": 57.0, + "a2": 110.215528541647, + "a5": 121.161383713843, "sidechain_LEU": null, - "chainIndex": 563, + "chainIndex": 694, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.014618989467 + "a4": 110.121549029584 } }, { "pk": 1427, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.990238900777, - "psi": 48.3979243153991, - "oldID": "347", - "bg": 54.88, + "a6": 117.284167606411, + "psi": -46.3862946694279, + "oldID": "696", + "bg": 56.64, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.7929017002083, - "sidechain_PHE": 55, + "zeta": 34.8312581031953, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1429, + "next": 1428, "sidechain_SER": null, - "bm": 57.0, + "bm": 48.0, "xpr": false, - "prev": 1425, + "prev": 1426, "terminal_flag": false, - "phi": 75.7885228954444, + "phi": -60.1562904678271, "chainID": "A", "sidechain_GLN": null, - "ome": 178.826118376167, - "chi2": -49.4738998792574, - "chi3": null, - "chi1": -59.0436075684707, + "ome": 179.948218144075, + "chi2": -177.81009590293, + "chi3": -47.8411956553529, + "chi1": -158.87818807825, "chi4": null, "chi5": null, - "a1": 122.817299602505, - "L4": 1.5231364082803, - "L5": 1.2341179866811, - "L2": 1.45393582236585, - "L3": 1.53039346248918, - "a7": 123.349912802068, - "L1": 1.32817695386687, + "a1": 121.493595364828, + "L4": 1.52997139543087, + "L5": 1.22645848932882, + "L2": 1.44187998943976, + "L3": 1.52923992728241, + "a7": 122.193846595336, + "L1": 1.32579610596968, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 105, "omep": null, - "ss": "S", - "a3": 113.66328015856, - "bs": 53.0, - "a2": 109.998209235341, - "a5": 120.658942078173, + "ss": "H", + "a3": 108.931431654999, + "bs": 59.0, + "a2": 109.776432493442, + "a5": 120.508209457033, "sidechain_LEU": null, - "chainIndex": 346, + "chainIndex": 695, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.286237753151 + "a4": 110.556081775977 } }, { "pk": 1428, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.390703395257, - "psi": 126.167966096386, - "oldID": "565", - "bg": 13.29, + "a6": 116.776883859163, + "psi": -38.6934256656397, + "oldID": "697", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9116721351124, + "protein": "1TWF", + "zeta": 34.0458573834322, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 72, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1431, + "next": 1429, "sidechain_SER": null, - "bm": 14.0, + "bm": 48.0, "xpr": false, - "prev": 1426, + "prev": 1427, "terminal_flag": false, - "phi": -68.2930701490207, + "phi": -67.1084813138512, "chainID": "A", "sidechain_GLN": null, - "ome": 172.646781168605, + "ome": -179.851681789451, "chi2": null, "chi3": null, - "chi1": -50.6078653102498, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.972823189164, - "L4": 1.51762064906882, - "L5": 1.22413116272099, - "L2": 1.45302105554196, - "L3": 1.53556288319257, - "a7": 122.640578639626, - "L1": 1.32878108952476, + "a1": 120.747310117198, + "L4": 1.52843778326067, + "L5": 1.23180979003002, + "L2": 1.45864262420392, + "L3": 1.53364326500419, + "a7": 122.895440673557, + "L1": 1.32839286543345, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 116.053771248365, - "bs": 13.0, - "a2": 107.690260416362, - "a5": 120.968078321568, + "ss": "H", + "a3": 112.781587109261, + "bs": 49.0, + "a2": 110.132139034684, + "a5": 120.327674332272, "sidechain_LEU": null, - "chainIndex": 564, + "chainIndex": 696, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.413526512056 + "a4": 110.090612090327 } }, { "pk": 1429, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.884794050885, - "psi": 139.908729562832, - "oldID": "348", - "bg": 43.68, + "a6": 116.628079180761, + "psi": -18.6196119889989, + "oldID": "698", + "bg": 50.24, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2676617002986, + "zeta": 34.3039909144928, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -149961,41 +137857,41 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": 1430, - "sidechain_SER": 72, - "bm": 40.0, + "sidechain_SER": null, + "bm": 51.0, "xpr": false, - "prev": 1427, + "prev": 1428, "terminal_flag": false, - "phi": -159.561939334972, + "phi": -70.912395009898, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.947406673703, - "chi2": null, - "chi3": null, - "chi1": 45.4667814034635, + "sidechain_GLN": 61, + "ome": 179.446902882972, + "chi2": 178.578768727179, + "chi3": -39.9808732099697, + "chi1": -55.7849994161762, "chi4": null, "chi5": null, - "a1": 122.393965467202, - "L4": 1.51553739793065, - "L5": 1.22218798398894, - "L2": 1.45739631913916, - "L3": 1.52721954898314, - "a7": 123.704516383175, - "L1": 1.33041084394003, + "a1": 121.283335931632, + "L4": 1.52915277056698, + "L5": 1.23481036657162, + "L2": 1.46038128192531, + "L3": 1.52781215885314, + "a7": 122.584256267905, + "L1": 1.33163132261734, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.689400012714, - "bs": 41.0, - "a2": 110.948614579056, - "a5": 120.409020266454, + "ss": "H", + "a3": 111.437186535514, + "bs": 50.0, + "a2": 110.786134069739, + "a5": 120.787626707474, "sidechain_LEU": null, - "chainIndex": 347, + "chainIndex": 697, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.317571178068 + "a4": 109.421597064874 } }, { @@ -150007,239 +137903,239 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.901250679483, - "psi": 161.03101059094, - "oldID": "349", + "a6": 115.210104607204, + "psi": -16.6294233779064, + "oldID": "699", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5225336034465, + "zeta": 34.5935714821227, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1432, + "next": 1431, "sidechain_SER": null, - "bm": 27.0, + "bm": 53.0, "xpr": false, "prev": 1429, "terminal_flag": false, - "phi": -124.616263837945, + "phi": -93.0895915338751, "chainID": "A", "sidechain_GLN": null, - "ome": -179.340060510842, + "ome": -179.770932772118, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 123.063490973655, - "L4": 1.51982050182065, - "L5": 1.23219181361701, - "L2": 1.45123341016135, - "L3": 1.51533471006295, - "a7": 123.836610897309, - "L1": 1.32961210791907, + "a1": 120.390707849235, + "L4": 1.52084031443066, + "L5": 1.23405851959733, + "L2": 1.45165977315152, + "L3": 1.52233116917989, + "a7": 123.730467867253, + "L1": 1.32837561428054, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.969546777599, - "bs": 29.0, - "a2": 110.054568849763, - "a5": 121.257615659003, + "ss": "H", + "a3": 108.921360590789, + "bs": 53.0, + "a2": 110.253114363213, + "a5": 121.059160512726, "sidechain_LEU": null, - "chainIndex": 348, + "chainIndex": 698, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.254272362934 + "a4": 110.328665283966 } }, { "pk": 1431, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 54, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.848376905714, - "psi": 125.066409501156, - "oldID": "566", - "bg": 22.1, + "a6": 116.088494911207, + "psi": 35.9416820599018, + "oldID": "700", + "bg": 54.12, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.4630229174657, + "protein": "1TWF", + "zeta": 33.9468117985596, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1433, + "next": 1432, "sidechain_SER": null, - "bm": 17.0, + "bm": 56.0, "xpr": false, - "prev": 1428, + "prev": 1430, "terminal_flag": false, - "phi": -80.0213221195739, + "phi": 75.8756313263844, "chainID": "A", "sidechain_GLN": null, - "ome": 179.656629812684, - "chi2": 178.126030110872, - "chi3": -7.47331184502098, - "chi1": -134.306106483442, - "chi4": null, - "chi5": null, - "a1": 120.810404017959, - "L4": 1.53587572041254, - "L5": 1.21590266474251, - "L2": 1.45591848718622, - "L3": 1.511941381968, - "a7": 121.280111844284, - "L1": 1.32670600114398, + "ome": 179.565457149395, + "chi2": 14.22387583244, + "chi3": null, + "chi1": -168.66913634798, + "chi4": null, + "chi5": null, + "a1": 122.835437027479, + "L4": 1.52841401089059, + "L5": 1.22667846357041, + "L2": 1.4578661615534, + "L3": 1.53229455520956, + "a7": 123.0462136487, + "L1": 1.32805571110744, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 109, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.561809056565, - "bs": 21.0, - "a2": 107.995121970322, - "a5": 119.86469801779, + "ss": "T", + "a3": 110.825530453598, + "bs": 54.0, + "a2": 110.27690128943, + "a5": 120.865254037555, "sidechain_LEU": null, - "chainIndex": 565, + "chainIndex": 699, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.851725786266 + "a4": 110.709626735523 } }, { "pk": 1432, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.040575291442, - "psi": 142.221521991093, - "oldID": "350", - "bg": 26.64, + "a6": 114.749703999591, + "psi": -21.0613300061904, + "oldID": "701", + "bg": 62.5, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3925791764995, + "zeta": 35.3111143867294, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1434, + "next": 1433, "sidechain_SER": null, - "bm": 26.0, + "bm": 62.0, "xpr": false, - "prev": 1430, + "prev": 1431, "terminal_flag": false, - "phi": -139.567880675397, + "phi": -99.0337721129161, "chainID": "A", "sidechain_GLN": null, - "ome": 177.576516474058, - "chi2": -171.23072777845, - "chi3": -163.768215248494, - "chi1": 158.103243409652, - "chi4": 78.3864050701222, - "chi5": 0.393765684566085, - "a1": 122.758659819067, - "L4": 1.52748152372398, - "L5": 1.21633613538422, - "L2": 1.45337590889037, - "L3": 1.5249794145254, - "a7": 122.168837023699, - "L1": 1.32875296101386, - "sidechain_ARG": 70, + "ome": -179.269040814924, + "chi2": 176.176614886796, + "chi3": null, + "chi1": -83.091328662014, + "chi4": null, + "chi5": null, + "a1": 122.391160144636, + "L4": 1.51760622907772, + "L5": 1.23221415306602, + "L2": 1.46089336347339, + "L3": 1.52834996855089, + "a7": 123.69584634329, + "L1": 1.33062606087218, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.995906842793, - "bs": 28.0, - "a2": 108.466758602225, - "a5": 119.76954448424, - "sidechain_LEU": null, - "chainIndex": 349, + "ss": "-", + "a3": 110.054906217709, + "bs": 61.0, + "a2": 110.486870112798, + "a5": 121.55415916074, + "sidechain_LEU": 122, + "chainIndex": 700, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.081967343146 + "a4": 108.745062401008 } }, { "pk": 1433, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.952400938808, - "psi": 129.774562329018, - "oldID": "567", - "bg": 15.67, + "a6": 116.879371572233, + "psi": 133.584291956089, + "oldID": "702", + "bg": 72.57, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9119640230574, + "protein": "1TWF", + "zeta": 35.4614706620746, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 95, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1435, + "next": 1434, "sidechain_SER": null, - "bm": 16.0, + "bm": 68.0, "xpr": false, - "prev": 1431, + "prev": 1432, "terminal_flag": false, - "phi": -117.124353894379, + "phi": -75.7909557360225, "chainID": "A", "sidechain_GLN": null, - "ome": 176.960319352601, - "chi2": null, + "ome": -179.269000890696, + "chi2": 65.9482434780111, "chi3": null, - "chi1": -171.338290663873, + "chi1": 152.593450008739, "chi4": null, "chi5": null, - "a1": 119.375985156792, - "L4": 1.5188002187996, - "L5": 1.21629920823296, - "L2": 1.45926945498295, - "L3": 1.5480636916656, - "a7": 123.759693885451, - "L1": 1.32774509664408, + "a1": 123.485731246985, + "L4": 1.52742478378058, + "L5": 1.22642108336341, + "L2": 1.44894984761639, + "L3": 1.52215874051884, + "a7": 122.640008035974, + "L1": 1.32346879780568, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.40443713674, - "bs": 16.0, - "a2": 112.610380113281, - "a5": 120.268225474328, - "sidechain_LEU": null, - "chainIndex": 566, + "ss": "-", + "a3": 110.796146694372, + "bs": 72.0, + "a2": 106.768369427823, + "a5": 120.473654579149, + "sidechain_LEU": 123, + "chainIndex": 701, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.445909614162 + "a4": 111.996837795118 } }, { @@ -150251,849 +138147,849 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.474541563468, - "psi": -177.205098062333, - "oldID": "351", - "bg": 32.83, + "a6": 116.234410240628, + "psi": 135.407741265402, + "oldID": "703", + "bg": 71.59, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.625731237067, + "zeta": 34.6093518721032, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 73, + "sidechain_THR": 74, "sidechain_TRP": null, - "next": 1436, + "next": 1435, "sidechain_SER": null, - "bm": 28.0, + "bm": 71.0, "xpr": false, - "prev": 1432, + "prev": 1433, "terminal_flag": false, - "phi": -164.264968224392, + "phi": -112.355059977626, "chainID": "A", "sidechain_GLN": null, - "ome": 178.592965811633, + "ome": -179.346504970635, "chi2": null, "chi3": null, - "chi1": -47.8965563414949, + "chi1": -58.2224573891103, "chi4": null, "chi5": null, - "a1": 121.052846121535, - "L4": 1.5281126470789, - "L5": 1.22541259065947, - "L2": 1.46873558551787, - "L3": 1.55211960054623, - "a7": 123.220692882879, - "L1": 1.33161728120019, + "a1": 121.463163736999, + "L4": 1.52836874774273, + "L5": 1.23019025757585, + "L2": 1.46381399018319, + "L3": 1.54992734729608, + "a7": 122.631036527911, + "L1": 1.33166860900385, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.718247596155, - "bs": 29.0, - "a2": 113.682594685331, - "a5": 121.304488653918, + "ss": "-", + "a3": 112.337045590596, + "bs": 71.0, + "a2": 111.141794077512, + "a5": 121.132020879773, "sidechain_LEU": null, - "chainIndex": 350, + "chainIndex": 702, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.121040883432 + "a4": 108.584063975829 } }, { "pk": 1435, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.893420246978, - "psi": 109.642782287213, - "oldID": "568", - "bg": 16.98, + "a6": 116.648227380331, + "psi": 146.602508409501, + "oldID": "704", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7172301330056, - "sidechain_PHE": 56, + "protein": "1TWF", + "zeta": 34.4862819864681, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1437, + "next": 1436, "sidechain_SER": null, - "bm": 15.0, + "bm": 76.0, "xpr": false, - "prev": 1433, + "prev": 1434, "terminal_flag": false, - "phi": -110.547189207694, + "phi": -82.0156348281003, "chainID": "A", "sidechain_GLN": null, - "ome": 178.62883882209, - "chi2": 90.5037455793035, + "ome": 179.254269912528, + "chi2": null, "chi3": null, - "chi1": -57.041064351959, + "chi1": null, "chi4": null, "chi5": null, - "a1": 123.477803073655, - "L4": 1.53874895714818, - "L5": 1.22754702292796, - "L2": 1.46062170134399, - "L3": 1.53720661087783, - "a7": 121.806519266898, - "L1": 1.32776481406526, + "a1": 120.73535041436, + "L4": 1.52403301870379, + "L5": 1.22913512329304, + "L2": 1.45671452150065, + "L3": 1.52276398437931, + "a7": 122.784603451217, + "L1": 1.32663690231524, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.051701415334, - "bs": 16.0, - "a2": 110.515853049623, - "a5": 121.263918527581, + "ss": "-", + "a3": 111.818336633169, + "bs": 76.0, + "a2": 109.75156866891, + "a5": 120.566868454308, "sidechain_LEU": null, - "chainIndex": 567, + "chainIndex": 703, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.13554842258 + "a4": 110.087064261736 } }, { "pk": 1436, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.707970381851, - "psi": 146.611315395917, - "oldID": "352", - "bg": 28.38, + "a6": 116.732633273749, + "psi": 162.499190410937, + "oldID": "705", + "bg": 84.37, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.5001418204368, + "zeta": 34.6054831308914, "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 96, + "sidechain_LYS": 87, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1438, + "next": 1437, "sidechain_SER": null, - "bm": 27.0, + "bm": 78.0, "xpr": false, - "prev": 1434, + "prev": 1435, "terminal_flag": false, - "phi": -71.597093078384, + "phi": -71.0953114585696, "chainID": "A", "sidechain_GLN": null, - "ome": 179.741595419777, - "chi2": null, - "chi3": null, - "chi1": 169.568255718652, - "chi4": null, + "ome": -179.971273431761, + "chi2": 81.9879603172648, + "chi3": -170.38200228968, + "chi1": -61.7848796049168, + "chi4": -175.502995839097, "chi5": null, - "a1": 122.985895262156, - "L4": 1.53508187081516, - "L5": 1.23241892832875, - "L2": 1.45073243402528, - "L3": 1.53302430406385, - "a7": 122.251241861385, - "L1": 1.32980941878506, + "a1": 120.731523915164, + "L4": 1.52873431532526, + "L5": 1.23519821122201, + "L2": 1.4583875569967, + "L3": 1.53689703319503, + "a7": 122.833240803893, + "L1": 1.3309968942727, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.142965791753, - "bs": 27.0, - "a2": 110.631706570329, - "a5": 121.040592976186, + "ss": "-", + "a3": 108.451983529167, + "bs": 85.0, + "a2": 110.999869081561, + "a5": 120.43408667123, "sidechain_LEU": null, - "chainIndex": 351, + "chainIndex": 704, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.577088334636 + "a4": 109.775971218842 } }, { "pk": 1437, "model": "pgd_core.residue", "fields": { - "aa": "f", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.102301606345, - "psi": 121.080085754082, - "oldID": "569", - "bg": 14.78, + "a6": 116.058706984853, + "psi": 144.747710588206, + "oldID": "706", + "bg": 69.8, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4402238449518, - "sidechain_PHE": 57, + "protein": "1TWF", + "zeta": 34.8699873964636, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1439, + "next": 1438, "sidechain_SER": null, - "bm": 13.0, + "bm": 74.0, "xpr": false, - "prev": 1435, + "prev": 1436, "terminal_flag": false, - "phi": -101.629455933447, + "phi": -50.0578389401033, "chainID": "A", "sidechain_GLN": null, - "ome": -176.231163870116, - "chi2": 81.0645476672609, + "ome": 179.431898192408, + "chi2": null, "chi3": null, - "chi1": 173.460644000648, + "chi1": -174.188670644687, "chi4": null, "chi5": null, - "a1": 119.80367939166, - "L4": 1.52063751413172, - "L5": 1.23256843141532, - "L2": 1.45069352827181, - "L3": 1.52225516857112, - "a7": 123.117873994319, - "L1": 1.32242247725063, + "a1": 121.380760517118, + "L4": 1.51943899260206, + "L5": 1.23110225066594, + "L2": 1.45911901895613, + "L3": 1.53164344392315, + "a7": 123.189987594238, + "L1": 1.33119304295898, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.047131026134, - "bs": 15.0, - "a2": 111.687456433436, - "a5": 120.749869616215, + "ss": "T", + "a3": 110.357692615896, + "bs": 69.0, + "a2": 111.304836449009, + "a5": 120.751113183432, "sidechain_LEU": null, - "chainIndex": 568, - "sidechain_HIS": null, + "chainIndex": 705, + "sidechain_HIS": 51, "h_bond_energy": 0.0, - "a4": 110.229548998705 + "a4": 108.513329709732 } }, { "pk": 1438, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.658030246008, - "psi": 164.105336983418, - "oldID": "353", - "bg": 30.78, + "a6": 115.855357254921, + "psi": 51.2468052561421, + "oldID": "707", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 78, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6423999705213, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1440, + "next": 1439, "sidechain_SER": null, - "bm": 26.0, + "bm": 72.0, "xpr": false, - "prev": 1436, + "prev": 1437, "terminal_flag": false, - "phi": -102.941621486803, + "phi": 47.8513290967548, "chainID": "A", "sidechain_GLN": null, - "ome": 177.888965156713, - "chi2": 176.328764521231, + "ome": 179.471472534154, + "chi2": null, "chi3": null, - "chi1": 45.2666255371293, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.969404594971, - "L4": 1.53576658589976, - "L5": 1.22476113565962, - "L2": 1.46903407588759, - "L3": 1.55209359620332, - "a7": 121.884087817054, - "L1": 1.32990618025104, + "a1": 120.802294913986, + "L4": 1.51010727810864, + "L5": 1.22876091849411, + "L2": 1.45069817721896, + "L3": null, + "a7": 123.132084117161, + "L1": 1.32729958066414, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.029174710091, - "bs": 29.0, - "a2": 112.543334763558, - "a5": 120.414366581206, + "ss": "T", + "a3": 112.413956535265, + "bs": 0.0, + "a2": null, + "a5": 121.011170977407, "sidechain_LEU": null, - "chainIndex": 352, + "chainIndex": 706, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.450445208879 + "a4": null } }, { "pk": 1439, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.212907014293, - "psi": 104.994335853414, - "oldID": "570", - "bg": 14.18, + "a6": 115.415247291323, + "psi": 139.248426459581, + "oldID": "708", + "bg": 77.93, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1657060470338, + "protein": "1TWF", + "zeta": 34.6642133589883, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 36, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1441, + "next": 1440, "sidechain_SER": null, - "bm": 14.0, + "bm": 70.0, "xpr": false, - "prev": 1437, + "prev": 1438, "terminal_flag": false, - "phi": -114.228420567727, + "phi": -159.624863290695, "chainID": "A", "sidechain_GLN": null, - "ome": -179.090959427827, - "chi2": -174.677496101887, - "chi3": null, - "chi1": -48.7073608792096, + "ome": -179.231587109089, + "chi2": 171.318375640515, + "chi3": -77.703201358371, + "chi1": -129.617201672104, "chi4": null, "chi5": null, - "a1": 123.332325967937, - "L4": 1.53634120106458, - "L5": 1.21012288973404, - "L2": 1.45713727143415, - "L3": 1.5355772731753, - "a7": 122.031910514583, - "L1": 1.32263324697984, + "a1": 121.403190300809, + "L4": 1.51427296692259, + "L5": 1.22818029084131, + "L2": 1.45116825845058, + "L3": 1.51922823823626, + "a7": 123.368252822894, + "L1": 1.32511870077486, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.721946216328, - "bs": 13.0, - "a2": 109.766638826523, - "a5": 119.707696522829, - "sidechain_LEU": 116, - "chainIndex": 569, + "ss": "-", + "a3": 109.614264298732, + "bs": 79.0, + "a2": 110.167279381271, + "a5": 121.216432995621, + "sidechain_LEU": null, + "chainIndex": 707, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.784967285043 + "a4": 110.11751705573 } }, { "pk": 1440, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.744165143392, - "psi": 151.179505653787, - "oldID": "354", - "bg": 23.74, + "a6": 115.113542919059, + "psi": 157.63058982478, + "oldID": "709", + "bg": 67.4, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.1519338480172, + "zeta": 35.734508463009, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 75, "sidechain_TRP": null, - "next": 1442, - "sidechain_SER": 73, - "bm": 22.0, + "next": 1441, + "sidechain_SER": null, + "bm": 65.0, "xpr": false, - "prev": 1438, + "prev": 1439, "terminal_flag": false, - "phi": -151.592114143437, + "phi": -73.4793969255879, "chainID": "A", "sidechain_GLN": null, - "ome": 177.207470530519, + "ome": 178.465506783021, "chi2": null, "chi3": null, - "chi1": -45.2560934703777, + "chi1": -53.2145978670668, "chi4": null, "chi5": null, - "a1": 121.385598695646, - "L4": 1.51753800671302, - "L5": 1.23262415941042, - "L2": 1.46323403957145, - "L3": 1.54163352760744, - "a7": 122.938331896851, - "L1": 1.32949794359295, + "a1": 122.064948101989, + "L4": 1.50948952973897, + "L5": 1.23424564355083, + "L2": 1.44837601010783, + "L3": 1.52331210730407, + "a7": 123.328749575286, + "L1": 1.32374407562787, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 105.480744885227, - "bs": 24.0, - "a2": 113.230961831629, - "a5": 120.310093177901, + "ss": "-", + "a3": 111.784077733245, + "bs": 66.0, + "a2": 111.133132763572, + "a5": 121.553789459791, "sidechain_LEU": null, - "chainIndex": 353, + "chainIndex": 708, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.841749721309 + "a4": 107.062216972119 } }, { "pk": 1441, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 73, + "aa": "l", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.679919568989, - "psi": 127.268229870413, - "oldID": "571", - "bg": 13.8, + "a6": 115.605627958865, + "psi": -46.1347620812356, + "oldID": "710", + "bg": 60.49, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.5364889149041, + "protein": "1TWF", + "zeta": 35.4693273024363, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1443, + "next": 1442, "sidechain_SER": null, - "bm": 14.0, + "bm": 57.0, "xpr": false, - "prev": 1439, + "prev": 1440, "terminal_flag": false, - "phi": -66.5859874576373, + "phi": -61.7923343969187, "chainID": "A", "sidechain_GLN": null, - "ome": -177.684271776192, - "chi2": -36.981460572823, - "chi3": 35.0760990459337, - "chi1": 23.8104786621046, - "chi4": -21.0862482021878, + "ome": -179.835773880416, + "chi2": 41.6857106433633, + "chi3": null, + "chi1": -130.370055727397, + "chi4": null, "chi5": null, - "a1": 121.394086449371, - "L4": 1.52004314682072, - "L5": 1.23132838162681, - "L2": 1.47705071837949, - "L3": 1.53987935005364, - "a7": 123.331216212522, - "L1": 1.33590178098442, + "a1": 120.595336365138, + "L4": 1.52842967526458, + "L5": 1.23014713545249, + "L2": 1.439560135238, + "L3": 1.5200248340437, + "a7": 122.913868934364, + "L1": 1.32277342285926, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -3.19979758387271, - "ss": "E", - "a3": 110.557488743051, - "bs": 14.0, - "a2": 103.115459750608, - "a5": 118.970418286059, - "sidechain_LEU": null, - "chainIndex": 570, + "omep": null, + "ss": "H", + "a3": 106.706129159786, + "bs": 60.0, + "a2": 109.43994697638, + "a5": 121.466893723096, + "sidechain_LEU": 124, + "chainIndex": 709, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.203858356488 + "a4": 110.394681303106 } }, { "pk": 1442, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.228595853006, - "psi": 148.717002666718, - "oldID": "355", - "bg": 0.0, + "a6": 116.670022023664, + "psi": -30.8201274401583, + "oldID": "711", + "bg": 49.32, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.1240269384217, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1444, + "next": 1443, "sidechain_SER": null, - "bm": 20.0, + "bm": 50.0, "xpr": false, - "prev": 1440, + "prev": 1441, "terminal_flag": false, - "phi": -83.1497268343429, + "phi": -67.0116123526583, "chainID": "A", "sidechain_GLN": null, - "ome": 179.190153683992, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.813930803574, - "L4": 1.52165143298529, - "L5": 1.24242644111467, - "L2": 1.44308480628262, - "L3": null, - "a7": 121.612606858859, - "L1": 1.32524444952558, - "sidechain_ARG": null, + "ome": 179.130688286033, + "chi2": 170.797912464872, + "chi3": 176.301762061137, + "chi1": -72.4036522171036, + "chi4": -74.8673132298282, + "chi5": -0.27450344737859, + "a1": 121.715816070938, + "L4": 1.51367163600939, + "L5": 1.22653120671147, + "L2": 1.45087406627496, + "L3": 1.52311705989312, + "a7": 122.63488470403, + "L1": 1.32574785955035, + "sidechain_ARG": 73, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.936568247075, - "bs": 0.0, - "a2": null, - "a5": 122.158590815952, + "ss": "H", + "a3": 112.373766155558, + "bs": 48.0, + "a2": 109.701105883315, + "a5": 120.694060345349, "sidechain_LEU": null, - "chainIndex": 354, + "chainIndex": 710, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.561257020818 } }, { "pk": 1443, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.433660579663, - "psi": 168.899741420766, - "oldID": "572", - "bg": 17.1, - "sidechain_CYS": 28, + "a6": 117.565738936874, + "psi": -43.3363759446826, + "oldID": "712", + "bg": 58.12, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9619315059864, + "protein": "1TWF", + "zeta": 33.9468622055847, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1445, + "next": 1444, "sidechain_SER": null, - "bm": 14.0, + "bm": 47.0, "xpr": false, - "prev": 1441, + "prev": 1442, "terminal_flag": false, - "phi": -107.333000472563, + "phi": -68.717329765408, "chainID": "A", "sidechain_GLN": null, - "ome": 175.818448323644, - "chi2": null, - "chi3": null, - "chi1": 66.8168665230455, + "ome": -179.263083700002, + "chi2": -175.672531909396, + "chi3": -62.4046517789744, + "chi1": -63.8649096601676, "chi4": null, "chi5": null, - "a1": 121.4665604211, - "L4": 1.54190289264993, - "L5": 1.25789058411127, - "L2": 1.4509395291003, - "L3": 1.53026930600262, - "a7": 122.94132220164, - "L1": 1.33656693831801, + "a1": 119.518893942925, + "L4": 1.52877879391657, + "L5": 1.22707011402315, + "L2": 1.450177820102, + "L3": 1.5360120853354, + "a7": 122.304423576264, + "L1": 1.32539688060601, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 106, "omep": null, - "ss": "B", - "a3": 113.512958327344, - "bs": 15.0, - "a2": 109.644932137238, - "a5": 122.622856975597, + "ss": "H", + "a3": 109.972119862639, + "bs": 59.0, + "a2": 110.853179148507, + "a5": 120.123602533372, "sidechain_LEU": null, - "chainIndex": 571, + "chainIndex": 711, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.390843225829 + "a4": 110.4893630068 } }, { "pk": 1444, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 86, - "a6": 116.522454238484, - "psi": 112.98196449417, - "oldID": "356", - "bg": 20.4, + "sidechain_ASP": null, + "a6": 114.56355754217, + "psi": -40.7051989442482, + "oldID": "713", + "bg": 50.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.446423371186, + "zeta": 34.1291897077353, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1446, - "sidechain_SER": null, - "bm": 24.0, + "next": 1445, + "sidechain_SER": 68, + "bm": 43.0, "xpr": false, - "prev": 1442, + "prev": 1443, "terminal_flag": false, - "phi": -146.717819224428, + "phi": -63.3177874099616, "chainID": "A", "sidechain_GLN": null, - "ome": -179.960759585844, - "chi2": -38.1184534644647, + "ome": 178.462998750161, + "chi2": null, "chi3": null, - "chi1": -167.296930765651, + "chi1": -59.8164044637004, "chi4": null, "chi5": null, - "a1": 119.801445279943, - "L4": 1.50667350716151, - "L5": 1.23364251244694, - "L2": 1.44338147977582, - "L3": 1.53066878137546, - "a7": 122.56371319496, - "L1": 1.31754271947359, + "a1": 120.448918734337, + "L4": 1.52217304456326, + "L5": 1.24383270186832, + "L2": 1.461966315494, + "L3": 1.52562128938357, + "a7": 124.280884681908, + "L1": 1.33021918014523, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.277664016307, - "bs": 20.0, - "a2": 111.404513307429, - "a5": 120.91105036232, + "ss": "H", + "a3": 110.11549147838, + "bs": 48.0, + "a2": 109.962001220318, + "a5": 121.146210336741, "sidechain_LEU": null, - "chainIndex": 355, + "chainIndex": 712, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.816369187282 + "a4": 110.91596967882 } }, { "pk": 1445, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.116748088564, - "psi": 160.090319422231, - "oldID": "573", - "bg": 0.0, + "a6": 116.388888275079, + "psi": -57.0732942357728, + "oldID": "714", + "bg": 39.44, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3960764328393, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 35.8341809050156, + "sidechain_PHE": 56, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1447, + "next": 1446, "sidechain_SER": null, - "bm": 15.0, + "bm": 39.0, "xpr": false, - "prev": 1443, + "prev": 1444, "terminal_flag": false, - "phi": -71.0859645915818, + "phi": -56.7882254174254, "chainID": "A", "sidechain_GLN": null, - "ome": 175.202558056892, - "chi2": null, + "ome": -178.887330990265, + "chi2": 73.0101632786085, "chi3": null, - "chi1": null, + "chi1": 171.344941729535, "chi4": null, "chi5": null, - "a1": 123.102866900307, - "L4": 1.53836131387289, - "L5": 1.23401521246224, - "L2": 1.46392499905075, - "L3": 1.53583924519651, - "a7": 122.228472337244, - "L1": 1.32377739394933, + "a1": 123.536934242796, + "L4": 1.52976878343423, + "L5": 1.22214525414466, + "L2": 1.45301453584175, + "L3": 1.53883668239851, + "a7": 123.089363960278, + "L1": 1.32875947543229, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.151890299672, - "bs": 13.0, - "a2": 109.731696636482, - "a5": 120.654516665725, + "ss": "H", + "a3": 109.874362791981, + "bs": 38.0, + "a2": 110.42931077509, + "a5": 120.514680912455, "sidechain_LEU": null, - "chainIndex": 572, + "chainIndex": 713, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.307891434332 + "a4": 108.187799123936 } }, { "pk": 1446, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 74, + "aa": "e", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.882414099017, - "psi": -10.1170580169688, - "oldID": "357", - "bg": 29.07, + "a6": 114.649425950759, + "psi": -43.3001534428076, + "oldID": "715", + "bg": 37.46, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.0325267935417, + "zeta": 34.3873767914632, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1448, + "next": 1447, "sidechain_SER": null, - "bm": 26.0, + "bm": 42.0, "xpr": false, - "prev": 1444, + "prev": 1445, "terminal_flag": false, - "phi": -73.1134074536323, + "phi": -58.5777407572396, "chainID": "A", "sidechain_GLN": null, - "ome": -178.87158567251, - "chi2": -34.134938759674, - "chi3": 30.7007152209371, - "chi1": 23.593068754839, - "chi4": -15.8831200859273, + "ome": 179.51500424686, + "chi2": -58.0661873771774, + "chi3": -30.227110789352, + "chi1": -73.3596630344522, + "chi4": null, "chi5": null, - "a1": 122.876826222743, - "L4": 1.53105574464644, - "L5": 1.2287246488152, - "L2": 1.4619234758627, - "L3": 1.53234349468218, - "a7": 121.982176882065, - "L1": 1.33846797924729, + "a1": 121.926518437279, + "L4": 1.5097779837807, + "L5": 1.23019495940338, + "L2": 1.45416153966779, + "L3": 1.53286711807808, + "a7": 123.557157546528, + "L1": 1.33184174527533, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -14.0238914833632, - "ss": "T", - "a3": 114.193422989546, - "bs": 28.0, - "a2": 103.457206389981, - "a5": 121.066210270708, + "sidechain_GLU": 107, + "omep": null, + "ss": "H", + "a3": 110.777746854159, + "bs": 36.0, + "a2": 110.37425961253, + "a5": 121.790203884245, "sidechain_LEU": null, - "chainIndex": 356, + "chainIndex": 714, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.517722895246 + "a4": 110.135518822357 } }, { "pk": 1447, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.805521189237, - "psi": 164.827143224811, - "oldID": "574", - "bg": 15.79, + "chain": "1TWFA", + "sidechain_ASP": 93, + "a6": 116.67104067719, + "psi": -40.3995427764637, + "oldID": "716", + "bg": 50.91, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.3933318439245, + "protein": "1TWF", + "zeta": 35.8084190429492, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 97, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1449, + "next": 1448, "sidechain_SER": null, - "bm": 15.0, + "bm": 42.0, "xpr": false, - "prev": 1445, + "prev": 1446, "terminal_flag": false, - "phi": -102.232115019655, + "phi": -56.3112479097317, "chainID": "A", "sidechain_GLN": null, - "ome": -174.08146855494, - "chi2": null, + "ome": -179.684146439587, + "chi2": 23.8254017254575, "chi3": null, - "chi1": -63.8248829820331, + "chi1": -168.384271265633, "chi4": null, "chi5": null, - "a1": 121.643250149828, - "L4": 1.51697659455461, - "L5": 1.22884103540754, - "L2": 1.46439341397475, - "L3": 1.55520764001883, - "a7": 123.312951601691, - "L1": 1.33475881404196, + "a1": 121.910043603365, + "L4": 1.52749319565694, + "L5": 1.22759956327988, + "L2": 1.439152922865, + "L3": 1.5152406243553, + "a7": 122.014246234941, + "L1": 1.31886013161859, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 105.970509134977, - "bs": 15.0, - "a2": 113.560335706006, - "a5": 118.877587893856, + "ss": "H", + "a3": 110.73352651284, + "bs": 50.0, + "a2": 109.271259657882, + "a5": 121.309229184006, "sidechain_LEU": null, - "chainIndex": 573, + "chainIndex": 715, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.564742163589 + "a4": 108.993693053724 } }, { @@ -151102,1157 +138998,1157 @@ "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 61, + "sidechain_ASN": 55, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.765276513268, - "psi": 26.5608687118477, - "oldID": "358", - "bg": 32.48, + "a6": 117.049625249228, + "psi": -40.6452391766331, + "oldID": "717", + "bg": 46.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 32.6803386146063, + "zeta": 33.908977204238, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1450, + "next": 1449, "sidechain_SER": null, - "bm": 32.0, + "bm": 40.0, "xpr": false, - "prev": 1446, + "prev": 1447, "terminal_flag": false, - "phi": -106.171485419853, + "phi": -74.1967839773658, "chainID": "A", "sidechain_GLN": null, - "ome": 177.494004273513, - "chi2": -55.4365812886611, + "ome": -179.109013329244, + "chi2": -35.0513023187334, "chi3": null, - "chi1": -67.3424686949352, + "chi1": -64.4621313490085, "chi4": null, "chi5": null, - "a1": 119.331908540279, - "L4": 1.49973188245573, - "L5": 1.22302473643149, - "L2": 1.453203962072, - "L3": 1.51929065606393, - "a7": 123.415156460742, - "L1": 1.32531650850645, + "a1": 119.199366612463, + "L4": 1.52494847645558, + "L5": 1.22883489280401, + "L2": 1.44834058762751, + "L3": 1.52395423007038, + "a7": 122.670826697298, + "L1": 1.32365328118889, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.060123917756, - "bs": 32.0, - "a2": 109.507425616333, - "a5": 121.813697242079, + "ss": "H", + "a3": 113.922169829592, + "bs": 46.0, + "a2": 109.984342800513, + "a5": 120.273134662347, "sidechain_LEU": null, - "chainIndex": 357, + "chainIndex": 716, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.312349351345 + "a4": 110.011640382379 } }, { "pk": 1449, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.259283436053, - "psi": -42.7766036509674, - "oldID": "575", - "bg": 0.0, + "a6": 116.773124813784, + "psi": -41.7159189908815, + "oldID": "718", + "bg": 34.78, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8521611588339, + "protein": "1TWF", + "zeta": 34.1584817124001, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 109, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1451, + "next": 1450, "sidechain_SER": null, - "bm": 15.0, + "bm": 35.0, "xpr": false, - "prev": 1447, + "prev": 1448, "terminal_flag": false, - "phi": -50.3512479618251, + "phi": -65.4190132388078, "chainID": "A", "sidechain_GLN": null, - "ome": -177.040610079881, + "ome": 179.570275892551, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 171.491866254182, "chi4": null, "chi5": null, - "a1": 121.492207277328, - "L4": 1.53330761455821, - "L5": 1.239129547455, - "L2": 1.46174174782014, - "L3": 1.53608923452722, - "a7": 121.877864705824, - "L1": 1.33031064192774, + "a1": 120.397736233348, + "L4": 1.51746998167486, + "L5": 1.22570124325136, + "L2": 1.45193277767841, + "L3": 1.53330890143431, + "a7": 122.623855452057, + "L1": 1.32739280677024, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 117.345784740426, - "bs": 17.0, - "a2": 110.343513987658, - "a5": 119.855702846345, + "ss": "H", + "a3": 111.068686524636, + "bs": 35.0, + "a2": 110.524063195433, + "a5": 120.597327025486, "sidechain_LEU": null, - "chainIndex": 574, + "chainIndex": 717, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.905728550677 + "a4": 110.19324045902 } }, { "pk": 1450, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.997893528033, - "psi": 147.84293601945, - "oldID": "359", - "bg": 35.35, + "a6": 117.735748906135, + "psi": -36.3275026590231, + "oldID": "719", + "bg": 23.97, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.7825481902112, + "zeta": 33.2086902683962, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 110, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1452, + "next": 1451, "sidechain_SER": null, - "bm": 33.0, + "bm": 34.0, "xpr": false, - "prev": 1448, + "prev": 1449, "terminal_flag": false, - "phi": -120.626149692707, + "phi": -65.9482397739047, "chainID": "A", "sidechain_GLN": null, - "ome": 178.394631833419, - "chi2": 163.647916801368, + "ome": 179.65283037625, + "chi2": null, "chi3": null, - "chi1": -76.6839617049588, + "chi1": 169.823795768809, "chi4": null, "chi5": null, - "a1": 122.838492584762, - "L4": 1.50507711932313, - "L5": 1.23555585003478, - "L2": 1.44103252942445, - "L3": 1.51168221128548, - "a7": 123.34139081599, - "L1": 1.31619118316943, + "a1": 118.710732329194, + "L4": 1.53440642218497, + "L5": 1.22617821219636, + "L2": 1.44193085795633, + "L3": 1.54953748606827, + "a7": 122.203919567347, + "L1": 1.32520297275085, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 105.544202674245, - "bs": 37.0, - "a2": 109.920187904954, - "a5": 120.653122663292, - "sidechain_LEU": 117, - "chainIndex": 358, + "ss": "H", + "a3": 111.303883427707, + "bs": 25.0, + "a2": 111.461280889554, + "a5": 120.0546252786, + "sidechain_LEU": null, + "chainIndex": 718, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.066651509777 + "a4": 110.645822390215 } }, { "pk": 1451, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.953605748358, - "psi": -6.46409626677751, - "oldID": "576", - "bg": 15.9, + "a6": 115.112739063568, + "psi": -39.6863460626548, + "oldID": "720", + "bg": 53.92, "sidechain_CYS": null, - "sidechain_ILE": 79, - "protein": "1H0H", - "zeta": 31.5935878621201, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.9910304601735, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1453, + "next": 1452, "sidechain_SER": null, - "bm": 15.0, + "bm": 41.0, "xpr": false, - "prev": 1449, + "prev": 1450, "terminal_flag": false, - "phi": -73.6033285762049, + "phi": -67.5532994210405, "chainID": "A", "sidechain_GLN": null, - "ome": 176.129279804117, - "chi2": 160.90619452982, - "chi3": null, - "chi1": 59.2400866114152, - "chi4": null, - "chi5": null, - "a1": 118.652656578851, - "L4": 1.51454486134478, - "L5": 1.23057943271521, - "L2": 1.47140806746118, - "L3": 1.5560921104648, - "a7": 123.509343387876, - "L1": 1.32932902502365, - "sidechain_ARG": null, - "sidechain_TYR": null, + "ome": 179.223747081202, + "chi2": -168.444715969292, + "chi3": 74.7786602506323, + "chi1": 178.219342049986, + "chi4": -110.244551382561, + "chi5": -0.0456745683380888, + "a1": 121.19212072097, + "L4": 1.52513994287286, + "L5": 1.23504558876739, + "L2": 1.46496287483385, + "L3": 1.52718181698055, + "a7": 123.777598680448, + "L1": 1.32932614411922, + "sidechain_ARG": 74, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 112.605441474697, - "bs": 15.0, - "a2": 112.433523159784, - "a5": 119.517503587018, + "ss": "H", + "a3": 111.089225113462, + "bs": 60.0, + "a2": 110.974766702498, + "a5": 121.103531062411, "sidechain_LEU": null, - "chainIndex": 575, + "chainIndex": 719, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.34034126344 + "a4": 108.336489286963 } }, { "pk": 1452, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.919282566531, - "psi": 153.425743594242, - "oldID": "360", - "bg": 42.68, + "a6": 115.656741654632, + "psi": -46.2211525817777, + "oldID": "721", + "bg": 50.67, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.4894718522468, - "sidechain_PHE": null, + "zeta": 35.3265836518352, + "sidechain_PHE": 57, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1454, + "next": 1453, "sidechain_SER": null, - "bm": 31.0, + "bm": 43.0, "xpr": false, - "prev": 1450, + "prev": 1451, "terminal_flag": false, - "phi": -74.0529485885397, + "phi": -62.2265248897156, "chainID": "A", "sidechain_GLN": null, - "ome": -179.988934894447, - "chi2": -48.1528069344005, - "chi3": -41.8693804513169, - "chi1": -64.8049387939782, + "ome": -178.558128960666, + "chi2": -23.2167199323552, + "chi3": null, + "chi1": -80.7086006350346, "chi4": null, "chi5": null, - "a1": 121.975941775965, - "L4": 1.53931461185824, - "L5": 1.23957383603847, - "L2": 1.47187718642029, - "L3": 1.53674833530714, - "a7": 122.732525802165, - "L1": 1.32595455380687, + "a1": 122.914096873015, + "L4": 1.52408269545708, + "L5": 1.23329161498556, + "L2": 1.44582620326302, + "L3": 1.54527196096771, + "a7": 122.71257020357, + "L1": 1.32908725056928, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 110, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.945932448696, - "bs": 44.0, - "a2": 110.459242716179, - "a5": 120.33884008061, + "ss": "H", + "a3": 108.216089514451, + "bs": 52.0, + "a2": 110.160146847754, + "a5": 121.612779401873, "sidechain_LEU": null, - "chainIndex": 359, + "chainIndex": 720, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.433634614743 + "a4": 109.830234996514 } }, { "pk": 1453, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.961340419857, - "psi": 11.8077091406816, - "oldID": "577", - "bg": 13.51, + "a6": 117.321392261307, + "psi": -36.0963048287719, + "oldID": "722", + "bg": 32.71, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8913694893017, + "protein": "1TWF", + "zeta": 34.4156974478445, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1455, + "next": 1454, "sidechain_SER": null, - "bm": 14.0, + "bm": 41.0, "xpr": false, - "prev": 1451, + "prev": 1452, "terminal_flag": false, - "phi": -99.1142539018174, + "phi": -70.5402201207506, "chainID": "A", "sidechain_GLN": null, - "ome": -175.048863606418, - "chi2": 164.717003162917, - "chi3": -15.1842822651059, - "chi1": -61.2017462455932, + "ome": -179.710227500105, + "chi2": 163.111049812647, + "chi3": null, + "chi1": -67.4004075148699, "chi4": null, "chi5": null, - "a1": 123.226245806566, - "L4": 1.54244034637531, - "L5": 1.23104960118445, - "L2": 1.47959110541932, - "L3": 1.54312230869692, - "a7": 122.760848080488, - "L1": 1.3308263213121, + "a1": 121.467691314222, + "L4": 1.50912643327882, + "L5": 1.22720877605394, + "L2": 1.44767375870645, + "L3": 1.5178114606364, + "a7": 122.42191599481, + "L1": 1.32268814775483, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 111, + "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.472534681633, - "bs": 14.0, - "a2": 111.178152174659, - "a5": 120.26198815005, - "sidechain_LEU": null, - "chainIndex": 576, + "ss": "H", + "a3": 115.863851323031, + "bs": 32.0, + "a2": 109.341708816623, + "a5": 120.24608487531, + "sidechain_LEU": 125, + "chainIndex": 721, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.155839172126 + "a4": 109.346051150665 } }, { "pk": 1454, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 56, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.757017405534, - "psi": -42.7705675358015, - "oldID": "361", - "bg": 24.98, + "a6": 114.383704783198, + "psi": -35.7987471278095, + "oldID": "723", + "bg": 48.29, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3053676471013, + "zeta": 34.0697598431026, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1456, + "next": 1455, "sidechain_SER": null, - "bm": 23.0, + "bm": 45.0, "xpr": false, - "prev": 1452, + "prev": 1453, "terminal_flag": false, - "phi": -48.8653460816766, + "phi": -76.5685554029117, "chainID": "A", "sidechain_GLN": null, - "ome": -179.636313635404, - "chi2": 78.2640568813799, + "ome": 177.95229136795, + "chi2": -25.5494271964947, "chi3": null, - "chi1": -178.941814174989, + "chi1": -81.9727068554291, "chi4": null, "chi5": null, - "a1": 122.176162112366, - "L4": 1.52837245581514, - "L5": 1.21870220810772, - "L2": 1.48087181486949, - "L3": 1.54019722305639, - "a7": 121.024465602618, - "L1": 1.33362702261996, + "a1": 118.858639567068, + "L4": 1.49688705620293, + "L5": 1.23532540088448, + "L2": 1.44129420228953, + "L3": 1.51330137500773, + "a7": 124.089931426225, + "L1": 1.32142479321795, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.025307842868, - "bs": 24.0, - "a2": 111.077502298163, - "a5": 120.215823366865, - "sidechain_LEU": 118, - "chainIndex": 360, + "ss": "H", + "a3": 107.749850848809, + "bs": 48.0, + "a2": 110.314189091486, + "a5": 121.519184935154, + "sidechain_LEU": null, + "chainIndex": 722, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.308295683995 + "a4": 111.493729345599 } }, { "pk": 1455, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.986966247038, - "psi": 152.423575778016, - "oldID": "578", - "bg": 15.34, + "a6": 116.233579842204, + "psi": -41.2949242627041, + "oldID": "724", + "bg": 62.94, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4140994683114, + "protein": "1TWF", + "zeta": 36.0805009051579, "sidechain_PHE": null, - "sidechain_LYS": 98, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1457, + "next": 1456, "sidechain_SER": null, - "bm": 14.0, + "bm": 47.0, "xpr": false, - "prev": 1453, + "prev": 1454, "terminal_flag": false, - "phi": -128.476049689514, + "phi": -59.1300614394549, "chainID": "A", "sidechain_GLN": null, - "ome": 173.514103468964, - "chi2": 162.247591393206, - "chi3": 70.9723482247377, - "chi1": -60.6355874616118, - "chi4": 171.301691494552, + "ome": -178.544453446, + "chi2": -169.719417241322, + "chi3": 23.585617515124, + "chi1": 172.432680764215, + "chi4": null, "chi5": null, - "a1": 122.891804951936, - "L4": 1.5427793738423, - "L5": 1.22182693494786, - "L2": 1.47132821551645, - "L3": 1.53154355825683, - "a7": 122.245278526688, - "L1": 1.3335770007678, + "a1": 121.427239556674, + "L4": 1.5167044448982, + "L5": 1.22379917165708, + "L2": 1.44224707958294, + "L3": 1.5313779222136, + "a7": 123.103250470212, + "L1": 1.32334343914998, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 108, "omep": null, - "ss": "-", - "a3": 115.934935982606, - "bs": 15.0, - "a2": 109.346342044404, - "a5": 120.761617544101, + "ss": "H", + "a3": 105.981860762178, + "bs": 64.0, + "a2": 110.124437174471, + "a5": 120.657647256584, "sidechain_LEU": null, - "chainIndex": 577, + "chainIndex": 723, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.870459762605 + "a4": 109.112750553897 } }, { "pk": 1456, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 87, - "a6": 117.589399212227, - "psi": 8.23823560874273, - "oldID": "362", - "bg": 33.56, + "sidechain_ASP": null, + "a6": 116.129354330715, + "psi": -46.669208568652, + "oldID": "725", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.4530345840736, + "zeta": 34.1063047219725, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1458, + "next": 1457, "sidechain_SER": null, - "bm": 23.0, + "bm": 42.0, "xpr": false, - "prev": 1454, + "prev": 1455, "terminal_flag": false, - "phi": -87.921988717246, + "phi": -65.9314461101877, "chainID": "A", "sidechain_GLN": null, - "ome": -179.605936907434, - "chi2": -16.5193049288944, + "ome": 179.911387099826, + "chi2": null, "chi3": null, - "chi1": 56.0704405106056, + "chi1": null, "chi4": null, "chi5": null, - "a1": 117.54474521587, - "L4": 1.5180736544422, - "L5": 1.22827018606288, - "L2": 1.4612828767823, - "L3": 1.52276195631687, - "a7": 121.365115450467, - "L1": 1.32530535563641, + "a1": 121.360304329123, + "L4": 1.50856473766062, + "L5": 1.23246359703149, + "L2": 1.45668391151501, + "L3": 1.51293165085496, + "a7": 122.844859089887, + "L1": 1.32923627970955, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.374305365645, - "bs": 34.0, - "a2": 110.47552123881, - "a5": 121.045018979758, + "ss": "H", + "a3": 112.410771929789, + "bs": 43.0, + "a2": 110.248533633432, + "a5": 121.020206859047, "sidechain_LEU": null, - "chainIndex": 361, + "chainIndex": 724, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.165726538601 + "a4": 109.899678441584 } }, { "pk": 1457, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.657455632582, - "psi": 125.636377747514, - "oldID": "579", - "bg": 15.61, + "a6": 116.094574146798, + "psi": -51.2023671839905, + "oldID": "726", + "bg": 49.41, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.4895929577085, + "protein": "1TWF", + "zeta": 35.0804634994538, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1459, + "next": 1458, "sidechain_SER": null, - "bm": 14.0, + "bm": 43.0, "xpr": false, - "prev": 1455, + "prev": 1456, "terminal_flag": false, - "phi": -118.207301680357, + "phi": -58.9856497606892, "chainID": "A", "sidechain_GLN": null, - "ome": 178.901147751888, - "chi2": 169.307595892847, - "chi3": 14.3206648525957, - "chi1": 175.203897042453, - "chi4": null, - "chi5": null, - "a1": 121.028376335136, - "L4": 1.53220295620179, - "L5": 1.25205617157773, - "L2": 1.45372241532161, - "L3": 1.53257920059776, - "a7": 123.755867508617, - "L1": 1.33154407139859, - "sidechain_ARG": null, + "ome": -178.542546805892, + "chi2": -158.125199225994, + "chi3": 46.5469430726575, + "chi1": 171.201711177174, + "chi4": -174.31441212373, + "chi5": -0.211915975062209, + "a1": 119.107442742401, + "L4": 1.51737175190142, + "L5": 1.22950837519711, + "L2": 1.43759992613326, + "L3": 1.5134325680934, + "a7": 123.287426430222, + "L1": 1.3221920750488, + "sidechain_ARG": 75, "sidechain_TYR": null, - "sidechain_GLU": 112, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.722580315414, - "bs": 16.0, - "a2": 113.564151995971, - "a5": 121.570034943264, + "ss": "H", + "a3": 108.721166032622, + "bs": 54.0, + "a2": 110.438136226516, + "a5": 120.606331971369, "sidechain_LEU": null, - "chainIndex": 578, + "chainIndex": 725, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.824152562281 + "a4": 109.469795772639 } }, { "pk": 1458, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.119048598104, - "psi": 166.307512950369, - "oldID": "363", - "bg": 24.85, + "sidechain_ASP": 94, + "a6": 116.794346565016, + "psi": -47.9889283736607, + "oldID": "727", + "bg": 49.67, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5537358416247, + "zeta": 33.830738318806, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1460, + "next": 1459, "sidechain_SER": null, - "bm": 20.0, + "bm": 46.0, "xpr": false, - "prev": 1456, + "prev": 1457, "terminal_flag": false, - "phi": -94.9350510892449, + "phi": -54.4887915152741, "chainID": "A", - "sidechain_GLN": 53, - "ome": 174.758493225902, - "chi2": -177.636151415936, - "chi3": -60.6504936877776, - "chi1": -72.0836821325417, + "sidechain_GLN": null, + "ome": -179.302945741345, + "chi2": -12.2999294127908, + "chi3": null, + "chi1": -64.9557059575042, "chi4": null, "chi5": null, - "a1": 118.040731013664, - "L4": 1.52961561313954, - "L5": 1.22887640286176, - "L2": 1.44934469912362, - "L3": 1.52277075223997, - "a7": 122.74916941114, - "L1": 1.31815696935796, + "a1": 121.102709192854, + "L4": 1.50833852049874, + "L5": 1.22631445852781, + "L2": 1.44916108062574, + "L3": 1.51818209302438, + "a7": 123.061678095162, + "L1": 1.32857875488757, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 114.451545832079, - "bs": 24.0, - "a2": 109.865408172711, - "a5": 121.083318540169, + "ss": "H", + "a3": 116.180647049711, + "bs": 50.0, + "a2": 110.075820964056, + "a5": 120.139073648136, "sidechain_LEU": null, - "chainIndex": 362, + "chainIndex": 726, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.054630083905 + "a4": 109.23313472205 } }, { "pk": 1459, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.176247312451, - "psi": -164.875266541217, - "oldID": "580", - "bg": 0.0, + "a6": 115.899979224661, + "psi": -32.2132647178726, + "oldID": "728", + "bg": 63.54, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 33.867241281741, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 88, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1461, + "next": 1460, "sidechain_SER": null, - "bm": 15.0, + "bm": 52.0, "xpr": false, - "prev": 1457, + "prev": 1458, "terminal_flag": false, - "phi": 170.568580503743, + "phi": -70.0355562476595, "chainID": "A", "sidechain_GLN": null, - "ome": -179.394714444935, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 179.431646581966, + "chi2": -172.165268725395, + "chi3": 170.815257014976, + "chi1": 52.0513237213164, + "chi4": 110.858682372087, "chi5": null, - "a1": 121.498754822869, - "L4": 1.50293013505187, - "L5": 1.2509770997167, - "L2": 1.44753029456749, - "L3": null, - "a7": 123.249039986403, - "L1": 1.32680312353091, + "a1": 120.48361306432, + "L4": 1.5135345856545, + "L5": 1.23280300721106, + "L2": 1.45405371152216, + "L3": 1.52665586024271, + "a7": 123.021862111075, + "L1": 1.32895750172403, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.628096107317, - "bs": 0.0, - "a2": null, - "a5": 120.54176774867, + "ss": "H", + "a3": 110.827534926377, + "bs": 67.0, + "a2": 110.714816240985, + "a5": 121.077307512263, "sidechain_LEU": null, - "chainIndex": 579, + "chainIndex": 727, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.421740225819 } }, { "pk": 1460, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.988357939601, - "psi": 124.97577813335, - "oldID": "364", - "bg": 16.81, + "a6": 115.931396396743, + "psi": -26.3507886143679, + "oldID": "729", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 32.3162378560029, + "zeta": 34.7599115277874, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 98, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1462, + "next": 1461, "sidechain_SER": null, - "bm": 22.0, + "bm": 48.0, "xpr": false, - "prev": 1458, + "prev": 1459, "terminal_flag": false, - "phi": -141.804371436505, + "phi": -70.659099826452, "chainID": "A", "sidechain_GLN": null, - "ome": 178.87905421632, + "ome": -179.462357646434, "chi2": null, "chi3": null, - "chi1": 49.5349786489445, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.277449500648, - "L4": 1.53590726258597, - "L5": 1.23644788343542, - "L2": 1.45917724975999, - "L3": 1.57676532890471, - "a7": 122.39684829031, - "L1": 1.33073297178221, + "a1": 120.422393465804, + "L4": 1.52218057852537, + "L5": 1.22971301516898, + "L2": 1.44656576364425, + "L3": 1.51200460123667, + "a7": 123.347673978839, + "L1": 1.32482958449569, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.399471444092, - "bs": 19.0, - "a2": 114.596543304444, - "a5": 121.597251526404, + "ss": "H", + "a3": 107.83659712096, + "bs": 48.0, + "a2": 110.018548838042, + "a5": 120.718232892776, "sidechain_LEU": null, - "chainIndex": 363, + "chainIndex": 728, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.559515992112 + "a4": 110.503918549391 } }, { "pk": 1461, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 113.902993859834, - "psi": 156.557755885707, - "oldID": "581", - "bg": 14.91, + "a6": 115.592322055812, + "psi": -43.5242843360219, + "oldID": "730", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.4300573895731, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1463, - "sidechain_SER": 74, - "bm": 14.0, + "next": 1462, + "sidechain_SER": null, + "bm": 49.0, "xpr": false, - "prev": 1459, + "prev": 1460, "terminal_flag": false, - "phi": -121.609966904704, + "phi": -71.7286281041246, "chainID": "A", "sidechain_GLN": null, - "ome": 172.363747005329, + "ome": 179.419019171327, "chi2": null, "chi3": null, - "chi1": 67.7276932556606, + "chi1": null, "chi4": null, "chi5": null, - "a1": 119.982818764658, - "L4": 1.51319544974346, - "L5": 1.2410437201177, - "L2": 1.47458957822052, - "L3": 1.54438543625778, - "a7": 123.473575977431, - "L1": 1.32367390054064, + "a1": 120.862767636685, + "L4": 1.510413934547, + "L5": 1.23054652245004, + "L2": 1.44951359003949, + "L3": null, + "a7": 123.400120141443, + "L1": 1.33145679360634, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.959805605924, - "bs": 14.0, - "a2": 113.033068734438, - "a5": 122.620626313189, + "ss": "H", + "a3": 112.185154469022, + "bs": 0.0, + "a2": null, + "a5": 121.007555721003, "sidechain_LEU": null, - "chainIndex": 580, + "chainIndex": 729, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.360516656479 + "a4": null } }, { "pk": 1462, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.052084728436, - "psi": 114.498408425391, - "oldID": "365", - "bg": 0.0, + "a6": 116.659160942425, + "psi": -41.6846145149486, + "oldID": "731", + "bg": 63.26, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.3629077293333, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1464, + "next": 1463, "sidechain_SER": null, - "bm": 26.0, + "bm": 51.0, "xpr": false, - "prev": 1460, + "prev": 1461, "terminal_flag": false, - "phi": -72.6316801305621, + "phi": -60.3047311473289, "chainID": "A", "sidechain_GLN": null, - "ome": 179.594252744284, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.595278690397, - "L4": 1.51453938857375, - "L5": 1.23470243392884, - "L2": 1.4499113264467, - "L3": null, - "a7": 122.998710980752, - "L1": 1.33050894956189, - "sidechain_ARG": null, + "ome": 179.398770904854, + "chi2": 136.376785834574, + "chi3": -178.555532425547, + "chi1": -66.9035129217257, + "chi4": 168.49224303033, + "chi5": -0.0368547193897095, + "a1": 122.616656255624, + "L4": 1.51429449237994, + "L5": 1.21841903398967, + "L2": 1.45394251894774, + "L3": 1.52359837270002, + "a7": 122.550073625702, + "L1": 1.3266589999863, + "sidechain_ARG": 76, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.393717856481, - "bs": 0.0, - "a2": null, - "a5": 120.948901159999, + "ss": "H", + "a3": 109.988777797752, + "bs": 69.0, + "a2": 109.656571279207, + "a5": 120.788570847082, "sidechain_LEU": null, - "chainIndex": 364, + "chainIndex": 730, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.537253049385 } }, { "pk": 1463, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.884136443277, - "psi": 144.268828152107, - "oldID": "582", - "bg": 15.78, + "a6": 116.91382994131, + "psi": -39.7676150743003, + "oldID": "732", + "bg": 46.18, "sidechain_CYS": null, - "sidechain_ILE": 80, - "protein": "1H0H", - "zeta": 32.3485455925684, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.5790184923032, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1465, + "next": 1464, "sidechain_SER": null, - "bm": 14.0, + "bm": 49.0, "xpr": false, - "prev": 1461, + "prev": 1462, "terminal_flag": false, - "phi": -138.160971982709, + "phi": -57.7554013609357, "chainID": "A", "sidechain_GLN": null, - "ome": -178.781758513307, - "chi2": 164.68632757771, + "ome": -179.756243147632, + "chi2": 171.349404913701, "chi3": null, - "chi1": 57.7118804715055, + "chi1": -73.6364107311089, "chi4": null, "chi5": null, - "a1": 122.373716731106, - "L4": 1.52120709901302, - "L5": 1.24581330540809, - "L2": 1.45034533291875, - "L3": 1.56475493544393, - "a7": 123.049713048079, - "L1": 1.32075583577675, + "a1": 120.423059902291, + "L4": 1.5187610325708, + "L5": 1.22657332884908, + "L2": 1.44969601834664, + "L3": 1.5338883597807, + "a7": 122.550698609594, + "L1": 1.32243720867319, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.74933405091, - "bs": 15.0, - "a2": 113.761155475236, - "a5": 121.040827491757, - "sidechain_LEU": null, - "chainIndex": 581, + "ss": "H", + "a3": 109.854518108781, + "bs": 44.0, + "a2": 110.449990257913, + "a5": 120.53164103413, + "sidechain_LEU": 126, + "chainIndex": 731, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.338241677292 + "a4": 110.051402545855 } }, { "pk": 1464, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.179865928336, - "psi": 113.218796326826, - "oldID": "366", - "bg": 27.12, + "a6": 116.158256624193, + "psi": -39.7614835789265, + "oldID": "733", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.6332458596648, + "zeta": 34.1031698669658, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 99, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1466, + "next": 1465, "sidechain_SER": null, - "bm": 30.0, + "bm": 53.0, "xpr": false, - "prev": 1462, + "prev": 1463, "terminal_flag": false, - "phi": -111.77172622542, + "phi": -68.2189295089176, "chainID": "A", "sidechain_GLN": null, - "ome": 179.813812038941, + "ome": -179.243027153757, "chi2": null, "chi3": null, - "chi1": -174.5404245808, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.005860450144, - "L4": 1.53106340820919, - "L5": 1.22753369173989, - "L2": 1.46098277614801, - "L3": 1.55786373291158, - "a7": 121.67659384987, - "L1": 1.32402154805251, + "a1": 120.353694885684, + "L4": 1.51899477544604, + "L5": 1.22898918022095, + "L2": 1.45600502229699, + "L3": 1.51171556322738, + "a7": 123.285870573751, + "L1": 1.32819728604749, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 107.975482478162, - "bs": 28.0, - "a2": 110.577961076274, - "a5": 120.12798470209, + "ss": "H", + "a3": 111.739539097717, + "bs": 53.0, + "a2": 110.40355440129, + "a5": 120.555802564399, "sidechain_LEU": null, - "chainIndex": 365, + "chainIndex": 732, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.008650046353 + "a4": 109.894527671212 } }, { "pk": 1465, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.168785711818, - "psi": 122.167412983221, - "oldID": "583", - "bg": 16.43, + "a6": 116.970468579558, + "psi": -50.1905032213018, + "oldID": "734", + "bg": 64.91, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1466278176492, + "protein": "1TWF", + "zeta": 34.4886055322576, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1467, - "sidechain_SER": 75, - "bm": 14.0, + "next": 1466, + "sidechain_SER": null, + "bm": 57.0, "xpr": false, - "prev": 1463, + "prev": 1464, "terminal_flag": false, - "phi": -107.765581865114, + "phi": -68.7746975514666, "chainID": "A", "sidechain_GLN": null, - "ome": -176.33357563881, - "chi2": null, - "chi3": null, - "chi1": -56.6086441812277, + "ome": 178.913440200903, + "chi2": 172.124060581289, + "chi3": 56.7412021643131, + "chi1": -178.979104081962, "chi4": null, "chi5": null, - "a1": 121.354075409179, - "L4": 1.53868143431992, - "L5": 1.22303152770832, - "L2": 1.45443647970093, - "L3": 1.52185219833862, - "a7": 122.946283794684, - "L1": 1.32683231309217, + "a1": 122.102792098788, + "L4": 1.52450622302385, + "L5": 1.22805482244581, + "L2": 1.45503293764212, + "L3": 1.52767623399493, + "a7": 122.432263605528, + "L1": 1.32777107290538, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 109, "omep": null, - "ss": "E", - "a3": 112.046946657916, - "bs": 15.0, - "a2": 108.594035533196, - "a5": 120.840724280193, + "ss": "H", + "a3": 111.649439202674, + "bs": 65.0, + "a2": 109.751565845407, + "a5": 120.596528996578, "sidechain_LEU": null, - "chainIndex": 582, + "chainIndex": 733, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.179141872096 + "a4": 110.201408121661 } }, { "pk": 1466, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 75, + "aa": "v", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.262396297955, - "psi": 137.346054532952, - "oldID": "367", - "bg": 34.7, + "a6": 116.730363175843, + "psi": -42.5224506933884, + "oldID": "735", + "bg": 58.72, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.8422934811842, + "zeta": 34.7434978649463, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 111, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1468, + "next": 1467, "sidechain_SER": null, - "bm": 33.0, + "bm": 56.0, "xpr": false, - "prev": 1464, + "prev": 1465, "terminal_flag": false, - "phi": -61.4097983148773, + "phi": -50.7260112261759, "chainID": "A", "sidechain_GLN": null, - "ome": -179.62014179783, - "chi2": -39.1665704817657, - "chi3": 41.6262086562107, - "chi1": 20.7523631521286, - "chi4": -29.7418660208471, + "ome": -179.243474834363, + "chi2": null, + "chi3": null, + "chi1": 172.303343329376, + "chi4": null, "chi5": null, - "a1": 120.869895563632, - "L4": 1.51842152651424, - "L5": 1.23212441887004, - "L2": 1.46366737035037, - "L3": 1.52863803447915, - "a7": 123.305089152831, - "L1": 1.34633872541316, + "a1": 120.833533578524, + "L4": 1.53562262600303, + "L5": 1.22523326741351, + "L2": 1.45631464964485, + "L3": 1.56083013074593, + "a7": 122.885627654279, + "L1": 1.32595531373679, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -11.447592519513, - "ss": "E", - "a3": 113.819046160021, - "bs": 34.0, - "a2": 103.235824393463, - "a5": 121.430077215176, + "omep": null, + "ss": "H", + "a3": 110.053039333498, + "bs": 57.0, + "a2": 110.946854342293, + "a5": 120.369260479974, "sidechain_LEU": null, - "chainIndex": 366, + "chainIndex": 734, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.753686717723 + "a4": 109.429124279039 } }, { @@ -152261,322 +140157,322 @@ "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 62, - "chain": "1H0HA", + "sidechain_ASN": 57, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.31888339223, - "psi": -173.565078156939, - "oldID": "584", - "bg": 14.67, + "a6": 117.658366730512, + "psi": -39.7199751772568, + "oldID": "736", + "bg": 61.2, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.1191065882084, + "protein": "1TWF", + "zeta": 34.4452476809546, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1469, + "next": 1468, "sidechain_SER": null, - "bm": 14.0, + "bm": 56.0, "xpr": false, - "prev": 1465, + "prev": 1466, "terminal_flag": false, - "phi": -77.6186910821896, + "phi": -62.6625588485695, "chainID": "A", "sidechain_GLN": null, - "ome": -176.26037750726, - "chi2": -17.6284869465066, + "ome": -179.513584602969, + "chi2": 61.7863538537599, "chi3": null, - "chi1": 89.6422429955194, + "chi1": 177.790416079822, "chi4": null, "chi5": null, - "a1": 121.479545691606, - "L4": 1.53945996945187, - "L5": 1.25955486565498, - "L2": 1.44897459910676, - "L3": 1.54397392836592, - "a7": 121.763221864451, - "L1": 1.32842780864496, + "a1": 123.08300452239, + "L4": 1.52878178467926, + "L5": 1.22733513150921, + "L2": 1.46026511348742, + "L3": 1.53828570971167, + "a7": 121.76277842679, + "L1": 1.33197911635514, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 115.470873921863, - "bs": 14.0, - "a2": 110.084851917186, - "a5": 121.890816031826, + "ss": "H", + "a3": 114.674631860475, + "bs": 60.0, + "a2": 110.39373345312, + "a5": 120.572152382628, "sidechain_LEU": null, - "chainIndex": 583, + "chainIndex": 735, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 114.171686842205 + "a4": 108.693129806526 } }, { "pk": 1468, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.469471094593, - "psi": -45.3826753612338, - "oldID": "368", - "bg": 47.96, + "a6": 116.028298697298, + "psi": 135.374426776471, + "oldID": "737", + "bg": 56.25, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.0351029898093, + "zeta": 35.2691192649449, "sidechain_PHE": null, - "sidechain_LYS": 99, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1470, + "next": 1469, "sidechain_SER": null, - "bm": 36.0, + "bm": 53.0, "xpr": false, - "prev": 1466, + "prev": 1467, "terminal_flag": false, - "phi": -41.4591013219025, + "phi": -60.802238458158, "chainID": "A", "sidechain_GLN": null, - "ome": -179.652499879106, - "chi2": 168.960592924211, - "chi3": -73.6477147120051, - "chi1": -166.299793292442, - "chi4": 70.426703506785, + "ome": -179.377188399051, + "chi2": 174.233268639874, + "chi3": null, + "chi1": -51.9462652304569, + "chi4": null, "chi5": null, - "a1": 122.584525001039, - "L4": 1.53811720872233, - "L5": 1.23423375844975, - "L2": 1.4612696120274, - "L3": 1.52975421608967, - "a7": 122.353993735466, - "L1": 1.32812802419818, + "a1": 120.01611633782, + "L4": 1.51913186288428, + "L5": 1.23170537156195, + "L2": 1.45552456591731, + "L3": 1.52500721445914, + "a7": 123.421170709031, + "L1": 1.3240083455808, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.575472341925, - "bs": 50.0, - "a2": 109.060011737235, - "a5": 120.164685253048, - "sidechain_LEU": null, - "chainIndex": 367, + "ss": "S", + "a3": 111.04995894611, + "bs": 55.0, + "a2": 110.167318874599, + "a5": 120.537660896529, + "sidechain_LEU": 127, + "chainIndex": 736, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.470880508408 + "a4": 108.841658067729 } }, { "pk": 1469, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.251627914135, - "psi": -30.4208645474187, - "oldID": "585", - "bg": 14.76, + "a6": 116.793473095489, + "psi": 171.355180650227, + "oldID": "738", + "bg": 57.17, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3496097390776, + "protein": "1TWF", + "zeta": 35.6347166572894, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 89, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1471, - "sidechain_SER": 76, - "bm": 15.0, + "next": 1470, + "sidechain_SER": null, + "bm": 52.0, "xpr": false, - "prev": 1467, + "prev": 1468, "terminal_flag": false, - "phi": -65.0668778375903, + "phi": -81.3210013439829, "chainID": "A", "sidechain_GLN": null, - "ome": 178.649520853538, - "chi2": null, - "chi3": null, - "chi1": -162.990392310542, - "chi4": null, + "ome": 179.383701196216, + "chi2": -162.531617769294, + "chi3": -165.812256832732, + "chi1": -44.5936959183016, + "chi4": 73.3662652965207, "chi5": null, - "a1": 119.033741092334, - "L4": 1.52101270192463, - "L5": 1.24002396752405, - "L2": 1.46207145472935, - "L3": 1.52991484970227, - "a7": 123.427511684959, - "L1": 1.32340406063669, + "a1": 122.185741134129, + "L4": 1.51903531730298, + "L5": 1.22439773764592, + "L2": 1.46260506487805, + "L3": 1.52245298218033, + "a7": 122.363505772514, + "L1": 1.32940591984117, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.345974708388, - "bs": 14.0, - "a2": 110.628620084988, - "a5": 120.312165929369, + "ss": "-", + "a3": 112.772077690687, + "bs": 59.0, + "a2": 110.272593000755, + "a5": 120.827631092122, "sidechain_LEU": null, - "chainIndex": 584, + "chainIndex": 737, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.290358714115 + "a4": 107.652543735848 } }, { "pk": 1470, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.106554219396, - "psi": -41.8116528356339, - "oldID": "369", - "bg": 40.63, + "sidechain_ASP": 95, + "a6": 115.233005894764, + "psi": -5.07643326310404, + "oldID": "739", + "bg": 51.87, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4955960546959, + "zeta": 33.8447383214791, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1472, - "sidechain_SER": 77, - "bm": 34.0, + "next": 1471, + "sidechain_SER": null, + "bm": 50.0, "xpr": false, - "prev": 1468, + "prev": 1469, "terminal_flag": false, - "phi": -57.6415468175968, + "phi": -71.2793041829975, "chainID": "A", "sidechain_GLN": null, - "ome": 178.853064593793, - "chi2": null, + "ome": 179.192077688122, + "chi2": -22.1260123259419, "chi3": null, - "chi1": 79.078032742304, + "chi1": -60.7708599811909, "chi4": null, "chi5": null, - "a1": 121.120525118522, - "L4": 1.52443006420122, - "L5": 1.23272918391564, - "L2": 1.45659347453349, - "L3": 1.52628942228036, - "a7": 123.446783095965, - "L1": 1.33220701040556, + "a1": 120.283593581462, + "L4": 1.51125830326577, + "L5": 1.23245281212037, + "L2": 1.45301691985131, + "L3": 1.52447776282656, + "a7": 123.915829255242, + "L1": 1.3249380868226, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.721978399823, - "bs": 39.0, - "a2": 110.652022692902, - "a5": 120.430766230996, + "ss": "T", + "a3": 111.275650402089, + "bs": 52.0, + "a2": 110.089800303572, + "a5": 120.839725950074, "sidechain_LEU": null, - "chainIndex": 368, + "chainIndex": 738, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.917692936964 + "a4": 110.93157164314 } }, { "pk": 1471, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.361281193558, - "psi": 10.9896477479964, - "oldID": "586", - "bg": 0.0, + "a6": 116.001552094479, + "psi": -28.2614601338903, + "oldID": "740", + "bg": 53.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 36.4874561806119, + "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1474, + "next": 1472, "sidechain_SER": null, - "bm": 14.0, + "bm": 44.0, "xpr": false, - "prev": 1469, + "prev": 1470, "terminal_flag": false, - "phi": -83.3125814205322, + "phi": -88.6189017320196, "chainID": "A", "sidechain_GLN": null, - "ome": -176.013303448691, - "chi2": null, + "ome": -179.765931212674, + "chi2": 56.8118948319928, "chi3": null, - "chi1": null, + "chi1": -61.0241670903696, "chi4": null, "chi5": null, - "a1": 122.787316829277, - "L4": 1.51883538879327, - "L5": 1.20711376147389, - "L2": 1.46371495781258, - "L3": null, - "a7": 123.811538945451, - "L1": 1.3218245290259, + "a1": 123.43745560742, + "L4": 1.51558022651476, + "L5": 1.22896412560953, + "L2": 1.4617290505425, + "L3": 1.52593805666717, + "a7": 123.141037734657, + "L1": 1.32879818059531, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 114.392044871666, - "bs": 0.0, - "a2": null, - "a5": 119.802366107879, - "sidechain_LEU": null, - "chainIndex": 585, + "a3": 108.505228735148, + "bs": 51.0, + "a2": 110.836623076794, + "a5": 120.798298411779, + "sidechain_LEU": 128, + "chainIndex": 739, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 106.959991097694 } }, { "pk": 1472, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 58, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.554912280378, - "psi": -38.8018703778066, - "oldID": "370", - "bg": 29.07, + "a6": 116.19484944526, + "psi": 117.791583198909, + "oldID": "741", + "bg": 32.17, "sidechain_CYS": null, - "sidechain_ILE": 81, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.5626897958909, + "zeta": 34.6700346158386, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -152585,162 +140481,162 @@ "sidechain_TRP": null, "next": 1473, "sidechain_SER": null, - "bm": 33.0, + "bm": 34.0, "xpr": false, - "prev": 1470, + "prev": 1471, "terminal_flag": false, - "phi": -72.8000839527391, + "phi": -53.4252006585432, "chainID": "A", "sidechain_GLN": null, - "ome": 178.159836052702, - "chi2": -176.489520546108, + "ome": -177.796333038937, + "chi2": 85.1519178871398, "chi3": null, - "chi1": -70.0130903641591, + "chi1": -170.990264803625, "chi4": null, "chi5": null, - "a1": 121.789000314126, - "L4": 1.53334138400824, - "L5": 1.24063322283846, - "L2": 1.44871244080044, - "L3": 1.56055779494045, - "a7": 121.996665419215, - "L1": 1.33238502059142, + "a1": 120.889404555334, + "L4": 1.52957870411944, + "L5": 1.22360303304107, + "L2": 1.4531214831114, + "L3": 1.52792371170096, + "a7": 122.941075482221, + "L1": 1.32885785714324, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.57245925007, - "bs": 27.0, - "a2": 111.779949503351, - "a5": 120.440471776896, + "ss": "-", + "a3": 109.453538758513, + "bs": 32.0, + "a2": 110.162217189368, + "a5": 120.863317002571, "sidechain_LEU": null, - "chainIndex": 369, + "chainIndex": 740, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.501216852992 + "a4": 110.164030832124 } }, { "pk": 1473, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 59, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.25232456297, - "psi": -16.8114757416426, - "oldID": "371", - "bg": 0.0, + "a6": 116.184072447855, + "psi": -33.4034855175865, + "oldID": "742", + "bg": 32.9, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.2991682900095, + "zeta": 35.3191445712191, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1475, + "next": 1474, "sidechain_SER": null, - "bm": 35.0, + "bm": 34.0, "xpr": false, "prev": 1472, "terminal_flag": false, - "phi": -66.5355263957119, + "phi": -61.1829205951172, "chainID": "A", "sidechain_GLN": null, - "ome": 178.865337118489, - "chi2": null, + "ome": 179.543694828309, + "chi2": -72.2079776943427, "chi3": null, - "chi1": null, + "chi1": -54.163533349907, "chi4": null, "chi5": null, - "a1": 118.468054921524, - "L4": 1.53482833818013, - "L5": 1.22711636012469, - "L2": 1.45641861675457, - "L3": 1.53154936738632, - "a7": 121.782102054358, - "L1": 1.33135829571615, + "a1": 122.80564052416, + "L4": 1.5236998122738, + "L5": 1.23343870800349, + "L2": 1.46086738518658, + "L3": 1.5173364467833, + "a7": 122.920728357382, + "L1": 1.32805970760962, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 110.554048584492, - "bs": 34.0, - "a2": 111.487738147605, - "a5": 119.952099268501, + "a3": 114.867363530774, + "bs": 32.0, + "a2": 109.538414898633, + "a5": 120.874598829596, "sidechain_LEU": null, - "chainIndex": 370, + "chainIndex": 741, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.458829250231 + "a4": 108.139025284908 } }, { "pk": 1474, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.511045598535, - "psi": 19.1279443879266, - "oldID": "587", - "bg": 13.94, + "a6": 115.799034917391, + "psi": -48.040918377348, + "oldID": "743", + "bg": 25.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.1414874201313, + "protein": "1TWF", + "zeta": 34.6652431719495, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 112, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1476, + "next": 1475, "sidechain_SER": null, - "bm": 13.0, + "bm": 31.0, "xpr": false, - "prev": 1471, + "prev": 1473, "terminal_flag": false, - "phi": 68.2752755599478, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.20193996753, - "chi2": 151.209192212199, - "chi3": -82.0063848336745, - "chi1": -61.0272805589521, - "chi4": 108.146349318962, - "chi5": -2.05123964319202, - "a1": 126.395674709712, - "L4": 1.53929625619792, - "L5": 1.2392412899322, - "L2": 1.45732474734363, - "L3": 1.5398943282003, - "a7": 121.971820561122, - "L1": 1.33037917286709, - "sidechain_ARG": 71, + "phi": -67.0905629322538, + "chainID": "A", + "sidechain_GLN": null, + "ome": -179.432018220229, + "chi2": null, + "chi3": null, + "chi1": 164.029083904167, + "chi4": null, + "chi5": null, + "a1": 119.305594774523, + "L4": 1.51082697431248, + "L5": 1.22511032228438, + "L2": 1.4372013627476, + "L3": 1.53094481509377, + "a7": 123.296730402198, + "L1": 1.32698884586488, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.48874983773, - "bs": 15.0, - "a2": 112.41997556832, - "a5": 120.50578257474, + "ss": "H", + "a3": 106.25347871545, + "bs": 24.0, + "a2": 112.653098644993, + "a5": 120.898131456127, "sidechain_LEU": null, - "chainIndex": 586, + "chainIndex": 742, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.469620424616 + "a4": 108.776543984806 } }, { @@ -152752,563 +140648,563 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.926942199211, - "psi": -13.0415158766458, - "oldID": "372", - "bg": 44.46, + "a6": 116.790280126994, + "psi": -33.3277477628701, + "oldID": "744", + "bg": 42.25, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7856925737871, + "zeta": 34.2158643123111, "sidechain_PHE": null, - "sidechain_LYS": 100, + "sidechain_LYS": 90, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1477, + "next": 1476, "sidechain_SER": null, - "bm": 41.0, + "bm": 30.0, "xpr": false, - "prev": 1473, + "prev": 1474, "terminal_flag": false, - "phi": -83.6889452059047, + "phi": -62.079919779272, "chainID": "A", "sidechain_GLN": null, - "ome": -179.000158527316, - "chi2": 162.07787988679, - "chi3": 163.198163820721, - "chi1": -76.3637119887592, - "chi4": 175.094992112584, + "ome": 179.163254087707, + "chi2": -173.581472776566, + "chi3": 174.374289137062, + "chi1": -176.410768385263, + "chi4": 135.724923980295, "chi5": null, - "a1": 119.587060055356, - "L4": 1.52135476313888, - "L5": 1.22475969247924, - "L2": 1.47081202366216, - "L3": 1.52418451860477, - "a7": 122.951772490326, - "L1": 1.33263513618726, + "a1": 121.459343859133, + "L4": 1.51711439738449, + "L5": 1.22911565214105, + "L2": 1.44835201934228, + "L3": 1.52510409040917, + "a7": 122.741493453226, + "L1": 1.32759563925203, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.084164428879, - "bs": 46.0, - "a2": 111.635842616447, - "a5": 120.120946240909, + "ss": "H", + "a3": 109.003369936312, + "bs": 44.0, + "a2": 111.627603810143, + "a5": 120.461628434658, "sidechain_LEU": null, - "chainIndex": 371, + "chainIndex": 743, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.608897990244 + "a4": 109.550858484327 } }, { "pk": 1476, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.920545881656, - "psi": 116.778122052839, - "oldID": "588", - "bg": 14.04, + "a6": 118.455545131111, + "psi": -45.9083288198416, + "oldID": "745", + "bg": 37.09, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7210672626997, + "protein": "1TWF", + "zeta": 33.3686768648854, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 23, - "next": 1478, + "sidechain_TRP": null, + "next": 1477, "sidechain_SER": null, - "bm": 14.0, + "bm": 28.0, "xpr": false, - "prev": 1474, + "prev": 1475, "terminal_flag": false, - "phi": -79.2275410812269, + "phi": -65.3903943588901, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.524282267843, - "chi2": 25.0685279362493, - "chi3": null, - "chi1": -67.5513848477749, + "sidechain_GLN": 62, + "ome": -179.508119879033, + "chi2": -172.579826158204, + "chi3": -83.6213136485127, + "chi1": -73.0624002126954, "chi4": null, "chi5": null, - "a1": 119.464642826266, - "L4": 1.51617887933278, - "L5": 1.22703679153704, - "L2": 1.465344383409, - "L3": 1.53681551310434, - "a7": 123.149128441458, - "L1": 1.32964569652469, + "a1": 119.861469317126, + "L4": 1.52513309708631, + "L5": 1.21755033179035, + "L2": 1.44907832338923, + "L3": 1.53198489979243, + "a7": 121.731909780033, + "L1": 1.32676214781631, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.815827305353, - "bs": 14.0, - "a2": 112.858339695822, - "a5": 120.92691118198, + "ss": "H", + "a3": 111.922402494177, + "bs": 37.0, + "a2": 111.555582819867, + "a5": 119.807636844673, "sidechain_LEU": null, - "chainIndex": 587, + "chainIndex": 744, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.616743355832 + "a4": 109.925501963343 } }, { "pk": 1477, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.863113846211, - "psi": -40.1627578907791, - "oldID": "373", - "bg": 40.0, + "a6": 115.643779699454, + "psi": -30.8863436343533, + "oldID": "746", + "bg": 28.81, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9661080502254, + "zeta": 32.9605529004456, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 74, + "sidechain_MET": 37, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1479, + "next": 1478, "sidechain_SER": null, - "bm": 40.0, + "bm": 27.0, "xpr": false, - "prev": 1475, + "prev": 1476, "terminal_flag": false, - "phi": -95.6882649068392, + "phi": -61.393934838418, "chainID": "A", "sidechain_GLN": null, - "ome": 179.705985445379, - "chi2": null, - "chi3": null, - "chi1": -47.6373771566596, + "ome": 178.519906603883, + "chi2": -171.061443794479, + "chi3": -94.5475570621103, + "chi1": -67.6422358386017, "chi4": null, "chi5": null, - "a1": 121.039764636674, - "L4": 1.52932629066551, - "L5": 1.22844965355081, - "L2": 1.45481009978183, - "L3": 1.52615266924852, - "a7": 122.838377875533, - "L1": 1.32611810693916, + "a1": 119.487228106582, + "L4": 1.51777817081627, + "L5": 1.23190418379274, + "L2": 1.45098573432207, + "L3": 1.52081110835959, + "a7": 124.18316183014, + "L1": 1.32774392260435, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.400835866332, - "bs": 41.0, - "a2": 110.213363204391, - "a5": 121.298508260746, + "ss": "H", + "a3": 113.511248299556, + "bs": 28.0, + "a2": 110.844820645938, + "a5": 120.164851059446, "sidechain_LEU": null, - "chainIndex": 372, + "chainIndex": 745, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.791574224396 + "a4": 110.534570972097 } }, { "pk": 1478, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.317471186174, - "psi": 114.526526789708, - "oldID": "589", - "bg": 14.96, + "a6": 116.970732696341, + "psi": -38.4396106311489, + "oldID": "747", + "bg": 33.33, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0731901432394, + "protein": "1TWF", + "zeta": 34.7817434180994, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 37, + "sidechain_VAL": 113, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1480, + "next": 1479, "sidechain_SER": null, - "bm": 14.0, + "bm": 36.0, "xpr": false, - "prev": 1476, + "prev": 1477, "terminal_flag": false, - "phi": -88.5195779696084, + "phi": -71.8433269654964, "chainID": "A", "sidechain_GLN": null, - "ome": -174.34087493549, - "chi2": -161.223556546587, - "chi3": 171.047169927776, - "chi1": 174.10183444485, + "ome": -179.695162943523, + "chi2": null, + "chi3": null, + "chi1": 168.494641241266, "chi4": null, "chi5": null, - "a1": 121.850657769568, - "L4": 1.51982519907084, - "L5": 1.25041826610004, - "L2": 1.43955608409988, - "L3": 1.52718906663776, - "a7": 123.515585037077, - "L1": 1.32364101108088, + "a1": 123.393760730554, + "L4": 1.53424022197431, + "L5": 1.23686161201724, + "L2": 1.44696337593534, + "L3": 1.54507379717009, + "a7": 122.015304115422, + "L1": 1.33055336053932, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.609432970653, - "bs": 15.0, - "a2": 110.414446593936, - "a5": 121.140358960784, + "ss": "H", + "a3": 110.624825381045, + "bs": 33.0, + "a2": 110.226714585605, + "a5": 121.006868726226, "sidechain_LEU": null, - "chainIndex": 588, + "chainIndex": 746, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.76841154174 + "a4": 109.818801265289 } }, { "pk": 1479, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.843218438617, - "psi": 141.12882323425, - "oldID": "374", - "bg": 38.64, + "a6": 116.004630531187, + "psi": -31.2249070402197, + "oldID": "748", + "bg": 56.75, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9403058364904, + "zeta": 34.3431393006028, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 38, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1481, + "next": 1480, "sidechain_SER": null, - "bm": 38.0, + "bm": 45.0, "xpr": false, - "prev": 1477, + "prev": 1478, "terminal_flag": false, - "phi": -80.0301880352211, + "phi": -69.5234979909264, "chainID": "A", "sidechain_GLN": null, - "ome": 178.889780879697, - "chi2": -177.197577291679, - "chi3": null, - "chi1": -45.7591249369991, + "ome": 179.612612584145, + "chi2": -164.331501990241, + "chi3": -103.332223365891, + "chi1": -65.0504910452558, "chi4": null, "chi5": null, - "a1": 122.001711676267, - "L4": 1.53872793442946, - "L5": 1.23320952210312, - "L2": 1.44990163916392, - "L3": 1.53418048180116, - "a7": 122.446266263742, - "L1": 1.32539519133292, + "a1": 120.378835898861, + "L4": 1.51767137073019, + "L5": 1.22876054883428, + "L2": 1.46080829358902, + "L3": 1.52894565872827, + "a7": 123.011103182806, + "L1": 1.32847232859624, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.236866121469, - "bs": 38.0, - "a2": 108.582218678188, - "a5": 120.695520629577, - "sidechain_LEU": 119, - "chainIndex": 373, + "ss": "H", + "a3": 112.285862154505, + "bs": 59.0, + "a2": 110.648830767878, + "a5": 120.983382469264, + "sidechain_LEU": null, + "chainIndex": 747, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.182657041593 + "a4": 109.313397245055 } }, { "pk": 1480, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.051908094111, - "psi": 125.262807246482, - "oldID": "590", - "bg": 15.0, + "a6": 116.507464193807, + "psi": -18.8232165874372, + "oldID": "749", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9072690168621, + "protein": "1TWF", + "zeta": 34.5245323537987, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1482, + "next": 1481, "sidechain_SER": null, - "bm": 13.0, + "bm": 42.0, "xpr": false, - "prev": 1478, + "prev": 1479, "terminal_flag": false, - "phi": -115.508878583967, + "phi": -83.2498971532178, "chainID": "A", - "sidechain_GLN": 54, - "ome": 179.30978345149, - "chi2": -164.1539079978, - "chi3": 83.185124952509, - "chi1": -55.0347202630964, + "sidechain_GLN": null, + "ome": 179.990696058177, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.563239334167, - "L4": 1.52962855311325, - "L5": 1.2374922839218, - "L2": 1.45302783210146, - "L3": 1.53082020853675, - "a7": 123.798247507303, - "L1": 1.32390476114903, + "a1": 121.07107473786, + "L4": 1.52791018481291, + "L5": 1.22705106999925, + "L2": 1.45053752416584, + "L3": 1.51248822096124, + "a7": 122.966116269264, + "L1": 1.32352543553894, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 115.501419454725, - "bs": 14.0, - "a2": 109.433933789532, - "a5": 120.102774971038, + "ss": "H", + "a3": 110.21650756858, + "bs": 44.0, + "a2": 109.898812232492, + "a5": 120.52483631186, "sidechain_LEU": null, - "chainIndex": 589, + "chainIndex": 748, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.744881810407 + "a4": 110.258531388004 } }, { "pk": 1481, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.45723231601, - "psi": 166.002296925038, - "oldID": "375", - "bg": 36.17, + "a6": 116.357511966517, + "psi": 18.8587353850105, + "oldID": "750", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7214541988624, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 75, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1484, + "next": 1482, "sidechain_SER": null, - "bm": 37.0, + "bm": 47.0, "xpr": false, - "prev": 1479, + "prev": 1480, "terminal_flag": false, - "phi": -133.351270743525, + "phi": 85.1105092952598, "chainID": "A", "sidechain_GLN": null, - "ome": 178.047907242262, + "ome": 179.968198991016, "chi2": null, "chi3": null, - "chi1": 63.9120500126934, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.60609646873, - "L4": 1.53102974558135, - "L5": 1.23271908896558, - "L2": 1.46700867421999, - "L3": 1.58148214078837, - "a7": 123.277226430316, - "L1": 1.33225296887862, + "a1": 120.759341004703, + "L4": 1.51762460834539, + "L5": 1.22575446697474, + "L2": 1.45176512203362, + "L3": null, + "a7": 122.425958710962, + "L1": 1.33079916364038, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 114.357121490191, - "bs": 35.0, - "a2": 113.12742375849, - "a5": 122.24472468115, + "ss": "T", + "a3": 113.321319735603, + "bs": 0.0, + "a2": null, + "a5": 121.215804368677, "sidechain_LEU": null, - "chainIndex": 374, + "chainIndex": 749, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.020199648002 + "a4": null } }, { "pk": 1482, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.822587921696, - "psi": 132.016826314033, - "oldID": "591", - "bg": 15.06, + "a6": 115.8752004005, + "psi": 94.9743437538257, + "oldID": "751", + "bg": 53.47, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.339664400393, + "protein": "1TWF", + "zeta": 34.6816571517057, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 24, + "sidechain_TRP": null, "next": 1483, - "sidechain_SER": null, - "bm": 14.0, + "sidechain_SER": 69, + "bm": 54.0, "xpr": false, - "prev": 1480, + "prev": 1481, "terminal_flag": false, - "phi": -79.8156797906472, + "phi": -111.995044464749, "chainID": "A", "sidechain_GLN": null, - "ome": 179.563422759305, - "chi2": -98.9611678607252, + "ome": -178.824385132273, + "chi2": null, "chi3": null, - "chi1": -156.089251957414, + "chi1": 39.0330592080966, "chi4": null, "chi5": null, - "a1": 122.248330014182, - "L4": 1.52926280518741, - "L5": 1.21179296438956, - "L2": 1.4735623420548, - "L3": 1.5366048158051, - "a7": 123.15835508541, - "L1": 1.33800139203352, + "a1": 121.417845991344, + "L4": 1.52122066866342, + "L5": 1.22103257490622, + "L2": 1.45040840665353, + "L3": 1.52366198188162, + "a7": 122.981131582621, + "L1": 1.32202304639002, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.760932100951, - "bs": 15.0, - "a2": 111.375050970457, - "a5": 120.019038996913, + "ss": "S", + "a3": 109.246818631312, + "bs": 54.0, + "a2": 109.169209189267, + "a5": 121.133907104841, "sidechain_LEU": null, - "chainIndex": 590, + "chainIndex": 750, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.740346293136 + "a4": 111.219082957021 } }, { "pk": 1483, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.132848875617, - "psi": 156.974887540415, - "oldID": "592", - "bg": 18.43, + "a6": 114.0701235095, + "psi": 140.765035156686, + "oldID": "752", + "bg": 61.9, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.7229946297772, + "protein": "1TWF", + "zeta": 32.9677456317736, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 91, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1486, + "next": 1484, "sidechain_SER": null, - "bm": 15.0, + "bm": 54.0, "xpr": false, "prev": 1482, "terminal_flag": false, - "phi": -119.153087017998, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.908648325003, - "chi2": -164.385444699295, - "chi3": -73.7992541096954, - "chi1": -56.6506955191191, - "chi4": -155.429694721146, - "chi5": 0.631415881442616, - "a1": 123.134652828455, - "L4": 1.4972521073281, - "L5": 1.22164978629883, - "L2": 1.46793091624463, - "L3": 1.52684717750243, - "a7": 124.103391149591, - "L1": 1.32655555534936, - "sidechain_ARG": 72, + "phi": 66.5968955095283, + "chainID": "A", + "sidechain_GLN": null, + "ome": 179.634616856421, + "chi2": 65.1803302894886, + "chi3": -175.612475465667, + "chi1": -112.437722232208, + "chi4": -58.1258789142361, + "chi5": null, + "a1": 122.85506235545, + "L4": 1.52392097848025, + "L5": 1.23776317853673, + "L2": 1.45953271745212, + "L3": 1.53793413598125, + "a7": 124.219032919457, + "L1": 1.32212807662828, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.429090763467, - "bs": 16.0, - "a2": 111.011215981123, - "a5": 119.691094060266, + "ss": "S", + "a3": 115.463586598275, + "bs": 64.0, + "a2": 111.299419791678, + "a5": 121.710713115775, "sidechain_LEU": null, - "chainIndex": 591, + "chainIndex": 751, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 104.772977931281 + "a4": 109.417213465607 } }, { "pk": 1484, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.677654900712, - "psi": 127.393077367713, - "oldID": "376", - "bg": 41.8, + "a6": 116.353838912729, + "psi": 156.769598861219, + "oldID": "753", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.097319565353, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -153317,1260 +141213,1260 @@ "sidechain_TRP": null, "next": 1485, "sidechain_SER": null, - "bm": 39.0, + "bm": 48.0, "xpr": false, - "prev": 1481, + "prev": 1483, "terminal_flag": false, - "phi": -135.516770813554, + "phi": 90.6553376090298, "chainID": "A", "sidechain_GLN": null, - "ome": 179.799244072275, - "chi2": 65.0631630789852, + "ome": 178.321440097795, + "chi2": null, "chi3": null, - "chi1": 177.776435165288, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.989932231129, - "L4": 1.52458804318475, - "L5": 1.23301420086736, - "L2": 1.45055387791657, - "L3": 1.53024179951153, - "a7": 122.050628710635, - "L1": 1.32561674584653, + "a1": 122.474810931316, + "L4": 1.52076505225381, + "L5": 1.22013198473826, + "L2": 1.44909542881287, + "L3": null, + "a7": 122.588413476154, + "L1": 1.33364764457041, "sidechain_ARG": null, - "sidechain_TYR": 46, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 106.500324090171, - "bs": 41.0, - "a2": 110.747945589292, - "a5": 120.257941621806, + "ss": "-", + "a3": 115.097243606791, + "bs": 0.0, + "a2": null, + "a5": 121.047048067724, "sidechain_LEU": null, - "chainIndex": 375, + "chainIndex": 752, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.7866867809 + "a4": null } }, { "pk": 1485, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 76, + "aa": "s", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.00988967319, - "psi": 104.690301841167, - "oldID": "377", - "bg": 40.47, + "a6": 115.780812586447, + "psi": 178.455496707614, + "oldID": "754", + "bg": 52.43, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.7122689342463, + "zeta": 34.4803181023707, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1487, - "sidechain_SER": null, - "bm": 39.0, + "next": 1486, + "sidechain_SER": 70, + "bm": 46.0, "xpr": false, "prev": 1484, "terminal_flag": false, - "phi": -78.8481768715051, + "phi": -160.295347867944, "chainID": "A", "sidechain_GLN": null, - "ome": -179.423071066492, - "chi2": -45.7743576593538, - "chi3": 38.2548725980669, - "chi1": 35.2712710830355, - "chi4": -16.1496505190553, + "ome": -179.412015420301, + "chi2": null, + "chi3": null, + "chi1": 73.1224484433089, + "chi4": null, "chi5": null, - "a1": 122.076635507421, - "L4": 1.52706657619625, - "L5": 1.22265604828831, - "L2": 1.46048313752534, - "L3": 1.52557240074327, - "a7": 122.590568243772, - "L1": 1.34271197829832, + "a1": 122.333772475151, + "L4": 1.51995912868839, + "L5": 1.23039824813267, + "L2": 1.45530021933876, + "L3": 1.53617695208458, + "a7": 123.57288797843, + "L1": 1.32565898435541, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -9.19553904446826, - "ss": "E", - "a3": 109.754557693137, - "bs": 39.0, - "a2": 102.48669787562, - "a5": 120.396354580411, + "omep": null, + "ss": "-", + "a3": 107.408507735285, + "bs": 50.0, + "a2": 111.71324024835, + "a5": 120.646248794921, "sidechain_LEU": null, - "chainIndex": 376, + "chainIndex": 753, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.048837792375 + "a4": 109.598921601313 } }, { "pk": 1486, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.943174758468, - "psi": 158.979855476544, - "oldID": "593", - "bg": 16.85, + "a6": 116.345814124824, + "psi": -59.7487600773971, + "oldID": "755", + "bg": 51.43, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.6153358495168, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 34.5119982908489, + "sidechain_PHE": 58, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1488, + "next": 1487, "sidechain_SER": null, - "bm": 15.0, + "bm": 46.0, "xpr": false, - "prev": 1483, + "prev": 1485, "terminal_flag": false, - "phi": -124.00564215916, + "phi": -52.0494410304707, "chainID": "A", "sidechain_GLN": null, - "ome": 175.127971276664, - "chi2": -88.1608526356121, + "ome": -179.027986272073, + "chi2": 61.2924179755875, "chi3": null, - "chi1": -56.6823434555618, + "chi1": 171.874542275547, "chi4": null, "chi5": null, - "a1": 122.269605692035, - "L4": 1.52302458636034, - "L5": 1.23540175696054, - "L2": 1.46720329133705, - "L3": 1.53212086761064, - "a7": 122.161942612157, - "L1": 1.33148626862445, + "a1": 122.861928475618, + "L4": 1.51736141981888, + "L5": 1.23069831026231, + "L2": 1.46101530800671, + "L3": 1.53178071926419, + "a7": 123.053869190452, + "L1": 1.33097224573209, "sidechain_ARG": null, - "sidechain_TYR": 47, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 114.222431991459, - "bs": 17.0, - "a2": 109.583735205579, - "a5": 121.866444253184, + "ss": "H", + "a3": 113.902073852758, + "bs": 51.0, + "a2": 109.936415149016, + "a5": 120.594788748669, "sidechain_LEU": null, - "chainIndex": 592, + "chainIndex": 754, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.022065239137 + "a4": 109.31227646321 } }, { "pk": 1487, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.463740154353, - "psi": 134.847576133078, - "oldID": "378", - "bg": 39.08, + "a6": 116.442040918481, + "psi": -34.9863310876887, + "oldID": "756", + "bg": 47.64, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 87, "protein": "1TWF", - "zeta": 34.3905304016191, + "zeta": 33.4793906066162, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1489, + "next": 1488, "sidechain_SER": null, - "bm": 39.0, + "bm": 45.0, "xpr": false, - "prev": 1485, + "prev": 1486, "terminal_flag": false, - "phi": -106.318085971761, + "phi": -45.3448775878691, "chainID": "A", "sidechain_GLN": null, - "ome": -179.446496404793, - "chi2": -176.727501887996, - "chi3": -43.9235206151271, - "chi1": -156.601804890483, + "ome": 179.805163824304, + "chi2": -52.4877223184804, + "chi3": null, + "chi1": -132.758970683162, "chi4": null, "chi5": null, - "a1": 121.673858020142, - "L4": 1.53387891687302, - "L5": 1.22699636508379, - "L2": 1.46582633745099, - "L3": 1.53841928929401, - "a7": 122.297941554485, - "L1": 1.33016339159081, + "a1": 121.498046839723, + "L4": 1.54078309256959, + "L5": 1.23725702002525, + "L2": 1.45819021400457, + "L3": 1.57482645637258, + "a7": 122.640153457893, + "L1": 1.32825030471372, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 113, + "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.236153849909, - "bs": 40.0, - "a2": 110.046167183155, - "a5": 120.235488800912, + "ss": "H", + "a3": 110.088414739697, + "bs": 47.0, + "a2": 110.272543451798, + "a5": 120.897734822707, "sidechain_LEU": null, - "chainIndex": 377, + "chainIndex": 755, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.861095770427 + "a4": 112.030165921029 } }, { "pk": 1488, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", + "sidechain_ASN": 60, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.183170035972, - "psi": 126.206917355328, - "oldID": "594", - "bg": 16.96, + "a6": 117.082104452528, + "psi": -53.0211285363103, + "oldID": "757", + "bg": 43.86, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.5347338939128, + "protein": "1TWF", + "zeta": 33.8844738660947, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 100, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1490, + "next": 1489, "sidechain_SER": null, - "bm": 16.0, + "bm": 43.0, "xpr": false, - "prev": 1486, + "prev": 1487, "terminal_flag": false, - "phi": -71.4568862731479, + "phi": -66.0090451263172, "chainID": "A", "sidechain_GLN": null, - "ome": 170.179215903722, - "chi2": null, + "ome": 179.231017125638, + "chi2": -48.8522246432354, "chi3": null, - "chi1": 177.724973338403, + "chi1": -64.3137064568452, "chi4": null, "chi5": null, - "a1": 119.842391799594, - "L4": 1.51140569256527, - "L5": 1.22383377266126, - "L2": 1.46190443359698, - "L3": 1.54245709212889, - "a7": 123.166874910806, - "L1": 1.32125510638299, + "a1": 121.22100800526, + "L4": 1.52426099072178, + "L5": 1.23313105200681, + "L2": 1.45618379765916, + "L3": 1.53123450066596, + "a7": 122.401456761868, + "L1": 1.33239932653154, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.099063760262, - "bs": 16.0, - "a2": 110.104781205259, - "a5": 120.648947492933, + "ss": "H", + "a3": 112.25069986826, + "bs": 42.0, + "a2": 110.498599948418, + "a5": 120.516388940669, "sidechain_LEU": null, - "chainIndex": 593, + "chainIndex": 756, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.280634501122 + "a4": 110.128769291346 } }, { "pk": 1489, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.312964762857, - "psi": 141.846950879291, - "oldID": "379", - "bg": 37.87, + "a6": 115.305984759301, + "psi": -45.1360864523998, + "oldID": "758", + "bg": 38.47, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 88, "protein": "1TWF", - "zeta": 34.5543328822021, + "zeta": 34.4076989934628, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 101, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1491, + "next": 1490, "sidechain_SER": null, - "bm": 42.0, + "bm": 37.0, "xpr": false, - "prev": 1487, + "prev": 1488, "terminal_flag": false, - "phi": -79.6268969029912, + "phi": -60.0574803694625, "chainID": "A", "sidechain_GLN": null, - "ome": 179.74402598471, - "chi2": null, + "ome": -178.961636673051, + "chi2": 178.532459317868, "chi3": null, - "chi1": 176.844836982113, + "chi1": -65.6338960483759, "chi4": null, "chi5": null, - "a1": 120.852171323638, - "L4": 1.51984936403564, - "L5": 1.22979561617821, - "L2": 1.46457623043767, - "L3": 1.53337099698042, - "a7": 122.80229948705, - "L1": 1.33066116085844, + "a1": 119.054947932681, + "L4": 1.52224812257914, + "L5": 1.23399970320926, + "L2": 1.44782751445156, + "L3": 1.52563970124215, + "a7": 123.405258590545, + "L1": 1.32683547931276, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 113.795643802386, + "ss": "H", + "a3": 109.749469183028, "bs": 38.0, - "a2": 111.867024796581, - "a5": 120.883571359462, + "a2": 111.342267620533, + "a5": 121.277361028297, "sidechain_LEU": null, - "chainIndex": 378, + "chainIndex": 757, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.30397430212 + "a4": 109.315047939968 } }, { "pk": 1490, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.737298874234, - "psi": -92.5622528595719, - "oldID": "595", + "a6": 117.257983678135, + "psi": -39.2081031856676, + "oldID": "759", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 34.2293436172032, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1492, + "next": 1491, "sidechain_SER": null, - "bm": 14.0, + "bm": 35.0, "xpr": false, - "prev": 1488, + "prev": 1489, "terminal_flag": false, - "phi": -96.0161010965169, + "phi": -54.5144880738207, "chainID": "A", "sidechain_GLN": null, - "ome": 172.386637715565, + "ome": -178.41510865119, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.366484867559, - "L4": 1.5130683276182, - "L5": 1.22338333812193, - "L2": 1.45942073563776, - "L3": null, - "a7": 121.469209564887, - "L1": 1.32680869535216, + "a1": 122.457332744411, + "L4": 1.51732268040072, + "L5": 1.23153449422121, + "L2": 1.45219181279964, + "L3": 1.50896106590404, + "a7": 122.169770838848, + "L1": 1.32698306896207, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 106.212726834645, - "bs": 0.0, - "a2": null, - "a5": 121.767642238778, + "ss": "H", + "a3": 114.796468178243, + "bs": 35.0, + "a2": 110.061679802724, + "a5": 120.571475640356, "sidechain_LEU": null, - "chainIndex": 594, + "chainIndex": 758, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.067544652455 } }, { "pk": 1491, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.008061674668, - "psi": 122.708194330439, - "oldID": "380", - "bg": 50.95, + "a6": 116.365151709316, + "psi": -34.9009136806057, + "oldID": "760", + "bg": 37.04, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5980555380005, + "zeta": 33.9012173912723, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 102, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1493, + "next": 1492, "sidechain_SER": null, - "bm": 48.0, + "bm": 36.0, "xpr": false, - "prev": 1489, + "prev": 1490, "terminal_flag": false, - "phi": -76.7964046169792, + "phi": -85.6397820849106, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.674211744464, - "chi2": null, - "chi3": null, - "chi1": 173.651198099728, + "sidechain_GLN": 63, + "ome": -179.85112461625, + "chi2": -172.835223831807, + "chi3": -58.8973486918623, + "chi1": -59.4721965146471, "chi4": null, "chi5": null, - "a1": 120.742147144772, - "L4": 1.52360909794551, - "L5": 1.23145626101305, - "L2": 1.45610216918601, - "L3": 1.53564245860013, - "a7": 122.901940541017, - "L1": 1.32677075915291, + "a1": 119.527097622638, + "L4": 1.50876080831249, + "L5": 1.23717726867797, + "L2": 1.45021797270442, + "L3": 1.52665643211309, + "a7": 123.107755284957, + "L1": 1.32311653967768, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.855118897627, - "bs": 49.0, - "a2": 110.984290075027, - "a5": 121.088721862166, + "ss": "H", + "a3": 112.366036381328, + "bs": 36.0, + "a2": 109.751652079567, + "a5": 120.516763622721, "sidechain_LEU": null, - "chainIndex": 379, + "chainIndex": 759, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.131055347036 + "a4": 110.887295682815 } }, { "pk": 1492, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 77, + "aa": "m", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.426125668603, - "psi": 153.761372051135, - "oldID": "596", - "bg": 15.19, + "a6": 114.655062565759, + "psi": -51.1285543907104, + "oldID": "761", + "bg": 35.82, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.5007668215339, + "protein": "1TWF", + "zeta": 34.8472249229732, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 39, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1494, + "next": 1493, "sidechain_SER": null, - "bm": 15.0, + "bm": 38.0, "xpr": false, - "prev": 1490, + "prev": 1491, "terminal_flag": false, - "phi": -71.9145924644986, + "phi": -67.1104828581182, "chainID": "A", "sidechain_GLN": null, - "ome": 175.945455389146, - "chi2": -29.328303740344, - "chi3": 25.5870473258532, - "chi1": 20.6570330140385, - "chi4": -12.8975239080353, + "ome": -177.698138736065, + "chi2": -155.088166632416, + "chi3": -83.5196405649846, + "chi1": -74.046803999589, + "chi4": null, "chi5": null, - "a1": 119.662868215365, - "L4": 1.51410315104307, - "L5": 1.23370276973392, - "L2": 1.4583523678474, - "L3": 1.53377214809735, - "a7": 123.159387749621, - "L1": 1.32092011089309, + "a1": 119.889632324656, + "L4": 1.51760816830108, + "L5": 1.23756003422371, + "L2": 1.45364079081073, + "L3": 1.52967683351033, + "a7": 124.168628873102, + "L1": 1.32400289073499, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -10.0862625376311, - "ss": "S", - "a3": 110.099407145105, - "bs": 14.0, - "a2": 103.32303940469, - "a5": 120.321173255531, + "omep": null, + "ss": "H", + "a3": 112.070698502757, + "bs": 36.0, + "a2": 110.842439830132, + "a5": 121.1734287937, "sidechain_LEU": null, - "chainIndex": 595, + "chainIndex": 760, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.26344862406 + "a4": 108.532432312964 } }, { "pk": 1493, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.447965212628, - "psi": 161.15493327991, - "oldID": "381", - "bg": 55.16, + "a6": 116.311558832451, + "psi": -44.4980472022999, + "oldID": "762", + "bg": 45.3, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.6288297288467, + "zeta": 34.8448606353615, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 76, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1495, - "sidechain_SER": null, - "bm": 55.0, + "next": 1494, + "sidechain_SER": 71, + "bm": 42.0, "xpr": false, - "prev": 1491, + "prev": 1492, "terminal_flag": false, - "phi": -145.774316259107, + "phi": -86.308708385117, "chainID": "A", "sidechain_GLN": null, - "ome": 179.851808595119, + "ome": 179.772291507423, "chi2": null, "chi3": null, - "chi1": 64.4336583165204, + "chi1": -43.7335546023237, "chi4": null, "chi5": null, - "a1": 121.353455919191, - "L4": 1.51311292944248, - "L5": 1.22806034938591, - "L2": 1.45358398364508, - "L3": 1.53871575466729, - "a7": 121.856384076542, - "L1": 1.32529187461738, + "a1": 123.502338428594, + "L4": 1.51331900501079, + "L5": 1.23308619511249, + "L2": 1.4608909798063, + "L3": 1.52188080450392, + "a7": 122.705924956996, + "L1": 1.33080990364002, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 108.231362331544, - "bs": 56.0, - "a2": 111.44421894237, - "a5": 120.695626815866, + "ss": "H", + "a3": 116.276758991873, + "bs": 43.0, + "a2": 109.138808919135, + "a5": 120.955469754697, "sidechain_LEU": null, - "chainIndex": 380, + "chainIndex": 761, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.978055087047 + "a4": 108.80989724391 } }, { "pk": 1494, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.889916667025, - "psi": 159.283665908397, - "oldID": "597", - "bg": 16.13, + "a6": 114.952055514609, + "psi": -176.561051789577, + "oldID": "763", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5002919464199, + "protein": "1TWF", + "zeta": 34.1898046885195, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1496, + "next": 1495, "sidechain_SER": null, - "bm": 14.0, + "bm": 45.0, "xpr": false, - "prev": 1492, + "prev": 1493, "terminal_flag": false, - "phi": -69.7044524234048, + "phi": -118.333116893166, "chainID": "A", "sidechain_GLN": null, - "ome": 173.363261713955, - "chi2": -177.701071694743, - "chi3": 2.0141182818424, - "chi1": 69.8816426016083, + "ome": 178.093478754056, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.744221099974, - "L4": 1.52912662751241, - "L5": 1.23638541309371, - "L2": 1.45580185452238, - "L3": 1.54080437338275, - "a7": 121.532220421507, - "L1": 1.32325909765865, + "a1": 119.166380434695, + "L4": 1.50764417128543, + "L5": 1.22939670998178, + "L2": 1.44889333176852, + "L3": 1.52768384872673, + "a7": 123.138646363652, + "L1": 1.3225222362509, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 114, + "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 107.936885499427, - "bs": 18.0, - "a2": 109.178650107461, - "a5": 120.534898483226, + "ss": "S", + "a3": 108.637206423513, + "bs": 42.0, + "a2": 110.847662843356, + "a5": 121.895889972946, "sidechain_LEU": null, - "chainIndex": 596, + "chainIndex": 762, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.464599057306 + "a4": 110.57917539795 } }, { "pk": 1495, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 78, + "aa": "c", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.274836666501, - "psi": -17.122487035665, - "oldID": "382", - "bg": 59.14, - "sidechain_CYS": null, + "a6": 118.229334684386, + "psi": 132.396157846538, + "oldID": "764", + "bg": 41.98, + "sidechain_CYS": 34, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.3934153514485, + "zeta": 36.0021723347325, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1497, + "next": 1496, "sidechain_SER": null, - "bm": 59.0, + "bm": 42.0, "xpr": false, - "prev": 1493, + "prev": 1494, "terminal_flag": false, - "phi": -56.6339037517951, + "phi": -26.5910724266657, "chainID": "A", "sidechain_GLN": null, - "ome": 179.393621999102, - "chi2": -44.8821190454487, - "chi3": 42.1785584645863, - "chi1": 29.2763264761784, - "chi4": -24.7537771227216, + "ome": 178.013569276987, + "chi2": null, + "chi3": null, + "chi1": 176.769814603634, + "chi4": null, "chi5": null, - "a1": 118.545560782057, - "L4": 1.5308750588143, - "L5": 1.22792107942957, - "L2": 1.46418822129076, - "L3": 1.52239008152863, - "a7": 122.527005723905, - "L1": 1.33694119011527, + "a1": 122.160512492263, + "L4": 1.57222496461511, + "L5": 1.22074343446696, + "L2": 1.44796734203223, + "L3": 1.51282723712644, + "a7": 121.44652539441, + "L1": 1.30994790432037, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 5.80698334721323, - "ss": "T", - "a3": 112.688445678572, - "bs": 58.0, - "a2": 102.793033581645, - "a5": 120.198146502613, + "omep": null, + "ss": "-", + "a3": 119.169696730525, + "bs": 42.0, + "a2": 105.993094283622, + "a5": 120.317692864045, "sidechain_LEU": null, - "chainIndex": 381, + "chainIndex": 763, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.541042703204 + "a4": 109.29120957409 } }, { "pk": 1496, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 79, + "aa": "v", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.321685527252, - "psi": 121.919810582719, - "oldID": "598", - "bg": 15.68, + "a6": 116.226099393938, + "psi": -42.4958681039073, + "oldID": "765", + "bg": 42.31, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.2224758941432, + "protein": "1TWF", + "zeta": 34.9871722818085, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 114, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1498, + "next": 1497, "sidechain_SER": null, - "bm": 15.0, + "bm": 38.0, "xpr": false, - "prev": 1494, + "prev": 1495, "terminal_flag": false, - "phi": -54.0043246016258, + "phi": -74.7331211288674, "chainID": "A", "sidechain_GLN": null, - "ome": -177.227316311168, - "chi2": 40.2509804540088, - "chi3": -33.6564302562018, - "chi1": -30.3195742909218, - "chi4": 14.5253962650452, + "ome": 178.890581891334, + "chi2": null, + "chi3": null, + "chi1": 170.232597146036, + "chi4": null, "chi5": null, - "a1": 120.119388088354, - "L4": 1.53321890140685, - "L5": 1.21507041391667, - "L2": 1.46819566810838, - "L3": 1.52998913714075, - "a7": 122.922531725935, - "L1": 1.32242919166431, + "a1": 123.227132454229, + "L4": 1.53873875677876, + "L5": 1.24143769192618, + "L2": 1.47918142495636, + "L3": 1.55392551907177, + "a7": 122.652535613968, + "L1": 1.34151353896493, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -11.0510787888699, + "omep": null, "ss": "-", - "a3": 108.603323982542, - "bs": 15.0, - "a2": 103.231359457082, - "a5": 120.443806502634, + "a3": 111.502882234578, + "bs": 41.0, + "a2": 112.587659784153, + "a5": 121.091770304552, "sidechain_LEU": null, - "chainIndex": 597, + "chainIndex": 764, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.242272041169 + "a4": 106.705899402398 } }, { "pk": 1497, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.375827679761, - "psi": -24.2340224707053, - "oldID": "383", - "bg": 64.28, + "a6": 114.626648876699, + "psi": -177.057033608345, + "oldID": "766", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3897680453564, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1499, + "next": 1498, "sidechain_SER": null, - "bm": 60.0, + "bm": 34.0, "xpr": false, - "prev": 1495, + "prev": 1496, "terminal_flag": false, - "phi": -74.0656690747279, + "phi": 115.23311611269, "chainID": "A", "sidechain_GLN": null, - "ome": -178.206932767477, - "chi2": -45.8593091298725, + "ome": -179.154959720597, + "chi2": null, "chi3": null, - "chi1": -49.4782067924641, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.167391952093, - "L4": 1.52792047247756, - "L5": 1.2302318727751, - "L2": 1.4635948066837, - "L3": 1.53247595362455, - "a7": 122.88179735096, - "L1": 1.33304333662555, + "a1": 119.349943499885, + "L4": 1.51002442377673, + "L5": 1.23020258396635, + "L2": 1.43986433259237, + "L3": null, + "a7": 123.062948977256, + "L1": 1.32959010691444, "sidechain_ARG": null, - "sidechain_TYR": 48, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.688837844878, - "bs": 64.0, - "a2": 110.860807261402, - "a5": 120.74237374052, + "ss": "E", + "a3": 118.007752922445, + "bs": 0.0, + "a2": null, + "a5": 122.305875634993, "sidechain_LEU": null, - "chainIndex": 382, + "chainIndex": 765, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.043139588319 + "a4": null } }, { "pk": 1498, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.07063757505, - "psi": 130.604382583697, - "oldID": "599", - "bg": 16.93, + "a6": 116.036674924121, + "psi": 125.352407227386, + "oldID": "767", + "bg": 32.26, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3040618519678, + "protein": "1TWF", + "zeta": 35.1179092457439, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1500, + "next": 1499, "sidechain_SER": null, - "bm": 16.0, + "bm": 32.0, "xpr": false, - "prev": 1496, + "prev": 1497, "terminal_flag": false, - "phi": -53.78649012449, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.228064703665, - "chi2": 175.820260885628, - "chi3": 177.379323376223, - "chi1": -160.558870606396, - "chi4": -86.2150611203487, - "chi5": 2.77379212273386, - "a1": 122.625893245463, - "L4": 1.51790025099098, - "L5": 1.22268319765261, - "L2": 1.45766220120889, - "L3": 1.52795359791464, - "a7": 122.360738813055, - "L1": 1.32595869771011, - "sidechain_ARG": 73, + "phi": -80.6521774114607, + "chainID": "A", + "sidechain_GLN": 64, + "ome": 178.189038117325, + "chi2": 72.7869129722132, + "chi3": 55.0028645756454, + "chi1": 167.624895821711, + "chi4": null, + "chi5": null, + "a1": 121.323895308984, + "L4": 1.52269924057137, + "L5": 1.22859354934746, + "L2": 1.44430679237336, + "L3": 1.51904491398015, + "a7": 123.898824651588, + "L1": 1.325688178887, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.905255346902, - "bs": 18.0, - "a2": 109.720217191388, - "a5": 120.566024712691, + "ss": "E", + "a3": 113.195625768549, + "bs": 32.0, + "a2": 109.761003691995, + "a5": 120.064493743047, "sidechain_LEU": null, - "chainIndex": 598, + "chainIndex": 766, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.050459214628 + "a4": 108.821930731788 } }, { "pk": 1499, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "q", "sidechain_PRO": null, - "sidechain_ASN": 63, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.376650134048, - "psi": -8.75848711653161, - "oldID": "384", - "bg": 53.49, + "a6": 117.633092257816, + "psi": 151.695604788311, + "oldID": "768", + "bg": 30.39, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8381182656561, + "zeta": 35.8989518839768, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1501, + "next": 1500, "sidechain_SER": null, - "bm": 56.0, + "bm": 27.0, "xpr": false, - "prev": 1497, + "prev": 1498, "terminal_flag": false, - "phi": -132.715083106302, + "phi": -79.5544995228134, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.182885426082, - "chi2": 41.6918822078884, - "chi3": null, - "chi1": 54.7071668420767, + "sidechain_GLN": 65, + "ome": 178.34853040505, + "chi2": -41.553613402271, + "chi3": 113.186036331926, + "chi1": -73.8600929292381, "chi4": null, "chi5": null, - "a1": 121.208741015052, - "L4": 1.52715943228578, - "L5": 1.22993249304525, - "L2": 1.45933994770984, - "L3": 1.53214040498384, - "a7": 122.894377990181, - "L1": 1.33110768330485, + "a1": 123.227900023843, + "L4": 1.51525235983824, + "L5": 1.22599249034934, + "L2": 1.45848421355006, + "L3": 1.53109826494823, + "a7": 121.56908341023, + "L1": 1.33200413121103, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 117.461978273952, - "bs": 54.0, - "a2": 109.375620797007, - "a5": 119.720090490604, + "ss": "-", + "a3": 107.889410640258, + "bs": 29.0, + "a2": 110.925096416418, + "a5": 120.795133240364, "sidechain_LEU": null, - "chainIndex": 383, + "chainIndex": 767, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.216256871235 + "a4": 108.02482808008 } }, { "pk": 1500, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 119.752196939414, - "psi": 133.933979065443, - "oldID": "600", - "bg": 22.44, + "a6": 115.949720579794, + "psi": 156.040140560528, + "oldID": "769", + "bg": 31.86, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.1504958689865, + "protein": "1TWF", + "zeta": 33.1294104900575, "sidechain_PHE": null, - "sidechain_LYS": 101, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1502, - "sidechain_SER": null, - "bm": 17.0, + "next": 1501, + "sidechain_SER": 72, + "bm": 26.0, "xpr": false, - "prev": 1498, + "prev": 1499, "terminal_flag": false, - "phi": -58.9460573451799, + "phi": -152.544249021469, "chainID": "A", "sidechain_GLN": null, - "ome": -3.18875904447134, - "chi2": -55.2257151379928, - "chi3": -178.873577885284, - "chi1": -62.0363199659537, - "chi4": 175.121006892811, + "ome": 178.693785013261, + "chi2": null, + "chi3": null, + "chi1": 115.114490844228, + "chi4": null, "chi5": null, - "a1": 120.252164816368, - "L4": 1.5306735844735, - "L5": 1.23462722077055, - "L2": 1.46667256769805, - "L3": 1.52597642861943, - "a7": 121.425599157855, - "L1": 1.33211320087777, + "a1": 116.769203924313, + "L4": 1.50506093580599, + "L5": 1.21703660782066, + "L2": 1.43626008182702, + "L3": 1.52767301226436, + "a7": 122.70191960288, + "L1": 1.31483676785357, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.77200762161, - "bs": 23.0, - "a2": 109.168477946599, - "a5": 118.793553262601, + "ss": "-", + "a3": 112.147324979595, + "bs": 30.0, + "a2": 110.212689197375, + "a5": 121.187562075401, "sidechain_LEU": null, - "chainIndex": 599, + "chainIndex": 768, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.511470760937 + "a4": 111.663479854953 } }, { "pk": 1501, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.804117114481, - "psi": -42.6447856147916, - "oldID": "385", - "bg": 56.9, + "a6": 115.411861817423, + "psi": 116.712324313162, + "oldID": "770", + "bg": 26.44, "sidechain_CYS": null, - "sidechain_ILE": 82, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9587179653074, + "zeta": 34.0518193667561, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 115, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1503, + "next": 1502, "sidechain_SER": null, - "bm": 55.0, + "bm": 30.0, "xpr": false, - "prev": 1499, + "prev": 1500, "terminal_flag": false, - "phi": -37.0533509778128, + "phi": -144.289525552042, "chainID": "A", "sidechain_GLN": null, - "ome": 179.395387349727, - "chi2": -60.3630204524566, + "ome": -178.808092104971, + "chi2": null, "chi3": null, - "chi1": -130.497830163831, + "chi1": 173.011234328938, "chi4": null, "chi5": null, - "a1": 122.274001538633, - "L4": 1.53679570274862, - "L5": 1.23080965193063, - "L2": 1.46285080268757, - "L3": 1.55808227878891, - "a7": 123.084878274845, - "L1": 1.32745750646409, + "a1": 121.747765050148, + "L4": 1.50689094681234, + "L5": 1.23016546641266, + "L2": 1.45037696922124, + "L3": 1.54440331539605, + "a7": 124.066792395248, + "L1": 1.32041459310016, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.947131437405, - "bs": 56.0, - "a2": 110.035126106043, - "a5": 121.09416699142, + "ss": "B", + "a3": 105.302203871291, + "bs": 26.0, + "a2": 112.225260400806, + "a5": 120.504625470847, "sidechain_LEU": null, - "chainIndex": 384, + "chainIndex": 769, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.783724899836 + "a4": 110.568134447332 } }, { "pk": 1502, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "e", "sidechain_PRO": null, - "sidechain_ASN": 64, - "chain": "1H0HA", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.874536702141, - "psi": 40.9370118970253, - "oldID": "601", - "bg": 19.0, + "a6": 115.779155833677, + "psi": 42.3238624773729, + "oldID": "771", + "bg": 46.23, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9544236837621, + "protein": "1TWF", + "zeta": 34.102841181585, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1504, + "next": 1503, "sidechain_SER": null, - "bm": 16.0, + "bm": 35.0, "xpr": false, - "prev": 1500, + "prev": 1501, "terminal_flag": false, - "phi": -114.48531292744, + "phi": 66.5419756315769, "chainID": "A", "sidechain_GLN": null, - "ome": 178.178090592842, - "chi2": -59.906082535686, - "chi3": null, - "chi1": -63.0570104854834, + "ome": 177.776463014933, + "chi2": 176.808183242829, + "chi3": 55.6974377204531, + "chi1": -66.8963902821959, "chi4": null, "chi5": null, - "a1": 127.128424875633, - "L4": 1.5148059170575, - "L5": 1.24240458068705, - "L2": 1.46266208363734, - "L3": 1.54180494211495, - "a7": 122.849662594095, - "L1": 1.33710082597999, + "a1": 123.159497184063, + "L4": 1.5307747210868, + "L5": 1.23450220814793, + "L2": 1.46219612829035, + "L3": 1.53959683905784, + "a7": 123.388534226209, + "L1": 1.33090708003412, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 110, "omep": null, "ss": "T", - "a3": 110.08491570243, - "bs": 18.0, - "a2": 109.964586397677, - "a5": 121.273039089783, + "a3": 109.513167622468, + "bs": 49.0, + "a2": 110.93293055623, + "a5": 120.792709422342, "sidechain_LEU": null, - "chainIndex": 600, + "chainIndex": 770, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.402992217808 + "a4": 110.275929171589 } }, { "pk": 1503, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 88, - "a6": 116.408111879634, - "psi": -62.7772388098035, - "oldID": "386", - "bg": 64.03, + "sidechain_ASP": null, + "a6": 118.113503670273, + "psi": 16.1085832092048, + "oldID": "772", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.782752983375, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1505, + "next": 1504, "sidechain_SER": null, - "bm": 56.0, + "bm": 33.0, "xpr": false, - "prev": 1501, + "prev": 1502, "terminal_flag": false, - "phi": -65.5285142802167, + "phi": 65.3784521228388, "chainID": "A", "sidechain_GLN": null, - "ome": -179.844028325351, - "chi2": 48.8381186600184, + "ome": 179.965585254997, + "chi2": null, "chi3": null, - "chi1": -83.7954062099934, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.924773557055, - "L4": 1.53151004247618, - "L5": 1.23328340720907, - "L2": 1.45497305776447, - "L3": 1.52796260142245, - "a7": 123.076569025312, - "L1": 1.328625222076, + "a1": 122.25278365114, + "L4": 1.51305445686358, + "L5": 1.22315295694427, + "L2": 1.45475764938245, + "L3": null, + "a7": 121.290143070403, + "L1": 1.33222237732808, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.61948170283, - "bs": 63.0, - "a2": 109.413432381115, - "a5": 120.512072857751, + "ss": "T", + "a3": 119.259567074238, + "bs": 0.0, + "a2": null, + "a5": 120.596351754067, "sidechain_LEU": null, - "chainIndex": 385, + "chainIndex": 771, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.48712076712 + "a4": null } }, { "pk": 1504, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.148285628178, - "psi": 154.621781134288, - "oldID": "602", - "bg": 0.0, + "a6": 115.675879685633, + "psi": 171.00761142448, + "oldID": "773", + "bg": 37.04, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7248476173008, + "protein": "1TWF", + "zeta": 35.984003235109, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 92, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1506, + "next": 1505, "sidechain_SER": null, - "bm": 16.0, + "bm": 32.0, "xpr": false, - "prev": 1502, + "prev": 1503, "terminal_flag": false, - "phi": -65.8322289422702, + "phi": -134.451848498448, "chainID": "A", "sidechain_GLN": null, - "ome": 177.613333076119, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, + "ome": 178.252844328199, + "chi2": 171.62867876684, + "chi3": 164.939980611592, + "chi1": -49.2321771141103, + "chi4": -177.313492327635, "chi5": null, - "a1": 122.228066781981, - "L4": 1.52932853464173, - "L5": 1.23028899961534, - "L2": 1.47124953191317, - "L3": 1.53553283010119, - "a7": 123.096383432794, - "L1": 1.32796870566288, + "a1": 119.063178354072, + "L4": 1.50322350855475, + "L5": 1.24416352123054, + "L2": 1.44712402961769, + "L3": 1.51565429668633, + "a7": 123.312031343984, + "L1": 1.31659168047614, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.783812699316, - "bs": 14.0, - "a2": 110.473765287939, - "a5": 120.740754743936, + "ss": "B", + "a3": 106.7992084485, + "bs": 40.0, + "a2": 110.107157192781, + "a5": 121.011036698393, "sidechain_LEU": null, - "chainIndex": 601, + "chainIndex": 772, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.356677879321 + "a4": 108.931948794295 } }, { @@ -154582,56 +142478,56 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.975317407564, - "psi": -49.9801139283329, - "oldID": "387", - "bg": 49.88, + "a6": 116.448450588664, + "psi": 162.578606757214, + "oldID": "774", + "bg": 36.79, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5665718599262, + "zeta": 34.1417852424788, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1507, + "next": 1506, "sidechain_SER": null, - "bm": 51.0, + "bm": 31.0, "xpr": false, - "prev": 1503, + "prev": 1504, "terminal_flag": false, - "phi": -54.7585571151221, + "phi": -72.4247667240349, "chainID": "A", "sidechain_GLN": null, - "ome": 179.548925635063, - "chi2": 172.106533336636, - "chi3": 57.2027928860571, - "chi1": 174.024763087515, - "chi4": 68.6878836312652, - "chi5": 0.227732194836423, - "a1": 121.958175894802, - "L4": 1.52815765835128, - "L5": 1.23421141091434, - "L2": 1.45880189770069, - "L3": 1.53865572209385, - "a7": 122.643691572371, - "L1": 1.33035216631651, - "sidechain_ARG": 74, + "ome": 179.397446326203, + "chi2": -139.469403935794, + "chi3": -50.761913206316, + "chi1": -18.029979674765, + "chi4": -86.6798660821463, + "chi5": 0.410752785082292, + "a1": 118.666093551826, + "L4": 1.53650100939744, + "L5": 1.2427625142758, + "L2": 1.43987777297974, + "L3": 1.53244288405443, + "a7": 123.17140103275, + "L1": 1.32465090188501, + "sidechain_ARG": 77, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.057156974312, - "bs": 46.0, - "a2": 110.059270240733, - "a5": 121.377960329359, + "ss": "S", + "a3": 104.17784960983, + "bs": 37.0, + "a2": 111.765201541486, + "a5": 120.336324383221, "sidechain_LEU": null, - "chainIndex": 386, + "chainIndex": 773, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.346423844404 + "a4": 110.915910558823 } }, { @@ -154641,931 +142537,931 @@ "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.922697009311, - "psi": 136.203575138664, - "oldID": "603", - "bg": 16.54, + "a6": 116.171569577323, + "psi": 130.139044688423, + "oldID": "775", + "bg": 25.3, "sidechain_CYS": null, - "sidechain_ILE": 83, - "protein": "1H0H", - "zeta": 34.9057891143778, + "sidechain_ILE": 89, + "protein": "1TWF", + "zeta": 35.1409632878973, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1508, + "next": 1507, "sidechain_SER": null, - "bm": 16.0, + "bm": 27.0, "xpr": false, - "prev": 1504, + "prev": 1505, "terminal_flag": false, - "phi": -127.149790455752, + "phi": -46.4284229157895, "chainID": "A", "sidechain_GLN": null, - "ome": 177.611997761339, - "chi2": 178.138947615765, + "ome": -176.750002249757, + "chi2": -53.8486378914707, "chi3": null, - "chi1": -59.7365231646071, + "chi1": -57.3212912172077, "chi4": null, "chi5": null, - "a1": 123.93248774695, - "L4": 1.55348895033997, - "L5": 1.22572983629963, - "L2": 1.46418851522399, - "L3": 1.55366121863649, - "a7": 121.833701352415, - "L1": 1.32731721778366, + "a1": 122.674222660009, + "L4": 1.51452229149164, + "L5": 1.23173705727849, + "L2": 1.45812094360033, + "L3": 1.54382230535226, + "a7": 123.001853917258, + "L1": 1.33424899499119, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 110.417683768097, - "bs": 16.0, - "a2": 108.97985887552, - "a5": 121.239281108452, + "ss": "-", + "a3": 109.660460018106, + "bs": 27.0, + "a2": 111.911844070514, + "a5": 120.796016404296, "sidechain_LEU": null, - "chainIndex": 602, + "chainIndex": 774, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.83768265969 + "a4": 107.877227698834 } }, { "pk": 1507, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.745249565143, - "psi": -41.4969947007788, - "oldID": "388", - "bg": 47.87, + "a6": 117.6502150272, + "psi": 154.875428805449, + "oldID": "776", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3531884054623, + "zeta": 33.9858679579498, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1509, + "next": 1508, "sidechain_SER": null, - "bm": 49.0, + "bm": 26.0, "xpr": false, - "prev": 1505, + "prev": 1506, "terminal_flag": false, - "phi": -51.5235056063642, + "phi": -82.9548150187172, "chainID": "A", "sidechain_GLN": null, - "ome": 179.23461990463, - "chi2": 168.681645725945, + "ome": 177.933912885952, + "chi2": null, "chi3": null, - "chi1": -84.173283157965, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.473817772835, - "L4": 1.51717377524259, - "L5": 1.23442847765907, - "L2": 1.44579589065269, - "L3": 1.52106530998828, - "a7": 123.590621998987, - "L1": 1.32637834011217, + "a1": 121.806831697812, + "L4": 1.52206866740408, + "L5": 1.22129213747835, + "L2": 1.46577193642212, + "L3": 1.50718676155653, + "a7": 121.222112676271, + "L1": 1.3263037149537, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.909235140642, - "bs": 46.0, - "a2": 109.933523973239, - "a5": 120.663607086435, - "sidechain_LEU": 120, - "chainIndex": 387, + "ss": "-", + "a3": 119.426977330683, + "bs": 25.0, + "a2": 108.281451159806, + "a5": 121.127408356569, + "sidechain_LEU": null, + "chainIndex": 775, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.461031022081 + "a4": 109.384910912666 } }, { "pk": 1508, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 80, + "aa": "f", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.469364832747, - "psi": 150.926606144637, - "oldID": "604", - "bg": 17.53, + "a6": 116.819846775401, + "psi": 83.2355549741377, + "oldID": "777", + "bg": 26.18, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.8229360503614, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 33.8601778039406, + "sidechain_PHE": 59, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1510, + "next": 1509, "sidechain_SER": null, - "bm": 15.0, + "bm": 26.0, "xpr": false, - "prev": 1506, + "prev": 1507, "terminal_flag": false, - "phi": -61.2065069106187, + "phi": -68.3723710996455, "chainID": "A", "sidechain_GLN": null, - "ome": -178.838226283471, - "chi2": 21.1182831369792, - "chi3": -20.6848845007631, - "chi1": -12.4115143185206, - "chi4": 13.2824404521594, + "ome": 178.911843340715, + "chi2": -18.0410357555805, + "chi3": null, + "chi1": -70.233228696986, + "chi4": null, "chi5": null, - "a1": 122.084609557827, - "L4": 1.53103090976386, - "L5": 1.22489605766429, - "L2": 1.46622675276574, - "L3": 1.52660281196685, - "a7": 123.303206797176, - "L1": 1.32994132675573, + "a1": 117.405630321267, + "L4": 1.53848932146227, + "L5": 1.22448793170521, + "L2": 1.46453129297475, + "L3": 1.52929191915812, + "a7": 122.324419766597, + "L1": 1.32347211746054, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -0.29740159677992, + "omep": null, "ss": "-", - "a3": 109.61986557124, - "bs": 17.0, - "a2": 104.067350272558, - "a5": 118.211482167369, + "a3": 112.052515791351, + "bs": 26.0, + "a2": 111.197909308082, + "a5": 120.85537358224, "sidechain_LEU": null, - "chainIndex": 603, + "chainIndex": 776, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.842858903109 + "a4": 109.368306458617 } }, { "pk": 1509, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.10200524406, - "psi": -44.8794830613626, - "oldID": "389", - "bg": 50.91, + "a6": 116.711345160473, + "psi": -28.7719957672224, + "oldID": "778", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.2936056203608, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 77, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1511, + "next": 1510, "sidechain_SER": null, - "bm": 50.0, + "bm": 23.0, "xpr": false, - "prev": 1507, + "prev": 1508, "terminal_flag": false, - "phi": -60.9886784074242, + "phi": -69.8993886648884, "chainID": "A", "sidechain_GLN": null, - "ome": 179.787057752599, + "ome": 176.53440309544, "chi2": null, "chi3": null, - "chi1": -86.0181367216699, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.147961206772, - "L4": 1.52655493820401, - "L5": 1.2301073377361, - "L2": 1.45782367300696, - "L3": 1.56467840999291, - "a7": 122.627369580212, - "L1": 1.33079419586924, + "a1": 121.444456454573, + "L4": 1.52722079216474, + "L5": 1.2413751818589, + "L2": 1.45980437619649, + "L3": null, + "a7": 121.770462858285, + "L1": 1.32886142001233, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.272640563073, - "bs": 51.0, - "a2": 111.923039536885, - "a5": 120.268954109232, + "ss": "-", + "a3": 113.196164398998, + "bs": 0.0, + "a2": null, + "a5": 121.379156813606, "sidechain_LEU": null, - "chainIndex": 388, + "chainIndex": 777, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.10147251119 + "a4": null } }, { "pk": 1510, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 89, - "a6": 117.134405753097, - "psi": -42.7837103860341, - "oldID": "605", - "bg": 18.21, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 117.729606693597, + "psi": 175.352268795417, + "oldID": "779", + "bg": 21.2, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5587024882815, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 35.3124551521291, + "sidechain_PHE": 60, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1512, + "next": 1511, "sidechain_SER": null, - "bm": 14.0, + "bm": 24.0, "xpr": false, - "prev": 1508, + "prev": 1509, "terminal_flag": false, - "phi": -55.5535419622324, + "phi": -97.1464420158947, "chainID": "A", "sidechain_GLN": null, - "ome": -175.824012333253, - "chi2": -80.4653268001094, + "ome": -179.679906888485, + "chi2": -88.368620673686, "chi3": null, - "chi1": -54.4147041727353, + "chi1": -77.506827920213, "chi4": null, "chi5": null, - "a1": 121.320281720909, - "L4": 1.50090220600103, - "L5": 1.21629596664661, - "L2": 1.4652410849524, - "L3": 1.53390781691322, - "a7": 123.258614773589, - "L1": 1.33344942746559, + "a1": 119.317097274878, + "L4": 1.50165763039499, + "L5": 1.23983800931019, + "L2": 1.46332220578074, + "L3": 1.52699056396436, + "a7": 122.792500542014, + "L1": 1.33356135339683, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.338295391149, - "bs": 17.0, - "a2": 110.170759574467, - "a5": 119.602463801346, + "ss": "B", + "a3": 97.495672591204, + "bs": 22.0, + "a2": 113.131958705164, + "a5": 119.47460531812, "sidechain_LEU": null, - "chainIndex": 604, + "chainIndex": 778, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.955117627519 + "a4": 108.864781597659 } }, { "pk": 1511, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.176385519261, - "psi": -43.9856316827654, - "oldID": "390", - "bg": 55.03, + "a6": 115.105631007088, + "psi": 111.023770851468, + "oldID": "780", + "bg": 22.76, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.0064597878978, + "zeta": 33.6683349865148, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 116, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1513, + "next": 1512, "sidechain_SER": null, - "bm": 51.0, + "bm": 25.0, "xpr": false, - "prev": 1509, + "prev": 1510, "terminal_flag": false, - "phi": -61.2992221192756, + "phi": -69.6338964560956, "chainID": "A", - "sidechain_GLN": 55, - "ome": 179.831942043399, - "chi2": 59.3382887224092, - "chi3": -134.108306911817, - "chi1": -177.894374680971, + "sidechain_GLN": null, + "ome": 179.402912027242, + "chi2": null, + "chi3": null, + "chi1": -172.468361157358, "chi4": null, "chi5": null, - "a1": 119.794593365504, - "L4": 1.53028714043522, - "L5": 1.23795098487324, - "L2": 1.45270347923651, - "L3": 1.52709256803749, - "a7": 123.298620935378, - "L1": 1.32786417398088, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, + "a1": 118.129070665626, + "L4": 1.54001493722712, + "L5": 1.22905442328593, + "L2": 1.45252342373851, + "L3": 1.52238226242102, + "a7": 123.207747304345, + "L1": 1.32415016003719, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 112.149466769188, - "bs": 55.0, - "a2": 110.505462621844, - "a5": 120.524534924987, + "ss": "T", + "a3": 114.313569113294, + "bs": 22.0, + "a2": 111.635805892499, + "a5": 121.671276412445, "sidechain_LEU": null, - "chainIndex": 389, + "chainIndex": 779, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.92941963148 + "a4": 108.395768632074 } }, { "pk": 1512, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.12523750866, - "psi": -44.0912630650686, - "oldID": "606", - "bg": 0.0, + "chain": "1TWFA", + "sidechain_ASP": 96, + "a6": 116.584489977992, + "psi": 25.5741100112541, + "oldID": "781", + "bg": 35.49, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 33.2789025049631, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1514, + "next": 1513, "sidechain_SER": null, - "bm": 14.0, + "bm": 32.0, "xpr": false, - "prev": 1510, + "prev": 1511, "terminal_flag": false, - "phi": -56.156669596248, + "phi": 60.1735423857898, "chainID": "A", "sidechain_GLN": null, - "ome": 178.784360153785, - "chi2": null, + "ome": 176.815131936405, + "chi2": -55.8787373367158, "chi3": null, - "chi1": null, + "chi1": -52.08995688956, "chi4": null, "chi5": null, - "a1": 120.855141944784, - "L4": 1.50915895900013, - "L5": 1.22802589537044, - "L2": 1.45490050151799, - "L3": null, - "a7": 122.448726343478, - "L1": 1.33211795182365, + "a1": 123.732549247186, + "L4": 1.51543761832106, + "L5": 1.23048310127196, + "L2": 1.45847245384147, + "L3": 1.53715430352181, + "a7": 122.642318104685, + "L1": 1.32872660286552, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.028652508601, - "bs": 0.0, - "a2": null, - "a5": 121.414004827474, + "ss": "T", + "a3": 114.681585103952, + "bs": 35.0, + "a2": 111.317345326309, + "a5": 120.761606190999, "sidechain_LEU": null, - "chainIndex": 605, + "chainIndex": 780, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.339286509986 } }, { "pk": 1513, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.270197246923, - "psi": -55.1625870715641, - "oldID": "391", - "bg": 52.09, + "a6": 116.070984811685, + "psi": 150.20434839783, + "oldID": "782", + "bg": 34.28, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.4600648099607, + "zeta": 32.3321759102617, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1515, + "next": 1514, "sidechain_SER": null, - "bm": 53.0, + "bm": 34.0, "xpr": false, - "prev": 1511, + "prev": 1512, "terminal_flag": false, - "phi": -55.741334976872, + "phi": -158.194710242361, "chainID": "A", "sidechain_GLN": null, - "ome": -179.894301338229, - "chi2": 168.248296763209, - "chi3": null, - "chi1": -58.3862004162578, - "chi4": null, - "chi5": null, - "a1": 122.44852681198, - "L4": 1.51763011873665, - "L5": 1.23047662058523, - "L2": 1.45980536477648, - "L3": 1.52716040058122, - "a7": 123.760315167071, - "L1": 1.33284770379656, - "sidechain_ARG": null, + "ome": -177.94183371316, + "chi2": 179.857376497784, + "chi3": 173.943639707669, + "chi1": 52.6465687176022, + "chi4": 159.266796304783, + "chi5": -0.114916783763595, + "a1": 120.233940677217, + "L4": 1.51227881050043, + "L5": 1.22866583566216, + "L2": 1.45495077097419, + "L3": 1.52807799041553, + "a7": 122.992971089188, + "L1": 1.3248553637043, + "sidechain_ARG": 78, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.025877229721, - "bs": 52.0, - "a2": 110.329601510193, - "a5": 120.967995583896, - "sidechain_LEU": 121, - "chainIndex": 390, + "ss": "B", + "a3": 111.288361903876, + "bs": 31.0, + "a2": 111.743581900883, + "a5": 120.913179795939, + "sidechain_LEU": null, + "chainIndex": 781, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.414366676329 + "a4": 111.382204123252 } }, { "pk": 1514, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 90, - "a6": 117.120171556868, - "psi": -36.1370902426305, - "oldID": "607", - "bg": 23.54, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 115.732846594049, + "psi": -29.579030584092, + "oldID": "783", + "bg": 34.36, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.1379428516349, + "protein": "1TWF", + "zeta": 34.9571733237433, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 76, "sidechain_TRP": null, - "next": 1516, + "next": 1515, "sidechain_SER": null, - "bm": 15.0, + "bm": 33.0, "xpr": false, - "prev": 1512, + "prev": 1513, "terminal_flag": false, - "phi": -70.49784264296, + "phi": -78.7483205381494, "chainID": "A", "sidechain_GLN": null, - "ome": 174.854113181564, - "chi2": -61.6144078072352, + "ome": -179.269609539079, + "chi2": null, "chi3": null, - "chi1": -85.6977262927224, + "chi1": 53.9508924966634, "chi4": null, "chi5": null, - "a1": 118.24907699583, - "L4": 1.49815115072355, - "L5": 1.22142071197382, - "L2": 1.44948283053963, - "L3": 1.51047620265038, - "a7": 124.475717578863, - "L1": 1.32661541215602, + "a1": 120.554602362093, + "L4": 1.51673851456815, + "L5": 1.21670051131256, + "L2": 1.45803304239787, + "L3": 1.52085826386672, + "a7": 124.170835619447, + "L1": 1.3267290594058, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.216223097184, - "bs": 23.0, - "a2": 112.707544256698, - "a5": 118.362584515956, + "ss": "S", + "a3": 114.241360976527, + "bs": 32.0, + "a2": 111.118016112486, + "a5": 120.087095406136, "sidechain_LEU": null, - "chainIndex": 606, + "chainIndex": 782, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.73018181296 + "a4": 107.301741303069 } }, { "pk": 1515, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.047628686619, - "psi": -31.6299488486888, - "oldID": "392", - "bg": 53.44, + "a6": 117.440331008034, + "psi": 153.338587564246, + "oldID": "784", + "bg": 32.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8612810616484, + "zeta": 35.2033517379781, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 103, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1517, + "next": 1516, "sidechain_SER": null, - "bm": 56.0, + "bm": 33.0, "xpr": false, - "prev": 1513, + "prev": 1514, "terminal_flag": false, - "phi": -53.643362271174, + "phi": -147.504891916542, "chainID": "A", "sidechain_GLN": null, - "ome": 179.983743801041, - "chi2": null, + "ome": -179.672292919321, + "chi2": -178.465065393161, "chi3": null, - "chi1": 179.212875532063, + "chi1": -76.2344841217555, "chi4": null, "chi5": null, - "a1": 122.028292415046, - "L4": 1.52029553383747, - "L5": 1.22636631392956, - "L2": 1.45094088056246, - "L3": 1.5392459087566, - "a7": 122.586353193226, - "L1": 1.32918983808882, + "a1": 124.373614499735, + "L4": 1.52414430895414, + "L5": 1.24027755010052, + "L2": 1.45562777085252, + "L3": 1.52140019787209, + "a7": 122.05177934223, + "L1": 1.32873728616304, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.736367333676, - "bs": 53.0, - "a2": 111.92949189025, - "a5": 120.365178899426, - "sidechain_LEU": null, - "chainIndex": 391, + "ss": "S", + "a3": 108.838503538137, + "bs": 30.0, + "a2": 110.110298906013, + "a5": 120.496335091205, + "sidechain_LEU": 129, + "chainIndex": 783, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.912149949236 + "a4": 109.518550907692 } }, { "pk": 1516, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 87, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.539879681492, - "psi": -44.3857406972282, - "oldID": "608", - "bg": 15.08, + "a6": 116.371186793253, + "psi": -8.46876435985593, + "oldID": "785", + "bg": 35.01, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1259377027873, + "protein": "1TWF", + "zeta": 37.6303388354181, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1518, + "next": 1517, "sidechain_SER": null, - "bm": 13.0, + "bm": 33.0, "xpr": false, - "prev": 1514, + "prev": 1515, "terminal_flag": false, - "phi": -58.0797854631606, + "phi": -65.3583957179593, "chainID": "A", "sidechain_GLN": null, - "ome": 178.981975756191, - "chi2": -179.885497007193, - "chi3": null, - "chi1": -73.8505675970532, - "chi4": null, + "ome": -178.558484931518, + "chi2": -40.8243044904453, + "chi3": 30.2574359926291, + "chi1": 35.4611016763006, + "chi4": -8.32817007762901, "chi5": null, - "a1": 120.988490627159, - "L4": 1.54797874671783, - "L5": 1.23835440650463, - "L2": 1.45836820844108, - "L3": 1.52819688717374, - "a7": 122.392942641419, - "L1": 1.33123135066429, + "a1": 120.997678935218, + "L4": 1.52176396833779, + "L5": 1.22986109095532, + "L2": 1.46720845857994, + "L3": 1.52288043105365, + "a7": 123.033640776755, + "L1": 1.34502383730765, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.244729874408, - "bs": 14.0, - "a2": 110.169490908705, - "a5": 121.063116045191, - "sidechain_LEU": 122, - "chainIndex": 607, + "omep": 13.1041345422027, + "ss": "T", + "a3": 111.625068976408, + "bs": 35.0, + "a2": 103.091611227156, + "a5": 120.584629486178, + "sidechain_LEU": null, + "chainIndex": 784, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.581420964633 + "a4": 112.175618005377 } }, { "pk": 1517, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.291401222012, - "psi": -32.6766751430265, - "oldID": "393", - "bg": 63.7, + "a6": 116.502577253474, + "psi": -4.46912678204742, + "oldID": "786", + "bg": 29.84, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4160766338102, + "zeta": 35.3706556451176, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1519, + "next": 1518, "sidechain_SER": null, - "bm": 58.0, + "bm": 33.0, "xpr": false, - "prev": 1515, + "prev": 1516, "terminal_flag": false, - "phi": -76.5105485793754, + "phi": -86.4413219800391, "chainID": "A", "sidechain_GLN": null, - "ome": 178.512172658807, - "chi2": -179.762429929915, - "chi3": -171.874026968389, - "chi1": -75.6861088853845, - "chi4": 158.472420223514, - "chi5": -0.0431958772867151, - "a1": 120.322966352329, - "L4": 1.51857957341036, - "L5": 1.22955722354051, - "L2": 1.45722377494475, - "L3": 1.52637319457837, - "a7": 123.076720293263, - "L1": 1.32805755815249, - "sidechain_ARG": 75, + "ome": 179.874984878421, + "chi2": null, + "chi3": null, + "chi1": -44.3356742827179, + "chi4": null, + "chi5": null, + "a1": 121.368447293383, + "L4": 1.5103808856158, + "L5": 1.22665753021227, + "L2": 1.46105638670688, + "L3": 1.50658353154452, + "a7": 123.284547163342, + "L1": 1.33167595419688, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.516946776075, - "bs": 66.0, - "a2": 110.987163094802, - "a5": 120.631802677898, + "ss": "T", + "a3": 114.17102432796, + "bs": 29.0, + "a2": 109.889408533011, + "a5": 120.184401556438, "sidechain_LEU": null, - "chainIndex": 392, - "sidechain_HIS": null, + "chainIndex": 785, + "sidechain_HIS": 52, "h_bond_energy": 0.0, - "a4": 109.702501275249 + "a4": 107.875070551377 } }, { "pk": 1518, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.584916867957, - "psi": -42.9426335428151, - "oldID": "609", - "bg": 16.13, + "a6": 115.53371790111, + "psi": 166.791620870599, + "oldID": "787", + "bg": 31.93, "sidechain_CYS": null, - "sidechain_ILE": 84, - "protein": "1H0H", - "zeta": 33.4196339969124, - "sidechain_PHE": null, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 35.5928120049676, + "sidechain_PHE": 61, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1520, + "next": 1519, "sidechain_SER": null, - "bm": 14.0, + "bm": 34.0, "xpr": false, - "prev": 1516, + "prev": 1517, "terminal_flag": false, - "phi": -65.269865890435, + "phi": -112.535803331288, "chainID": "A", "sidechain_GLN": null, - "ome": 178.395052627256, - "chi2": 156.530840617269, + "ome": 179.547418078262, + "chi2": -79.6177711895049, "chi3": null, - "chi1": -63.1670257115997, + "chi1": -70.1870965755134, "chi4": null, "chi5": null, - "a1": 121.573888314146, - "L4": 1.52191040487316, - "L5": 1.23444475508645, - "L2": 1.45449544339573, - "L3": 1.55268917503413, - "a7": 122.802623090391, - "L1": 1.31904126768388, + "a1": 121.250263835626, + "L4": 1.50738900403942, + "L5": 1.23323103335085, + "L2": 1.44928117603104, + "L3": 1.52167620113094, + "a7": 123.707972340823, + "L1": 1.32728767806019, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.389900450959, - "bs": 15.0, - "a2": 111.00317438044, - "a5": 120.604828137715, + "ss": "S", + "a3": 109.181019628095, + "bs": 29.0, + "a2": 111.341499145754, + "a5": 120.735761760306, "sidechain_LEU": null, - "chainIndex": 608, + "chainIndex": 786, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.811103109406 + "a4": 107.737658158064 } }, { "pk": 1519, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "s", "sidechain_PRO": null, - "sidechain_ASN": 65, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.771504093151, - "psi": -23.4410283549277, - "oldID": "394", - "bg": 59.05, + "a6": 118.066878638849, + "psi": 155.067502506184, + "oldID": "788", + "bg": 38.39, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8586611555746, + "zeta": 35.204944525724, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1521, - "sidechain_SER": null, - "bm": 54.0, + "next": 1520, + "sidechain_SER": 73, + "bm": 36.0, "xpr": false, - "prev": 1517, + "prev": 1518, "terminal_flag": false, - "phi": -69.5173818338542, + "phi": -90.463033117828, "chainID": "A", "sidechain_GLN": null, - "ome": 178.733488165206, - "chi2": -76.8353780123703, + "ome": -179.045137994373, + "chi2": null, "chi3": null, - "chi1": -79.2803729207791, + "chi1": -173.918153895411, "chi4": null, "chi5": null, - "a1": 121.634524276884, - "L4": 1.52332076392011, - "L5": 1.23212351641138, - "L2": 1.45719036606601, - "L3": 1.52651745182771, - "a7": 123.320232336802, - "L1": 1.32904292587629, + "a1": 121.85282285551, + "L4": 1.54505364741432, + "L5": 1.23031510556244, + "L2": 1.449722798436, + "L3": 1.52603277372862, + "a7": 121.450733786603, + "L1": 1.32778310123997, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.122658931157, - "bs": 58.0, - "a2": 110.101214357989, - "a5": 120.906730330412, + "ss": "-", + "a3": 108.715870099146, + "bs": 38.0, + "a2": 108.569442290391, + "a5": 120.481857035204, "sidechain_LEU": null, - "chainIndex": 393, + "chainIndex": 787, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.029949988027 + "a4": 111.078291101962 } }, { "pk": 1520, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.540942129731, - "psi": -46.0399181319102, - "oldID": "610", - "bg": 15.4, + "a6": 116.016102270784, + "psi": 148.196467434884, + "oldID": "789", + "bg": 37.65, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6509595433456, + "protein": "1TWF", + "zeta": 33.637123919605, "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 104, + "sidechain_LYS": 93, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1523, + "next": 1521, "sidechain_SER": null, - "bm": 15.0, + "bm": 37.0, "xpr": false, - "prev": 1518, + "prev": 1519, "terminal_flag": false, - "phi": -60.6635540986041, + "phi": -61.2266691362449, "chainID": "A", "sidechain_GLN": null, - "ome": -177.825940081454, - "chi2": null, - "chi3": null, - "chi1": 157.660320482552, - "chi4": null, + "ome": 179.158602862146, + "chi2": -166.369385109736, + "chi3": 176.262715862329, + "chi1": -60.6650863662447, + "chi4": -176.402310441283, "chi5": null, - "a1": 120.77841027856, - "L4": 1.51941453119369, - "L5": 1.22845022891019, - "L2": 1.45960954958403, - "L3": 1.53671249609324, - "a7": 122.458834278745, - "L1": 1.32172649455463, + "a1": 120.157741088815, + "L4": 1.52898920417785, + "L5": 1.23184800231032, + "L2": 1.46264230268309, + "L3": 1.53141013690047, + "a7": 122.932095129626, + "L1": 1.33067701291353, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.356327252331, - "bs": 15.0, - "a2": 111.24577294496, - "a5": 120.985419503311, + "ss": "T", + "a3": 113.959229655508, + "bs": 38.0, + "a2": 110.448526308851, + "a5": 121.035594405853, "sidechain_LEU": null, - "chainIndex": 609, + "chainIndex": 788, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.24612141084 + "a4": 109.865748824728 } }, { "pk": 1521, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.774965332972, - "psi": -168.877434029981, - "oldID": "395", - "bg": 0.0, + "sidechain_ASP": 97, + "a6": 117.00864064838, + "psi": 30.9804290691435, + "oldID": "790", + "bg": 39.71, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 33.7869514491447, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -155574,242 +143470,242 @@ "sidechain_TRP": null, "next": 1522, "sidechain_SER": null, - "bm": 50.0, + "bm": 37.0, "xpr": false, - "prev": 1519, + "prev": 1520, "terminal_flag": false, - "phi": 65.6829145423692, + "phi": 63.0195646283555, "chainID": "A", "sidechain_GLN": null, - "ome": 179.891426881911, - "chi2": null, + "ome": 179.084053710108, + "chi2": -23.1756219234746, "chi3": null, - "chi1": null, + "chi1": -63.4824834464172, "chi4": null, "chi5": null, - "a1": 121.543750135632, - "L4": 1.51992695117109, - "L5": 1.2311654416814, - "L2": 1.4553864519738, - "L3": null, - "a7": 121.519723321003, - "L1": 1.33171665647264, + "a1": 122.298752720094, + "L4": 1.53405021997571, + "L5": 1.23278141225313, + "L2": 1.45432238351504, + "L3": 1.52305883614092, + "a7": 122.547698721659, + "L1": 1.32902600054351, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "T", - "a3": 117.22641752214, - "bs": 0.0, - "a2": null, - "a5": 120.702255381306, + "a3": 116.777918186053, + "bs": 40.0, + "a2": 108.842758505213, + "a5": 120.426565736827, "sidechain_LEU": null, - "chainIndex": 394, + "chainIndex": 789, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.210075408168 } }, { "pk": 1522, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 81, + "aa": "d", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.405709629304, - "psi": -9.53808620999614, - "oldID": "396", - "bg": 49.98, + "sidechain_ASP": 98, + "a6": 117.871223922019, + "psi": 100.834596283021, + "oldID": "791", + "bg": 36.9, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.3889727701141, + "zeta": 35.3751237148293, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1524, + "next": 1523, "sidechain_SER": null, - "bm": 51.0, + "bm": 35.0, "xpr": false, "prev": 1521, "terminal_flag": false, - "phi": -78.1278150217549, + "phi": -90.7759395570608, "chainID": "A", "sidechain_GLN": null, - "ome": -178.611602990357, - "chi2": -44.5719494716231, - "chi3": 38.0028548491197, - "chi1": 33.4648269328354, - "chi4": -17.2930779510314, + "ome": -179.297159087688, + "chi2": -10.311693619851, + "chi3": null, + "chi1": -178.786446178205, + "chi4": null, "chi5": null, - "a1": 121.172623884411, - "L4": 1.52389309111415, - "L5": 1.23086656621087, - "L2": 1.46787999016556, - "L3": 1.52147885316768, - "a7": 122.618501029207, - "L1": 1.34115747484547, + "a1": 122.4909146698, + "L4": 1.54185194425725, + "L5": 1.22694346283087, + "L2": 1.46516810085735, + "L3": 1.53451020607385, + "a7": 121.962092982855, + "L1": 1.33207797762827, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -12.5739629485766, - "ss": "T", - "a3": 115.696998573515, - "bs": 49.0, - "a2": 103.046465542884, - "a5": 119.968666978702, + "omep": null, + "ss": "-", + "a3": 109.61941255304, + "bs": 37.0, + "a2": 108.936992120125, + "a5": 120.16650567923, "sidechain_LEU": null, - "chainIndex": 395, + "chainIndex": 790, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.610502457064 + "a4": 110.23558042927 } }, { "pk": 1523, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.336575343426, - "psi": -37.8749378755788, - "oldID": "611", - "bg": 21.22, + "a6": 116.622496290707, + "psi": 19.0285798225938, + "oldID": "792", + "bg": 35.03, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6157421596323, + "protein": "1TWF", + "zeta": 34.1285440390429, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1525, + "next": 1524, "sidechain_SER": null, - "bm": 15.0, + "bm": 33.0, "xpr": false, - "prev": 1520, + "prev": 1522, "terminal_flag": false, - "phi": -65.4996066192804, + "phi": -95.0661022285427, "chainID": "A", "sidechain_GLN": null, - "ome": -179.259887505222, - "chi2": -60.0894474212363, - "chi3": -45.9649005638774, - "chi1": -73.5026148913144, + "ome": -178.897856627822, + "chi2": 73.2869513773579, + "chi3": null, + "chi1": -69.0380753871222, "chi4": null, "chi5": null, - "a1": 119.800321556327, - "L4": 1.51957437051192, - "L5": 1.22269346932254, - "L2": 1.45851570005035, - "L3": 1.53516951180867, - "a7": 122.209145792767, - "L1": 1.32790391079494, + "a1": 121.043784248562, + "L4": 1.51965611005174, + "L5": 1.2259652548386, + "L2": 1.46811146949761, + "L3": 1.52411512045769, + "a7": 122.522401874435, + "L1": 1.33465463455347, "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 115, + "sidechain_TYR": 33, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.903859371851, - "bs": 22.0, - "a2": 110.963433521057, - "a5": 120.45399734963, + "ss": "-", + "a3": 113.825731209456, + "bs": 33.0, + "a2": 110.031477460983, + "a5": 120.848775095211, "sidechain_LEU": null, - "chainIndex": 610, + "chainIndex": 791, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.200559143477 + "a4": 109.618414533347 } }, { "pk": 1524, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "s", "sidechain_PRO": null, - "sidechain_ASN": 66, + "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.885789757277, - "psi": -31.0608054748923, - "oldID": "397", - "bg": 62.8, + "a6": 116.668427419639, + "psi": 168.233420404409, + "oldID": "793", + "bg": 37.58, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.3543928888294, + "zeta": 35.3537211676039, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1527, - "sidechain_SER": null, - "bm": 56.0, + "next": 1525, + "sidechain_SER": 74, + "bm": 35.0, "xpr": false, - "prev": 1522, + "prev": 1523, "terminal_flag": false, - "phi": -94.04930133322, + "phi": -70.0240726613362, "chainID": "A", "sidechain_GLN": null, - "ome": 177.798135703516, - "chi2": 166.5995778837, + "ome": 179.660745417079, + "chi2": null, "chi3": null, - "chi1": -61.8724951725977, + "chi1": 72.0935169098969, "chi4": null, "chi5": null, - "a1": 120.548755820155, - "L4": 1.53214766186655, - "L5": 1.22819836706746, - "L2": 1.45710127849673, - "L3": 1.52660988949889, - "a7": 122.240386994994, - "L1": 1.32999961077315, + "a1": 120.914085981629, + "L4": 1.523302056814, + "L5": 1.23960311642873, + "L2": 1.45735239128606, + "L3": 1.52098213462256, + "a7": 121.83260005056, + "L1": 1.32583572915973, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 116.224055876589, - "bs": 62.0, - "a2": 109.216157129665, - "a5": 119.862978518646, + "ss": "S", + "a3": 114.089901219908, + "bs": 36.0, + "a2": 109.712813184442, + "a5": 121.494986773519, "sidechain_LEU": null, - "chainIndex": 396, + "chainIndex": 792, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.608445921365 + "a4": 108.216480555202 } }, { "pk": 1525, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 88, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.65683459725, - "psi": -43.9072222086877, - "oldID": "612", - "bg": 14.5, + "a6": 117.509205424205, + "psi": -32.8063508832762, + "oldID": "794", + "bg": 36.34, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5883501917645, + "protein": "1TWF", + "zeta": 36.5081112802869, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -155818,162 +143714,162 @@ "sidechain_TRP": null, "next": 1526, "sidechain_SER": null, - "bm": 14.0, + "bm": 37.0, "xpr": false, - "prev": 1523, + "prev": 1524, "terminal_flag": false, - "phi": -71.3952137386285, + "phi": -66.0948902485961, "chainID": "A", "sidechain_GLN": null, - "ome": -177.893073995648, - "chi2": 171.458314840134, - "chi3": null, - "chi1": -74.1450028511648, - "chi4": null, + "ome": -179.9184141126, + "chi2": -40.9346514504458, + "chi3": 42.5616924052073, + "chi1": 22.4734452778347, + "chi4": -29.4208737479148, "chi5": null, - "a1": 118.967485763864, - "L4": 1.51528433663328, - "L5": 1.23205133515371, - "L2": 1.46140262127172, - "L3": 1.5315679708715, - "a7": 123.476359982196, - "L1": 1.32754639739384, + "a1": 118.314576572222, + "L4": 1.52371199404293, + "L5": 1.23262181711492, + "L2": 1.46738730770636, + "L3": 1.52896351712825, + "a7": 122.5291366532, + "L1": 1.33772910158522, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.723303331901, - "bs": 14.0, - "a2": 111.585088024718, - "a5": 120.855379677073, - "sidechain_LEU": 123, - "chainIndex": 611, + "omep": -17.2142834016046, + "ss": "T", + "a3": 115.973999580695, + "bs": 34.0, + "a2": 103.149136444466, + "a5": 119.960240028079, + "sidechain_LEU": null, + "chainIndex": 793, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.014232225367 + "a4": 112.667573550314 } }, { "pk": 1526, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.79819602309, - "psi": -44.6835972618236, - "oldID": "613", - "bg": 0.0, + "a6": 114.984711130857, + "psi": -33.7684326005261, + "oldID": "795", + "bg": 50.96, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6959416304374, + "protein": "1TWF", + "zeta": 34.982297656315, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1528, + "next": 1527, "sidechain_SER": null, - "bm": 14.0, + "bm": 37.0, "xpr": false, "prev": 1525, "terminal_flag": false, - "phi": -62.1783943413624, + "phi": -74.0019972810589, "chainID": "A", "sidechain_GLN": null, - "ome": -177.990961373699, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 179.825400159093, + "chi2": 85.1873650562772, + "chi3": 38.7874714891652, + "chi1": -47.7762805726113, "chi4": null, "chi5": null, - "a1": 121.917863508633, - "L4": 1.5325873492243, - "L5": 1.21186673791885, - "L2": 1.44787499807035, - "L3": 1.51967945157158, - "a7": 121.841268309846, - "L1": 1.31917463698014, + "a1": 120.539483888379, + "L4": 1.52690582926126, + "L5": 1.22517736850389, + "L2": 1.46779024860032, + "L3": 1.53305905099967, + "a7": 123.037473565421, + "L1": 1.32924740412995, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 111, "omep": null, - "ss": "H", - "a3": 109.939475269479, - "bs": 13.0, - "a2": 110.323048265918, - "a5": 120.355994415674, + "ss": "T", + "a3": 108.508709329249, + "bs": 50.0, + "a2": 111.223377898287, + "a5": 121.975086864461, "sidechain_LEU": null, - "chainIndex": 612, + "chainIndex": 794, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.197715815153 + "a4": 108.856076998382 } }, { "pk": 1527, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.553074398466, - "psi": 143.081629697225, - "oldID": "398", - "bg": 70.06, + "a6": 118.094765719623, + "psi": -46.3630580592053, + "oldID": "796", + "bg": 32.56, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.8634123510324, + "zeta": 34.5631120935507, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1529, - "sidechain_SER": null, - "bm": 58.0, + "next": 1528, + "sidechain_SER": 75, + "bm": 32.0, "xpr": false, - "prev": 1524, + "prev": 1526, "terminal_flag": false, - "phi": -95.0088691857269, + "phi": -66.0628812531644, "chainID": "A", "sidechain_GLN": null, - "ome": -176.743190029599, - "chi2": -174.030772840724, - "chi3": 70.6415804623329, - "chi1": -69.3236018142997, + "ome": -178.908220600069, + "chi2": null, + "chi3": null, + "chi1": 174.529619881205, "chi4": null, "chi5": null, - "a1": 120.959578420689, - "L4": 1.5185889187663, - "L5": 1.23333226985607, - "L2": 1.462595255615, - "L3": 1.52125175954252, - "a7": 122.948323560928, - "L1": 1.33005581580528, + "a1": 121.810006594561, + "L4": 1.53359911546422, + "L5": 1.22940773383809, + "L2": 1.4435220887267, + "L3": 1.53011595844362, + "a7": 122.470567971611, + "L1": 1.32109537107863, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 116, + "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 105.213023628749, - "bs": 71.0, - "a2": 111.456230330305, - "a5": 119.492985916297, + "ss": "T", + "a3": 112.202946787287, + "bs": 33.0, + "a2": 109.371356415479, + "a5": 119.426958367962, "sidechain_LEU": null, - "chainIndex": 397, + "chainIndex": 795, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.575331470393 + "a4": 110.361665384418 } }, { @@ -155983,443 +143879,443 @@ "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.292933343219, - "psi": -37.9103621644589, - "oldID": "614", - "bg": 19.47, + "a6": 116.790456480133, + "psi": 40.6404448422169, + "oldID": "797", + "bg": 30.99, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4253062680191, + "protein": "1TWF", + "zeta": 30.9088016609378, "sidechain_PHE": null, - "sidechain_LYS": 102, + "sidechain_LYS": 94, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1530, + "next": 1529, "sidechain_SER": null, - "bm": 15.0, + "bm": 31.0, "xpr": false, - "prev": 1526, + "prev": 1527, "terminal_flag": false, - "phi": -66.1501617611208, + "phi": -102.694480741524, "chainID": "A", "sidechain_GLN": null, - "ome": -179.602122378668, - "chi2": 168.923178529835, - "chi3": 178.470016867598, - "chi1": -75.3438242878774, - "chi4": 172.934233845573, + "ome": 175.249002371028, + "chi2": 178.310457676058, + "chi3": 77.4494575840721, + "chi1": -57.7010827812419, + "chi4": 71.6964277128823, "chi5": null, - "a1": 119.955168280401, - "L4": 1.5092252302314, - "L5": 1.24628907286028, - "L2": 1.46361221254627, - "L3": 1.51763695070047, - "a7": 122.658364118962, - "L1": 1.32225557962956, + "a1": 119.500713330172, + "L4": 1.53612530481744, + "L5": 1.23590239286153, + "L2": 1.4583464974664, + "L3": 1.5460078376956, + "a7": 122.501889373221, + "L1": 1.33799392730905, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.913604605749, - "bs": 20.0, - "a2": 111.321377406152, - "a5": 121.036607231032, + "ss": "T", + "a3": 118.721869669585, + "bs": 31.0, + "a2": 111.029720928531, + "a5": 120.705902725822, "sidechain_LEU": null, - "chainIndex": 613, + "chainIndex": 796, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.532165813835 + "a4": 110.763659015638 } }, { "pk": 1529, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 119.104332031406, - "psi": -75.6011820386762, - "oldID": "399", - "bg": 48.82, + "a6": 119.656854809931, + "psi": 15.2251560251026, + "oldID": "798", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 31.8660626547868, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1531, + "next": 1530, "sidechain_SER": null, - "bm": 57.0, + "bm": 26.0, "xpr": false, - "prev": 1527, + "prev": 1528, "terminal_flag": false, - "phi": -52.3446846538017, + "phi": 90.107081245672, "chainID": "A", "sidechain_GLN": null, - "ome": -179.629180951156, + "ome": 176.141199354353, "chi2": null, "chi3": null, - "chi1": 168.916043161547, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.167842926489, - "L4": 1.52146800943075, - "L5": 1.23132072434368, - "L2": 1.46001687098709, - "L3": 1.52611101205286, - "a7": 121.481365849131, - "L1": 1.33473918332426, + "a1": 120.182520574378, + "L4": 1.51636104336866, + "L5": 1.23034054771502, + "L2": 1.45691092836737, + "L3": null, + "a7": 120.993369519535, + "L1": 1.33628365406086, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 119.196611025577, - "bs": 47.0, - "a2": 112.325941232806, - "a5": 119.405281141195, + "ss": "T", + "a3": 125.090726116835, + "bs": 0.0, + "a2": null, + "a5": 119.34414543145, "sidechain_LEU": null, - "chainIndex": 398, - "sidechain_HIS": 47, + "chainIndex": 797, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.038033416948 + "a4": null } }, { "pk": 1530, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.729985136338, - "psi": -41.7539503175288, - "oldID": "615", - "bg": 17.95, + "a6": 117.598581588086, + "psi": 128.088607871382, + "oldID": "799", + "bg": 28.48, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.1738631238315, - "sidechain_PHE": null, + "protein": "1TWF", + "zeta": 34.969394340245, + "sidechain_PHE": 62, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1532, + "next": 1531, "sidechain_SER": null, - "bm": 17.0, + "bm": 29.0, "xpr": false, - "prev": 1528, + "prev": 1529, "terminal_flag": false, - "phi": -68.8726488890776, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.608846971322, - "chi2": 163.190917629781, - "chi3": -157.980631452655, - "chi1": -67.1396426557787, - "chi4": -116.044394396151, - "chi5": 1.27520561524332, - "a1": 118.792864404366, - "L4": 1.5211160115737, - "L5": 1.22443218380614, - "L2": 1.45280097472652, - "L3": 1.53876971595306, - "a7": 122.237609734574, - "L1": 1.32760414137139, - "sidechain_ARG": 76, + "phi": -80.2218862516851, + "chainID": "A", + "sidechain_GLN": null, + "ome": 178.21121620213, + "chi2": 67.6112333911757, + "chi3": null, + "chi1": 178.053206303935, + "chi4": null, + "chi5": null, + "a1": 116.722203585442, + "L4": 1.51638385252834, + "L5": 1.2220967669453, + "L2": 1.44851943779021, + "L3": 1.52208918805766, + "a7": 122.005008870237, + "L1": 1.32330603347096, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 109.329770204545, - "bs": 22.0, - "a2": 112.163854743322, - "a5": 121.032316684113, + "ss": "E", + "a3": 106.783244259864, + "bs": 26.0, + "a2": 112.582034845476, + "a5": 120.380085666997, "sidechain_LEU": null, - "chainIndex": 614, + "chainIndex": 798, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.985439735033 + "a4": 107.982330600828 } }, { "pk": 1531, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 82, + "aa": "v", + "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.02912740947, - "psi": 72.5497626068119, - "oldID": "400", - "bg": 51.09, + "a6": 115.405618112403, + "psi": 104.604056623631, + "oldID": "800", + "bg": 26.72, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 37.3645646459303, + "zeta": 34.1604266242175, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 117, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1533, + "next": 1532, "sidechain_SER": null, - "bm": 52.0, + "bm": 30.0, "xpr": false, - "prev": 1529, + "prev": 1530, "terminal_flag": false, - "phi": -61.8441135562121, + "phi": -101.328307081631, "chainID": "A", "sidechain_GLN": null, - "ome": -179.697902554521, - "chi2": 39.8061027967087, - "chi3": -39.7716057298304, - "chi1": -23.6772149951414, - "chi4": 25.9066834806029, + "ome": -179.691756113173, + "chi2": null, + "chi3": null, + "chi1": 165.355124110317, + "chi4": null, "chi5": null, - "a1": 112.438977705665, - "L4": 1.5359376439133, - "L5": 1.22574713016237, - "L2": 1.47017732238611, - "L3": 1.53403571107081, - "a7": 122.966006828195, - "L1": 1.34641341872683, + "a1": 118.511327852452, + "L4": 1.52231676226382, + "L5": 1.2409265775817, + "L2": 1.44602831915395, + "L3": 1.54138278804907, + "a7": 122.836284071371, + "L1": 1.31704320982035, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": -1.04659323178317, - "ss": "S", - "a3": 110.826787549312, - "bs": 51.0, - "a2": 103.372218826684, - "a5": 120.002506810967, + "omep": null, + "ss": "E", + "a3": 105.940315064529, + "bs": 27.0, + "a2": 112.260878758028, + "a5": 121.721807226508, "sidechain_LEU": null, - "chainIndex": 399, + "chainIndex": 799, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.492660549579 + "a4": 110.068054530711 } }, { "pk": 1532, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.228163346316, - "psi": -37.8903643085626, - "oldID": "616", - "bg": 14.13, + "a6": 116.521302620453, + "psi": -42.8944153083345, + "oldID": "801", + "bg": 46.72, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.812842043907, + "protein": "1TWF", + "zeta": 34.3970824897086, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 105, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1534, + "next": 1533, "sidechain_SER": null, - "bm": 14.0, + "bm": 32.0, "xpr": false, - "prev": 1530, + "prev": 1531, "terminal_flag": false, - "phi": -66.9551079199187, + "phi": -70.4031400169375, "chainID": "A", "sidechain_GLN": null, - "ome": 176.516096872332, - "chi2": null, - "chi3": null, - "chi1": 172.407695058607, + "ome": -178.976871699268, + "chi2": 175.113857330078, + "chi3": 1.30108103632036, + "chi1": -177.323443721577, "chi4": null, "chi5": null, - "a1": 118.58031952973, - "L4": 1.53345618771616, - "L5": 1.22569030386895, - "L2": 1.44980824211535, - "L3": 1.5333594211913, - "a7": 122.174690865558, - "L1": 1.32081765428537, + "a1": 119.801555133084, + "L4": 1.52089082947201, + "L5": 1.2255951635875, + "L2": 1.44198759148876, + "L3": 1.5168932712891, + "a7": 122.80371592719, + "L1": 1.32334869187533, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 112, "omep": null, - "ss": "H", - "a3": 110.550500142347, - "bs": 13.0, - "a2": 111.803007133846, - "a5": 120.544235938652, + "ss": "-", + "a3": 111.289152012415, + "bs": 48.0, + "a2": 110.233873555673, + "a5": 120.646393828115, "sidechain_LEU": null, - "chainIndex": 615, + "chainIndex": 800, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.668033157193 + "a4": 109.932530937298 } }, { "pk": 1533, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 61, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.082987018024, - "psi": -158.331318721989, - "oldID": "401", - "bg": 0.0, + "a6": 116.01575969614, + "psi": 161.338728087913, + "oldID": "802", + "bg": 32.08, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.06269654883, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1535, + "next": 1534, "sidechain_SER": null, - "bm": 46.0, + "bm": 28.0, "xpr": false, - "prev": 1531, + "prev": 1532, "terminal_flag": false, - "phi": -133.051598901573, + "phi": -64.9848977602919, "chainID": "A", "sidechain_GLN": null, - "ome": 179.099951940176, - "chi2": null, + "ome": 178.164322764247, + "chi2": -82.1294417526315, "chi3": null, - "chi1": null, + "chi1": -70.6346264866373, "chi4": null, "chi5": null, - "a1": 122.372677132659, - "L4": 1.52383580037857, - "L5": 1.2329247452444, - "L2": 1.4566375979317, - "L3": null, - "a7": 123.009063130032, - "L1": 1.33727534660397, + "a1": 121.491592570159, + "L4": 1.52638450030594, + "L5": 1.22469924790736, + "L2": 1.45757937541106, + "L3": 1.51764655484892, + "a7": 122.773868966954, + "L1": 1.32457291006053, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.940968651769, - "bs": 0.0, - "a2": null, - "a5": 119.891727815626, + "ss": "S", + "a3": 118.387882310907, + "bs": 33.0, + "a2": 108.682035413804, + "a5": 121.210313467122, "sidechain_LEU": null, - "chainIndex": 400, + "chainIndex": 801, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.40196329543 } }, { "pk": 1534, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.195720559986, - "psi": -39.4782784778895, - "oldID": "617", - "bg": 15.11, + "a6": 117.851630375271, + "psi": -179.28118672987, + "oldID": "803", + "bg": 30.17, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8843534396896, + "protein": "1TWF", + "zeta": 34.1983400295515, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1537, - "sidechain_SER": null, - "bm": 15.0, + "next": 1535, + "sidechain_SER": 76, + "bm": 27.0, "xpr": false, - "prev": 1532, + "prev": 1533, "terminal_flag": false, - "phi": -59.2988386768365, + "phi": -101.021608335298, "chainID": "A", - "sidechain_GLN": 56, - "ome": -178.469129857717, - "chi2": -176.84797272191, - "chi3": -44.7970377415196, - "chi1": -82.8302723908728, + "sidechain_GLN": null, + "ome": 179.105333434493, + "chi2": null, + "chi3": null, + "chi1": 63.1312994425652, "chi4": null, "chi5": null, - "a1": 120.02808935514, - "L4": 1.53250548408149, - "L5": 1.21574988705239, - "L2": 1.45867186360061, - "L3": 1.53886522165306, - "a7": 122.47442364216, - "L1": 1.32800305773086, + "a1": 121.107523221335, + "L4": 1.52806776392107, + "L5": 1.22525248404636, + "L2": 1.45271060333966, + "L3": 1.5343524900156, + "a7": 122.535868475799, + "L1": 1.33105852235149, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.916038341678, - "bs": 15.0, - "a2": 111.225805374416, - "a5": 120.323458601503, + "ss": "-", + "a3": 107.205962867755, + "bs": 28.0, + "a2": 111.339832240046, + "a5": 119.584708204871, "sidechain_LEU": null, - "chainIndex": 616, + "chainIndex": 802, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.527522845887 + "a4": 110.415088793983 } }, { "pk": 1535, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.95056709117, - "psi": 171.24879015109, - "oldID": "402", - "bg": 0.0, + "a6": 116.230943158277, + "psi": -30.283341717534, + "oldID": "804", + "bg": 28.53, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.9705014239753, + "zeta": 34.1676178271911, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -156428,223 +144324,223 @@ "sidechain_TRP": null, "next": 1536, "sidechain_SER": null, - "bm": 43.0, + "bm": 30.0, "xpr": false, - "prev": 1533, + "prev": 1534, "terminal_flag": false, - "phi": -148.403126953827, + "phi": -75.1703738470592, "chainID": "A", "sidechain_GLN": null, - "ome": -178.546479764877, - "chi2": null, + "ome": 179.798836821408, + "chi2": -38.7635281273744, "chi3": null, - "chi1": null, + "chi1": -78.4095346676374, "chi4": null, "chi5": null, - "a1": 122.487916262646, - "L4": 1.51977249618359, - "L5": 1.23145095020288, - "L2": 1.46977046520977, - "L3": 1.5331565422469, - "a7": 122.699322234171, - "L1": 1.33756388336911, + "a1": 120.640930004862, + "L4": 1.51145127692735, + "L5": 1.22368598366487, + "L2": 1.44370700802235, + "L3": 1.52263825288509, + "a7": 123.409941940447, + "L1": 1.3316446305686, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 34, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 109.614597851292, - "bs": 41.0, - "a2": 111.01464542086, - "a5": 120.349115276639, + "ss": "T", + "a3": 108.776182179712, + "bs": 28.0, + "a2": 109.748297410512, + "a5": 120.358446854045, "sidechain_LEU": null, - "chainIndex": 401, + "chainIndex": 803, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.293017276038 + "a4": 111.62660774064 } }, { "pk": 1536, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.59952436198, - "psi": -28.5566018077423, - "oldID": "403", - "bg": 40.63, + "a6": 115.395004170247, + "psi": -44.7813676813468, + "oldID": "805", + "bg": 23.29, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.715429511139, + "zeta": 35.487693768137, "sidechain_PHE": null, - "sidechain_LYS": 103, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1538, + "next": 1537, "sidechain_SER": null, - "bm": 39.0, + "bm": 29.0, "xpr": false, "prev": 1535, "terminal_flag": false, - "phi": -113.92304118734, + "phi": -65.266393632238, "chainID": "A", "sidechain_GLN": null, - "ome": -179.295396493679, - "chi2": 173.644919645254, - "chi3": 86.7515260634615, - "chi1": -68.9950637802606, - "chi4": 168.478881809811, + "ome": -179.659074121912, + "chi2": 57.6152234386145, + "chi3": null, + "chi1": 168.6729478806, + "chi4": null, "chi5": null, - "a1": 120.847728706226, - "L4": 1.51859561301649, - "L5": 1.23231502647432, - "L2": 1.46499487415353, - "L3": 1.53917574159203, - "a7": 123.379470604084, - "L1": 1.33000005379799, + "a1": 121.674660182789, + "L4": 1.5099509631199, + "L5": 1.22765531353744, + "L2": 1.44916176126622, + "L3": 1.52208383799447, + "a7": 123.63529322248, + "L1": 1.32636306860047, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.625408096154, - "bs": 43.0, - "a2": 109.940625837947, - "a5": 121.020819285009, - "sidechain_LEU": null, - "chainIndex": 402, + "ss": "T", + "a3": 109.552924995241, + "bs": 24.0, + "a2": 110.494980167637, + "a5": 120.969548100376, + "sidechain_LEU": 130, + "chainIndex": 804, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.493490565975 + "a4": 108.657600949614 } }, { "pk": 1537, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.581952246921, - "psi": -36.0906972156273, - "oldID": "618", - "bg": 20.43, + "a6": 117.060538961988, + "psi": -32.3968815200966, + "oldID": "806", + "bg": 46.36, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8401264118057, + "protein": "1TWF", + "zeta": 34.266346858159, "sidechain_PHE": null, - "sidechain_LYS": 104, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1539, + "next": 1538, "sidechain_SER": null, - "bm": 14.0, + "bm": 32.0, "xpr": false, - "prev": 1534, + "prev": 1536, "terminal_flag": false, - "phi": -71.6348751638018, + "phi": -72.9811174583755, "chainID": "A", "sidechain_GLN": null, - "ome": 173.645086126533, - "chi2": 164.817168918639, - "chi3": -178.51599008346, - "chi1": -68.6366967168456, - "chi4": 167.611881637294, - "chi5": null, - "a1": 121.261664075166, - "L4": 1.51697832933119, - "L5": 1.24395871147024, - "L2": 1.45758794496961, - "L3": 1.53046199616588, - "a7": 122.543027325384, - "L1": 1.32502043557893, - "sidechain_ARG": null, + "ome": -179.553596533487, + "chi2": -179.004510778654, + "chi3": -176.432768439848, + "chi1": -106.411003039577, + "chi4": 152.19768218838, + "chi5": -0.15093265680429, + "a1": 121.441492040407, + "L4": 1.52829667022524, + "L5": 1.23045750615327, + "L2": 1.44232305170366, + "L3": 1.52215439333277, + "a7": 122.615123390231, + "L1": 1.32379142377566, + "sidechain_ARG": 79, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.115308063678, - "bs": 22.0, - "a2": 110.340136718293, - "a5": 119.861604411703, + "ss": "T", + "a3": 113.900131048399, + "bs": 54.0, + "a2": 109.694410768436, + "a5": 120.324278742723, "sidechain_LEU": null, - "chainIndex": 617, + "chainIndex": 805, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.510067384408 + "a4": 109.835834710732 } }, { "pk": 1538, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 114.28973446933, - "psi": 161.788326965833, - "oldID": "404", - "bg": 34.95, + "a6": 117.349621792671, + "psi": 138.100758293288, + "oldID": "807", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.544286204656, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1540, + "next": 1539, "sidechain_SER": null, - "bm": 41.0, + "bm": 30.0, "xpr": false, - "prev": 1536, + "prev": 1537, "terminal_flag": false, - "phi": -145.343363397607, + "phi": 95.7511245965778, "chainID": "A", "sidechain_GLN": null, - "ome": 178.027113909661, - "chi2": 89.3707065171181, + "ome": -178.867779636036, + "chi2": null, "chi3": null, - "chi1": -59.9126728119433, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.801496224399, - "L4": 1.51541695833921, - "L5": 1.23201547045887, - "L2": 1.45279714478365, - "L3": 1.52545759118487, - "a7": 124.098017218351, - "L1": 1.32830063135995, + "a1": 119.42799553337, + "L4": 1.5267647954034, + "L5": 1.21734657959993, + "L2": 1.45281741561617, + "L3": null, + "a7": 121.819411519006, + "L1": 1.32847532764787, "sidechain_ARG": null, - "sidechain_TYR": 49, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.545744101242, - "bs": 36.0, - "a2": 110.354165921066, - "a5": 121.609275541398, + "ss": "-", + "a3": 111.9498219678, + "bs": 0.0, + "a2": null, + "a5": 120.828675960296, "sidechain_LEU": null, - "chainIndex": 403, + "chainIndex": 806, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.879880942153 + "a4": null } }, { @@ -156654,668 +144550,668 @@ "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.218932369264, - "psi": -45.9463210350637, - "oldID": "619", - "bg": 16.07, + "a6": 116.398579221004, + "psi": 152.968531044013, + "oldID": "808", + "bg": 21.4, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4836602495354, + "protein": "1TWF", + "zeta": 34.1385936886161, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1541, + "next": 1540, "sidechain_SER": null, - "bm": 14.0, + "bm": 26.0, "xpr": false, - "prev": 1537, + "prev": 1538, "terminal_flag": false, - "phi": -63.2029434990817, + "phi": -82.6664706596864, "chainID": "A", "sidechain_GLN": null, - "ome": -178.743817972304, - "chi2": 174.413210083355, + "ome": 178.875237395973, + "chi2": 57.8029875622598, "chi3": null, - "chi1": -64.5689424496352, + "chi1": -71.6813448778233, "chi4": null, "chi5": null, - "a1": 117.994892854534, - "L4": 1.53109142584463, - "L5": 1.23800135851782, - "L2": 1.45735516628258, - "L3": 1.52171534269951, - "a7": 122.751879991961, - "L1": 1.33930991656851, + "a1": 121.100298853266, + "L4": 1.53592222056702, + "L5": 1.23759390996307, + "L2": 1.45014266278663, + "L3": 1.53079686174424, + "a7": 122.055416869736, + "L1": 1.32294072587901, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.836823176629, - "bs": 16.0, - "a2": 112.165287033368, - "a5": 120.004541794437, - "sidechain_LEU": 124, - "chainIndex": 618, + "ss": "-", + "a3": 114.317287528272, + "bs": 19.0, + "a2": 108.823420507611, + "a5": 121.523037329445, + "sidechain_LEU": 131, + "chainIndex": 807, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.97504897844 + "a4": 110.747823521301 } }, { "pk": 1540, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.231280040092, - "psi": 110.983395248492, - "oldID": "405", - "bg": 46.91, + "a6": 118.0188556992, + "psi": 161.031812881927, + "oldID": "809", + "bg": 24.16, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.6246653601724, + "zeta": 34.343407607298, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 106, + "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 77, "sidechain_TRP": null, - "next": 1542, + "next": 1541, "sidechain_SER": null, - "bm": 48.0, + "bm": 25.0, "xpr": false, - "prev": 1538, + "prev": 1539, "terminal_flag": false, - "phi": -137.41270512713, + "phi": -79.8022225176493, "chainID": "A", "sidechain_GLN": null, - "ome": -179.857563283951, + "ome": -179.618916935795, "chi2": null, "chi3": null, - "chi1": -178.184072869154, + "chi1": 56.542269817303, "chi4": null, "chi5": null, - "a1": 123.919813144611, - "L4": 1.52619402198934, - "L5": 1.22925296248006, - "L2": 1.44891572131009, - "L3": 1.55035979407685, - "a7": 122.757027368164, - "L1": 1.32536831739825, + "a1": 120.329395211531, + "L4": 1.53364211000653, + "L5": 1.23317448207469, + "L2": 1.44421153734983, + "L3": 1.54295695107517, + "a7": 121.2705814471, + "L1": 1.32379780390627, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 102.233367377568, - "bs": 47.0, - "a2": 111.373859607103, - "a5": 119.956479451215, + "ss": "-", + "a3": 104.981585901106, + "bs": 24.0, + "a2": 110.445644888675, + "a5": 120.708008249893, "sidechain_LEU": null, - "chainIndex": 404, + "chainIndex": 808, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.548869983925 + "a4": 111.849438971414 } }, { "pk": 1541, "model": "pgd_core.residue", "fields": { - "aa": "l", - "sidechain_PRO": null, + "aa": "p", + "sidechain_PRO": 89, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.87466934316, - "psi": -24.1188873747145, - "oldID": "620", - "bg": 17.51, + "a6": 117.330943344596, + "psi": -36.1659778496353, + "oldID": "810", + "bg": 28.14, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6428833040632, + "protein": "1TWF", + "zeta": 35.1996060086342, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1543, + "next": 1542, "sidechain_SER": null, - "bm": 15.0, + "bm": 26.0, "xpr": false, - "prev": 1539, + "prev": 1540, "terminal_flag": false, - "phi": -69.8631845666116, + "phi": -54.6599072880354, "chainID": "A", "sidechain_GLN": null, - "ome": 179.192047602796, - "chi2": -76.6993238021641, - "chi3": null, - "chi1": -87.673332305685, - "chi4": null, + "ome": 178.028263601859, + "chi2": -33.768726583879, + "chi3": 32.2163627375997, + "chi1": 21.4353524940058, + "chi4": -18.9799179550194, "chi5": null, - "a1": 120.233757423412, - "L4": 1.53680208028082, - "L5": 1.21900739727432, - "L2": 1.47128483024912, - "L3": 1.52825060076007, - "a7": 122.07917184087, - "L1": 1.34333431297615, + "a1": 116.429531463668, + "L4": 1.54468700326041, + "L5": 1.23142086993353, + "L2": 1.47030350168562, + "L3": 1.54046182601754, + "a7": 122.550072525711, + "L1": 1.33432239513602, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": null, + "omep": 2.33687501442052, "ss": "H", - "a3": 111.950192842634, - "bs": 17.0, - "a2": 112.164982308535, - "a5": 121.044983685354, - "sidechain_LEU": 125, - "chainIndex": 619, + "a3": 113.88929305199, + "bs": 25.0, + "a2": 103.602914660822, + "a5": 120.088234072887, + "sidechain_LEU": null, + "chainIndex": 809, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.063210648429 + "a4": 114.535193097804 } }, { "pk": 1542, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.6055140946, - "psi": 129.167564099978, - "oldID": "406", - "bg": 52.56, + "a6": 117.988345316055, + "psi": -48.6198003692271, + "oldID": "811", + "bg": 27.58, "sidechain_CYS": null, - "sidechain_ILE": 85, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7217545394255, + "zeta": 34.0289149767588, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1544, + "next": 1543, "sidechain_SER": null, - "bm": 56.0, + "bm": 26.0, "xpr": false, - "prev": 1540, + "prev": 1541, "terminal_flag": false, - "phi": -96.9596389642137, + "phi": -69.0058561143043, "chainID": "A", - "sidechain_GLN": null, - "ome": -179.390522291604, - "chi2": 76.7149749166249, - "chi3": null, - "chi1": -63.9529403094809, + "sidechain_GLN": 66, + "ome": 179.473393220769, + "chi2": 102.014280421656, + "chi3": -62.4230468033039, + "chi1": -63.2602644806401, "chi4": null, "chi5": null, - "a1": 121.383313409774, - "L4": 1.52320116997094, - "L5": 1.23295492030783, - "L2": 1.4624101072891, - "L3": 1.55407533414545, - "a7": 122.896768041338, - "L1": 1.33062362283758, + "a1": 120.752506547199, + "L4": 1.55444510898261, + "L5": 1.23824428420494, + "L2": 1.45530345114002, + "L3": 1.56268336192957, + "a7": 121.753984544323, + "L1": 1.33469417503751, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.619903306937, - "bs": 53.0, - "a2": 112.207523045524, - "a5": 120.497404460804, + "ss": "H", + "a3": 107.739874471326, + "bs": 27.0, + "a2": 112.376629676275, + "a5": 120.257466048722, "sidechain_LEU": null, - "chainIndex": 405, + "chainIndex": 810, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.539644593681 + "a4": 109.635557083294 } }, { "pk": 1543, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.905836102833, - "psi": -32.8394720175848, - "oldID": "621", - "bg": 0.0, + "a6": 115.533107707014, + "psi": -31.8262366513629, + "oldID": "812", + "bg": 25.3, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4876843260266, + "protein": "1TWF", + "zeta": 33.9083237124823, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1545, + "next": 1544, "sidechain_SER": null, - "bm": 15.0, + "bm": 25.0, "xpr": false, - "prev": 1541, + "prev": 1542, "terminal_flag": false, - "phi": -71.5903281852863, + "phi": -58.5048395929053, "chainID": "A", "sidechain_GLN": null, - "ome": 178.62400304778, - "chi2": null, - "chi3": null, - "chi1": null, + "ome": 179.783763199169, + "chi2": 178.210686599485, + "chi3": -55.6359916659579, + "chi1": -62.7643746915652, "chi4": null, "chi5": null, - "a1": 119.549739523308, - "L4": 1.53326445680174, - "L5": 1.23960974883812, - "L2": 1.44497736225341, - "L3": 1.52756124833817, - "a7": 122.690148129492, - "L1": 1.32391175424789, + "a1": 119.763308360976, + "L4": 1.53280589786041, + "L5": 1.23260575648881, + "L2": 1.46398783568589, + "L3": 1.53712346462354, + "a7": 123.653622315776, + "L1": 1.33866444927689, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 113, "omep": null, "ss": "H", - "a3": 108.885857652795, - "bs": 14.0, - "a2": 110.630124296874, - "a5": 120.393566242291, + "a3": 110.728102209439, + "bs": 26.0, + "a2": 112.19772643189, + "a5": 120.80821163407, "sidechain_LEU": null, - "chainIndex": 620, + "chainIndex": 811, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.63674311787 + "a4": 108.832439881675 } }, { "pk": 1544, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.829768599271, - "psi": 159.437862026496, - "oldID": "407", - "bg": 67.81, + "a6": 116.60399716762, + "psi": -57.8169627430595, + "oldID": "813", + "bg": 17.34, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7529779583423, - "sidechain_PHE": null, + "zeta": 34.6932344534139, + "sidechain_PHE": 63, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1546, + "next": 1545, "sidechain_SER": null, - "bm": 66.0, + "bm": 21.0, "xpr": false, - "prev": 1542, + "prev": 1543, "terminal_flag": false, - "phi": -89.006254026345, + "phi": -65.2337221167904, "chainID": "A", "sidechain_GLN": null, - "ome": 179.687795119172, - "chi2": 146.93004853824, - "chi3": 67.8811258689807, - "chi1": -65.5803685365044, - "chi4": -156.632339843056, - "chi5": 0.310221385587091, - "a1": 121.670882357206, - "L4": 1.52557094491903, - "L5": 1.23200086848981, - "L2": 1.46100246565609, - "L3": 1.5299797998048, - "a7": 123.290605867627, - "L1": 1.32893013455315, - "sidechain_ARG": 77, + "ome": -179.404194287293, + "chi2": 85.8039182436448, + "chi3": null, + "chi1": -174.579836810795, + "chi4": null, + "chi5": null, + "a1": 122.646108719285, + "L4": 1.53138590767376, + "L5": 1.23451966928363, + "L2": 1.45031626230018, + "L3": 1.52422850804764, + "a7": 122.10630318925, + "L1": 1.33222153752645, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.850147711983, - "bs": 70.0, - "a2": 109.950459384875, - "a5": 120.878419109264, + "ss": "H", + "a3": 109.31904901032, + "bs": 16.0, + "a2": 109.727170439534, + "a5": 121.261490701138, "sidechain_LEU": null, - "chainIndex": 406, + "chainIndex": 812, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.550357632043 + "a4": 110.569632518985 } }, { "pk": 1545, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.949895590517, - "psi": -39.4042108012562, - "oldID": "622", - "bg": 20.21, + "a6": 117.626960139785, + "psi": -43.3514645759931, + "oldID": "814", + "bg": 16.28, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1960003213349, - "sidechain_PHE": null, - "sidechain_LYS": 105, + "protein": "1TWF", + "zeta": 33.9948610417629, + "sidechain_PHE": 64, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1547, + "next": 1546, "sidechain_SER": null, - "bm": 17.0, + "bm": 20.0, "xpr": false, - "prev": 1543, + "prev": 1544, "terminal_flag": false, - "phi": -82.9429030045095, + "phi": -58.2323329040663, "chainID": "A", "sidechain_GLN": null, - "ome": -179.197656081812, - "chi2": 168.804989006298, - "chi3": 154.367544985382, - "chi1": -69.2948679755562, - "chi4": -162.252005448778, + "ome": -179.785516996846, + "chi2": 74.121237364064, + "chi3": null, + "chi1": -163.548538663569, + "chi4": null, "chi5": null, - "a1": 120.924325124217, - "L4": 1.53127679109607, - "L5": 1.24394970450314, - "L2": 1.4741222972577, - "L3": 1.52773938923302, - "a7": 122.792621130772, - "L1": 1.33060229898004, + "a1": 119.469543213316, + "L4": 1.55058645386959, + "L5": 1.24003772133498, + "L2": 1.44856326032766, + "L3": 1.52883155518781, + "a7": 121.906510903873, + "L1": 1.32305886113356, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.306830917502, - "bs": 21.0, - "a2": 110.686163874814, - "a5": 121.187879263739, + "a3": 111.766413057492, + "bs": 16.0, + "a2": 110.304580694912, + "a5": 120.459446314711, "sidechain_LEU": null, - "chainIndex": 621, + "chainIndex": 813, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.899029513953 + "a4": 110.211842828171 } }, { "pk": 1546, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 91, - "a6": 115.61258629876, - "psi": -56.8746409420272, - "oldID": "408", - "bg": 77.77, + "sidechain_ASP": null, + "a6": 115.722700318615, + "psi": -48.4663554414451, + "oldID": "815", + "bg": 23.84, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.1630490550429, - "sidechain_PHE": null, + "zeta": 34.0174507322251, + "sidechain_PHE": 65, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1548, + "next": 1547, "sidechain_SER": null, - "bm": 74.0, + "bm": 24.0, "xpr": false, - "prev": 1544, + "prev": 1545, "terminal_flag": false, - "phi": -33.0449975848297, + "phi": -59.6084140869922, "chainID": "A", "sidechain_GLN": null, - "ome": -178.803580615535, - "chi2": -25.9118576354438, + "ome": 178.716941171533, + "chi2": -25.3400163596754, "chi3": null, - "chi1": -84.5197831966336, + "chi1": -71.9853351444838, "chi4": null, "chi5": null, - "a1": 122.708009994285, - "L4": 1.52371421219172, - "L5": 1.23411804319703, - "L2": 1.46172314700375, - "L3": 1.53169455865724, - "a7": 123.406431971002, - "L1": 1.33008299121719, + "a1": 120.512714477068, + "L4": 1.51909086283333, + "L5": 1.23428564268939, + "L2": 1.46476328829107, + "L3": 1.53847762793403, + "a7": 122.989848305551, + "L1": 1.33122609408681, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.713934882981, - "bs": 77.0, - "a2": 109.951619509201, - "a5": 120.980052622085, + "ss": "H", + "a3": 109.798162366768, + "bs": 25.0, + "a2": 110.644493431333, + "a5": 121.261019222889, "sidechain_LEU": null, - "chainIndex": 407, + "chainIndex": 814, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.439438467244 + "a4": 110.64221008603 } }, { "pk": 1547, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.350553750966, - "psi": 91.1614654952459, - "oldID": "623", - "bg": 18.06, + "a6": 117.877955004972, + "psi": -31.3915400642189, + "oldID": "816", + "bg": 27.65, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2042818991808, + "protein": "1TWF", + "zeta": 34.7511024472121, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 78, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1549, + "next": 1548, "sidechain_SER": null, - "bm": 16.0, + "bm": 27.0, "xpr": false, - "prev": 1545, + "prev": 1546, "terminal_flag": false, - "phi": -131.03316272349, + "phi": -61.589542026409, "chainID": "A", "sidechain_GLN": null, - "ome": -173.328039348749, + "ome": 179.388890284294, "chi2": null, "chi3": null, - "chi1": -51.1283316949716, + "chi1": -175.143546335126, "chi4": null, "chi5": null, - "a1": 121.816976681638, - "L4": 1.51739159304317, - "L5": 1.24457730707306, - "L2": 1.45352972102518, - "L3": 1.52453173173644, - "a7": 122.841486279372, - "L1": 1.32456805993327, + "a1": 120.602789945607, + "L4": 1.5235026685003, + "L5": 1.22744873219002, + "L2": 1.44996241871801, + "L3": 1.51936405895271, + "a7": 122.631753916074, + "L1": 1.32508323866413, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.652672087254, - "bs": 17.0, - "a2": 109.589500547237, - "a5": 120.801201198642, + "ss": "H", + "a3": 111.31427807659, + "bs": 29.0, + "a2": 110.667291951808, + "a5": 119.482066341694, "sidechain_LEU": null, - "chainIndex": 622, - "sidechain_HIS": null, + "chainIndex": 815, + "sidechain_HIS": 53, "h_bond_energy": 0.0, - "a4": 109.925335902718 + "a4": 108.941961672021 } }, { "pk": 1548, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.723524989262, - "psi": -10.194160671839, - "oldID": "409", - "bg": 79.44, + "a6": 117.356617832993, + "psi": -27.6806951557709, + "oldID": "817", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7126510811371, + "zeta": 33.2492750299107, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1550, - "sidechain_SER": 78, - "bm": 76.0, + "next": 1549, + "sidechain_SER": null, + "bm": 22.0, "xpr": false, - "prev": 1546, + "prev": 1547, "terminal_flag": false, - "phi": -60.4577743557037, + "phi": -73.2928250542703, "chainID": "A", "sidechain_GLN": null, - "ome": 179.918740421573, + "ome": 177.963436963077, "chi2": null, "chi3": null, - "chi1": 55.660537156081, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.525704785642, - "L4": 1.52312555698542, - "L5": 1.2318980043491, - "L2": 1.45784777668486, - "L3": 1.52237296309165, - "a7": 122.811815392058, - "L1": 1.32883667384867, + "a1": 118.877391451706, + "L4": 1.54044018934846, + "L5": 1.23340528140855, + "L2": 1.45720619669223, + "L3": 1.5476323487335, + "a7": 122.313525152595, + "L1": 1.33375521687244, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.431897263779, - "bs": 78.0, - "a2": 109.46069437229, - "a5": 120.464618956452, + "ss": "H", + "a3": 109.962032004434, + "bs": 16.0, + "a2": 111.916034700075, + "a5": 120.317109739359, "sidechain_LEU": null, - "chainIndex": 408, + "chainIndex": 816, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.238701508998 + "a4": 110.442011003657 } }, { "pk": 1549, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 83, + "aa": "m", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 120.463786633263, - "psi": -24.7910016513042, - "oldID": "624", - "bg": 17.95, + "a6": 116.837405097452, + "psi": -41.0317415509438, + "oldID": "818", + "bg": 18.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.4497457532259, + "protein": "1TWF", + "zeta": 33.1509148926914, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 40, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1551, + "next": 1550, "sidechain_SER": null, - "bm": 16.0, + "bm": 18.0, "xpr": false, - "prev": 1547, + "prev": 1548, "terminal_flag": false, - "phi": -67.4757169839254, + "phi": -71.6933878949466, "chainID": "A", "sidechain_GLN": null, - "ome": -177.646236588706, - "chi2": -42.800958152298, - "chi3": 39.0594110817912, - "chi1": 28.4737655430153, - "chi4": -20.8913784075288, + "ome": 179.777615850783, + "chi2": 165.317918804282, + "chi3": 81.4843443929986, + "chi1": -67.6759734588875, + "chi4": null, "chi5": null, - "a1": 121.961457529916, - "L4": 1.51566262575536, - "L5": 1.22451593682638, - "L2": 1.46587095959796, - "L3": 1.51888622625151, - "a7": 123.265710972504, - "L1": 1.33060375750554, + "a1": 119.628303188159, + "L4": 1.54728106693915, + "L5": 1.2319882610585, + "L2": 1.45475485841263, + "L3": 1.54111851967907, + "a7": 123.025557789708, + "L1": 1.33266706075239, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 1.29776270582404, - "ss": "-", - "a3": 119.795159374493, - "bs": 16.0, - "a2": 103.155381626897, - "a5": 116.269385855131, + "omep": null, + "ss": "H", + "a3": 107.806402697814, + "bs": 18.0, + "a2": 111.959717943398, + "a5": 120.082180707876, "sidechain_LEU": null, - "chainIndex": 623, + "chainIndex": 817, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.168799125889 + "a4": 111.152956929301 } }, { @@ -157327,9 +145223,9 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.809004107188, - "psi": 6.45731845786664, - "oldID": "410", + "a6": 113.677755479646, + "psi": -54.3085921949792, + "oldID": "819", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, @@ -157341,39 +145237,39 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1552, + "next": 1551, "sidechain_SER": null, - "bm": 76.0, + "bm": 24.0, "xpr": false, - "prev": 1548, + "prev": 1549, "terminal_flag": false, - "phi": 98.0923639461143, + "phi": -61.4075632703181, "chainID": "A", "sidechain_GLN": null, - "ome": 179.413847711983, + "ome": 179.012511342737, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.198008152241, - "L4": 1.51874643140537, - "L5": 1.2296266195883, - "L2": 1.45298633232559, + "a1": 121.443028509071, + "L4": 1.5172130328253, + "L5": 1.23716648126688, + "L2": 1.45159902337752, "L3": null, - "a7": 122.849058787561, - "L1": 1.32871781574387, + "a7": 123.900231271182, + "L1": 1.33557182927409, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.831297608988, + "ss": "H", + "a3": 107.284863560752, "bs": 0.0, "a2": null, - "a5": 120.34134200101, + "a5": 122.387009198524, "sidechain_LEU": null, - "chainIndex": 409, + "chainIndex": 818, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null @@ -157386,15 +145282,15 @@ "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.825449425724, - "psi": -150.215053196565, - "oldID": "625", + "a6": 117.598774649636, + "psi": -51.089853500866, + "oldID": "820", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", + "protein": "1TWF", "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, @@ -157402,39 +145298,39 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1553, + "next": 1552, "sidechain_SER": null, - "bm": 19.0, + "bm": 25.0, "xpr": false, - "prev": 1549, + "prev": 1550, "terminal_flag": false, - "phi": 57.3260161576888, + "phi": -51.0542386456857, "chainID": "A", "sidechain_GLN": null, - "ome": -171.611491448783, + "ome": 179.702947437184, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 119.328571143981, - "L4": 1.52291353327211, - "L5": 1.2302509249316, - "L2": 1.45162529630287, + "a1": 122.745724159919, + "L4": 1.51506865846545, + "L5": 1.2328484010869, + "L2": 1.45312538090588, "L3": null, - "a7": 123.488117373251, - "L1": 1.32429435426778, + "a7": 122.719155554118, + "L1": 1.32484350350526, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.074961351871, + "ss": "H", + "a3": 114.069191004552, "bs": 0.0, "a2": null, - "a5": 119.642173183442, + "a5": 119.677186192246, "sidechain_LEU": null, - "chainIndex": 624, + "chainIndex": 819, "sidechain_HIS": null, "h_bond_energy": 0.0, "a4": null @@ -157444,183 +145340,183 @@ "pk": 1552, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 92, - "a6": 116.474621685667, - "psi": 134.899106711685, - "oldID": "411", - "bg": 81.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.422962173172, + "sidechain_ASP": null, + "a6": 116.757013710098, + "psi": -46.4586221752208, + "oldID": "821", + "bg": 31.34, + "sidechain_CYS": null, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 34.4059884760617, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1554, + "next": 1553, "sidechain_SER": null, - "bm": 73.0, + "bm": 29.0, "xpr": false, - "prev": 1550, + "prev": 1551, "terminal_flag": false, - "phi": -71.7332205252549, + "phi": -49.6120289489306, "chainID": "A", "sidechain_GLN": null, - "ome": 179.051776957482, - "chi2": -61.8104180678786, - "chi3": null, - "chi1": -76.3020008605535, - "chi4": null, - "chi5": null, - "a1": 122.224402397172, - "L4": 1.51900677376706, - "L5": 1.22936972341119, - "L2": 1.46060110434279, - "L3": 1.53150357775691, - "a7": 123.306674111317, - "L1": 1.33149530024052, - "sidechain_ARG": null, + "ome": -179.835577901277, + "chi2": 82.3544152013286, + "chi3": 116.592222111484, + "chi1": 174.654837960875, + "chi4": -119.546118630929, + "chi5": -0.837809627237219, + "a1": 120.306017995514, + "L4": 1.53413921754184, + "L5": 1.23478059718234, + "L2": 1.4573458412527, + "L3": 1.53229645062867, + "a7": 122.708631291847, + "L1": 1.32957042556741, + "sidechain_ARG": 80, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.310360927896, - "bs": 81.0, - "a2": 110.44320335872, - "a5": 120.214355448735, + "ss": "H", + "a3": 111.236542418893, + "bs": 34.0, + "a2": 110.908562638981, + "a5": 120.529576269023, "sidechain_LEU": null, - "chainIndex": 410, + "chainIndex": 820, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.313057323822 + "a4": 109.257754757311 } }, { "pk": 1553, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.325812116747, - "psi": -33.9421233944486, - "oldID": "626", - "bg": 25.8, + "a6": 116.9471011847, + "psi": -35.299761433677, + "oldID": "822", + "bg": 43.69, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.2621389324334, + "protein": "1TWF", + "zeta": 34.5005961527809, "sidechain_PHE": null, - "sidechain_LYS": 106, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1555, + "next": 1554, "sidechain_SER": null, - "bm": 20.0, + "bm": 36.0, "xpr": false, - "prev": 1551, + "prev": 1552, "terminal_flag": false, - "phi": -69.3492894992405, + "phi": -53.1361200621819, "chainID": "A", "sidechain_GLN": null, - "ome": -174.292737385736, - "chi2": 162.818661127097, - "chi3": -162.312572697408, - "chi1": -55.4563860442804, - "chi4": -155.435211142133, + "ome": 179.728512310265, + "chi2": -171.954337671693, + "chi3": 21.59529222571, + "chi1": -155.681266448808, + "chi4": null, "chi5": null, - "a1": 123.439584798104, - "L4": 1.50373548767696, - "L5": 1.24377020889366, - "L2": 1.47559298369481, - "L3": 1.52758334768068, - "a7": 123.398832883276, - "L1": 1.33561353564337, + "a1": 121.368727410413, + "L4": 1.53375319229318, + "L5": 1.22510287773879, + "L2": 1.45919095069777, + "L3": 1.5350036205583, + "a7": 122.773641633338, + "L1": 1.33112727393108, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 114, "omep": null, - "ss": "T", - "a3": 116.211378139347, - "bs": 25.0, - "a2": 111.114834833771, - "a5": 121.156153217561, + "ss": "H", + "a3": 109.944293815404, + "bs": 43.0, + "a2": 110.489076224765, + "a5": 120.27597012397, "sidechain_LEU": null, - "chainIndex": 625, + "chainIndex": 821, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 103.689452016249 + "a4": 109.961166088061 } }, { "pk": 1554, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.873956207406, - "psi": 133.19932213688, - "oldID": "412", - "bg": 62.16, + "a6": 116.682533043469, + "psi": -43.1358554355656, + "oldID": "823", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.3151750663651, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1556, + "next": 1555, "sidechain_SER": null, - "bm": 62.0, + "bm": 38.0, "xpr": false, - "prev": 1552, + "prev": 1553, "terminal_flag": false, - "phi": -98.8506907346007, + "phi": -69.0686501008108, "chainID": "A", "sidechain_GLN": null, - "ome": 179.471868251531, - "chi2": 173.833038598587, - "chi3": 168.990189075232, - "chi1": -89.4927867655701, - "chi4": -78.9262471831174, - "chi5": -0.75701322583141, - "a1": 121.954394183573, - "L4": 1.51562337211087, - "L5": 1.23227857373164, - "L2": 1.45977458563052, - "L3": 1.5188924102554, - "a7": 123.159990773714, - "L1": 1.33142454386969, - "sidechain_ARG": 78, + "ome": 179.259376435067, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 119.976912781382, + "L4": 1.52003265509548, + "L5": 1.228085217892, + "L2": 1.44834354503275, + "L3": null, + "a7": 122.616706502569, + "L1": 1.32964331632074, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 111.891720840817, - "bs": 64.0, - "a2": 110.816995140136, - "a5": 120.957510613893, + "ss": "H", + "a3": 113.218414213365, + "bs": 0.0, + "a2": null, + "a5": 120.700520869435, "sidechain_LEU": null, - "chainIndex": 411, + "chainIndex": 822, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.792543540821 + "a4": null } }, { @@ -157630,58 +145526,58 @@ "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.619196317981, - "psi": 80.4676166398525, - "oldID": "627", - "bg": 21.16, + "a6": 116.240557681993, + "psi": -41.9887869266596, + "oldID": "824", + "bg": 46.63, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2661618655753, + "protein": "1TWF", + "zeta": 34.6590927395267, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1557, + "next": 1556, "sidechain_SER": null, - "bm": 18.0, + "bm": 45.0, "xpr": false, - "prev": 1553, + "prev": 1554, "terminal_flag": false, - "phi": -162.325795125807, + "phi": -60.4697141019636, "chainID": "A", "sidechain_GLN": null, - "ome": -177.053877339999, - "chi2": 81.7641185027909, + "ome": -179.544811064624, + "chi2": 169.495522713713, "chi3": null, - "chi1": -174.286892998441, + "chi1": -62.6605633451945, "chi4": null, "chi5": null, - "a1": 118.992664687587, - "L4": 1.51758769262794, - "L5": 1.22044162373999, - "L2": 1.42676844257372, - "L3": 1.52534076300516, - "a7": 122.816801529093, - "L1": 1.32045340633909, + "a1": 121.69870419731, + "L4": 1.52595698305648, + "L5": 1.23302229483439, + "L2": 1.45178171981518, + "L3": 1.53627686318112, + "a7": 122.973291984865, + "L1": 1.32757811588085, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.400808866823, - "bs": 20.0, - "a2": 108.489274911365, - "a5": 120.553313130589, - "sidechain_LEU": 126, - "chainIndex": 626, + "ss": "H", + "a3": 109.53280097909, + "bs": 46.0, + "a2": 109.826807711325, + "a5": 120.77724496508, + "sidechain_LEU": 132, + "chainIndex": 823, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.648622790278 + "a4": 110.630923467654 } }, { @@ -157693,178 +145589,178 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.516792976318, - "psi": 110.667839095774, - "oldID": "413", - "bg": 46.58, + "a6": 116.705910900171, + "psi": -46.8099526538719, + "oldID": "825", + "bg": 49.71, "sidechain_CYS": null, - "sidechain_ILE": 86, + "sidechain_ILE": 90, "protein": "1TWF", - "zeta": 34.9378649751865, + "zeta": 34.569350259262, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1558, + "next": 1557, "sidechain_SER": null, - "bm": 54.0, + "bm": 50.0, "xpr": false, - "prev": 1554, + "prev": 1555, "terminal_flag": false, - "phi": -114.94545358917, + "phi": -69.1661653727186, "chainID": "A", "sidechain_GLN": null, - "ome": -179.601555158114, - "chi2": 174.796063211149, + "ome": 179.93764542616, + "chi2": 169.264691863509, "chi3": null, - "chi1": -51.2298545634058, + "chi1": -50.1047669934409, "chi4": null, "chi5": null, - "a1": 121.005763940449, - "L4": 1.51783925146834, - "L5": 1.22313373316808, - "L2": 1.45070723317379, - "L3": 1.53399042055444, - "a7": 123.123922300771, - "L1": 1.32625945850676, + "a1": 120.842262239425, + "L4": 1.5299093738358, + "L5": 1.23247778346133, + "L2": 1.45211014738424, + "L3": 1.54646435178525, + "a7": 122.962874145426, + "L1": 1.32771313665445, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 108.029293361742, - "bs": 47.0, - "a2": 111.228729060637, - "a5": 120.358956940736, + "ss": "H", + "a3": 112.647522452849, + "bs": 48.0, + "a2": 111.518994477242, + "a5": 120.330252360131, "sidechain_LEU": null, - "chainIndex": 412, + "chainIndex": 824, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.239277584272 + "a4": 108.176059725046 } }, { "pk": 1557, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.327386685573, - "psi": -23.8924169687286, - "oldID": "628", - "bg": 0.0, + "chain": "1TWFA", + "sidechain_ASP": 99, + "a6": 116.089118388364, + "psi": -34.0433810865814, + "oldID": "826", + "bg": 60.15, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8403381891951, + "protein": "1TWF", + "zeta": 34.5135658746531, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1559, + "next": 1558, "sidechain_SER": null, - "bm": 16.0, + "bm": 55.0, "xpr": false, - "prev": 1555, + "prev": 1556, "terminal_flag": false, - "phi": -77.6012362527943, + "phi": -62.0777091309453, "chainID": "A", "sidechain_GLN": null, - "ome": -171.219296283887, - "chi2": null, + "ome": 179.213940571658, + "chi2": -3.55170407327266, "chi3": null, - "chi1": null, + "chi1": -67.7657846543188, "chi4": null, "chi5": null, - "a1": 121.159434805889, - "L4": 1.51720941342491, - "L5": 1.23831503759628, - "L2": 1.45613883669439, - "L3": 1.54524636132758, - "a7": 123.128165217958, - "L1": 1.32702333676481, + "a1": 121.730267215887, + "L4": 1.5133814544443, + "L5": 1.22788789542302, + "L2": 1.45914631872421, + "L3": 1.53019094607129, + "a7": 123.168115247519, + "L1": 1.33100381610635, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 115.159963253246, - "bs": 16.0, - "a2": 110.408878014425, - "a5": 119.543449257605, + "ss": "H", + "a3": 110.546379016136, + "bs": 60.0, + "a2": 110.491947966935, + "a5": 120.742734220049, "sidechain_LEU": null, - "chainIndex": 627, + "chainIndex": 825, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.444152783449 + "a4": 109.821598728326 } }, { "pk": 1558, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 93, - "a6": 116.721542458436, - "psi": 106.438205693106, - "oldID": "414", - "bg": 53.09, + "sidechain_ASP": null, + "a6": 117.132901584331, + "psi": -39.3484587285786, + "oldID": "827", + "bg": 53.01, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.4812945557685, + "zeta": 34.2957486569876, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 78, "sidechain_TRP": null, - "next": 1560, + "next": 1559, "sidechain_SER": null, - "bm": 55.0, + "bm": 56.0, "xpr": false, - "prev": 1556, + "prev": 1557, "terminal_flag": false, - "phi": -75.8380662714194, + "phi": -66.9564357239981, "chainID": "A", "sidechain_GLN": null, - "ome": -178.976261862632, - "chi2": -31.1694180877255, + "ome": 179.678230837083, + "chi2": null, "chi3": null, - "chi1": -165.49861105415, + "chi1": -72.7204479645089, "chi4": null, "chi5": null, - "a1": 121.580371496841, - "L4": 1.5239022222091, - "L5": 1.23108012654328, - "L2": 1.45639103086497, - "L3": 1.52222362937786, - "a7": 123.117268068, - "L1": 1.32762903115347, + "a1": 120.786843621097, + "L4": 1.5244794627661, + "L5": 1.22899190991602, + "L2": 1.44603118310013, + "L3": 1.55457417332965, + "a7": 122.712116749385, + "L1": 1.32542946612548, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 110.497459155067, - "bs": 52.0, - "a2": 109.61248859696, - "a5": 120.153655229148, + "ss": "H", + "a3": 109.752326441412, + "bs": 51.0, + "a2": 111.310379597751, + "a5": 120.154367325526, "sidechain_LEU": null, - "chainIndex": 413, + "chainIndex": 826, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.178296007036 + "a4": 109.859010150397 } }, { @@ -157874,363 +145770,363 @@ "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.926397257678, - "psi": -50.1476986226063, - "oldID": "629", + "a6": 115.777329141406, + "psi": -40.4063857433289, + "oldID": "828", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.2012864706188, + "protein": "1TWF", + "zeta": 34.4440354384824, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1561, + "next": 1560, "sidechain_SER": null, - "bm": 15.0, + "bm": 59.0, "xpr": false, - "prev": 1557, + "prev": 1558, "terminal_flag": false, - "phi": -48.8978209413172, + "phi": -64.1742492312636, "chainID": "A", "sidechain_GLN": null, - "ome": -177.746161137972, + "ome": 179.1015508393, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 121.493824259044, - "L4": 1.54413062911949, - "L5": 1.24064259174648, - "L2": 1.47553817431933, - "L3": 1.54849675522337, - "a7": 120.667130445333, - "L1": 1.33419520910129, + "a1": 120.718362651414, + "L4": 1.52564237877594, + "L5": 1.23292123419558, + "L2": 1.45772430752172, + "L3": 1.51808946660195, + "a7": 123.391733333827, + "L1": 1.33051345496725, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 120.07279971997, - "bs": 18.0, - "a2": 111.095770889909, - "a5": 120.361199533959, + "a3": 109.510603821616, + "bs": 59.0, + "a2": 110.311680826589, + "a5": 120.830822645362, "sidechain_LEU": null, - "chainIndex": 628, + "chainIndex": 827, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.737887744222 + "a4": 110.198179468898 } }, { "pk": 1560, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.371480730515, - "psi": -14.1327219015945, - "oldID": "415", - "bg": 49.01, + "a6": 116.413171372061, + "psi": -52.9830783334995, + "oldID": "829", + "bg": 63.82, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.6860882091596, + "zeta": 35.2842961007713, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 118, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1562, + "next": 1561, "sidechain_SER": null, - "bm": 55.0, + "bm": 65.0, "xpr": false, - "prev": 1558, + "prev": 1559, "terminal_flag": false, - "phi": -59.5724623670655, + "phi": -69.5715156961868, "chainID": "A", "sidechain_GLN": null, - "ome": 179.848200334301, - "chi2": -177.731609481819, + "ome": 179.365289895436, + "chi2": null, "chi3": null, - "chi1": -62.1271727491949, + "chi1": 166.495998419727, "chi4": null, "chi5": null, - "a1": 122.68615070082, - "L4": 1.52655407305342, - "L5": 1.23465628218741, - "L2": 1.46560214502196, - "L3": 1.5318248559227, - "a7": 122.214210491204, - "L1": 1.33094434584383, + "a1": 122.258425215569, + "L4": 1.51853322835863, + "L5": 1.2258931231417, + "L2": 1.45153216769198, + "L3": 1.53326825807747, + "a7": 123.20793024094, + "L1": 1.32934272477773, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 117.627829350815, - "bs": 48.0, - "a2": 109.888509247986, - "a5": 120.411861255439, - "sidechain_LEU": 127, - "chainIndex": 414, + "ss": "H", + "a3": 109.331190431004, + "bs": 64.0, + "a2": 111.24074282314, + "a5": 120.378239619676, + "sidechain_LEU": null, + "chainIndex": 828, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.019546791979 + "a4": 108.32995061619 } }, { "pk": 1561, "model": "pgd_core.residue", "fields": { - "aa": "p", - "sidechain_PRO": 84, + "aa": "k", + "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.852343817549, - "psi": -34.0531242423422, - "oldID": "630", - "bg": 17.28, + "a6": 116.473857749399, + "psi": -34.0570305686069, + "oldID": "830", + "bg": 74.43, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.122297727115, + "protein": "1TWF", + "zeta": 35.2700717623075, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 95, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1563, + "next": 1562, "sidechain_SER": null, - "bm": 15.0, + "bm": 71.0, "xpr": false, - "prev": 1559, + "prev": 1560, "terminal_flag": false, - "phi": -63.050600331255, + "phi": -53.5562893901364, "chainID": "A", "sidechain_GLN": null, - "ome": -179.028608917438, - "chi2": 32.4914634999501, - "chi3": -31.3341156506919, - "chi1": -20.1887552773405, - "chi4": 19.045247297862, + "ome": -179.581501714553, + "chi2": 77.8951980734275, + "chi3": -178.497689760464, + "chi1": -115.407984114231, + "chi4": -173.943332881006, "chi5": null, - "a1": 118.468968381001, - "L4": 1.52043970892082, - "L5": 1.23548571832547, - "L2": 1.46519490973334, - "L3": 1.52956478924443, - "a7": 124.140792213913, - "L1": 1.32180427061168, + "a1": 121.439357604604, + "L4": 1.51703876246243, + "L5": 1.227107065434, + "L2": 1.45847466485475, + "L3": 1.53121746525919, + "a7": 122.619772021557, + "L1": 1.33170483960177, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, - "omep": 2.49894006169526, + "omep": null, "ss": "H", - "a3": 108.426432086455, - "bs": 16.0, - "a2": 103.961241216699, - "a5": 118.982901419784, + "a3": 108.394415538768, + "bs": 75.0, + "a2": 111.267596133095, + "a5": 120.905861930034, "sidechain_LEU": null, - "chainIndex": 629, + "chainIndex": 829, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.782252790849 + "a4": 108.507375576215 } }, { "pk": 1562, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.915359615379, - "psi": -29.5897425114135, - "oldID": "416", - "bg": 68.01, + "a6": 116.604817975999, + "psi": -43.103148157889, + "oldID": "831", + "bg": 73.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1726133659513, + "zeta": 34.4821336488835, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 79, "sidechain_TRP": null, - "next": 1564, + "next": 1563, "sidechain_SER": null, - "bm": 59.0, + "bm": 71.0, "xpr": false, - "prev": 1560, + "prev": 1561, "terminal_flag": false, - "phi": -95.4123149400098, + "phi": -75.0070846363226, "chainID": "A", "sidechain_GLN": null, - "ome": 179.423453973083, - "chi2": -172.482018044907, - "chi3": 173.633776673985, - "chi1": 53.1675652022433, - "chi4": -178.138621673745, - "chi5": 0.0588219125178083, - "a1": 119.693413900408, - "L4": 1.52062791555441, - "L5": 1.23018834133362, - "L2": 1.45380377810758, - "L3": 1.52695814809846, - "a7": 123.208635920437, - "L1": 1.32540228100528, - "sidechain_ARG": 79, + "ome": -179.042223520623, + "chi2": null, + "chi3": null, + "chi1": -64.8442543599279, + "chi4": null, + "chi5": null, + "a1": 119.9782762563, + "L4": 1.51410329447034, + "L5": 1.22376230650241, + "L2": 1.44945485294598, + "L3": 1.53642285340042, + "a7": 122.907557793874, + "L1": 1.32464325527694, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.73690943372, + "ss": "H", + "a3": 110.612006732815, "bs": 71.0, - "a2": 110.303813531096, - "a5": 120.874754594295, + "a2": 111.308003309735, + "a5": 120.472634242922, "sidechain_LEU": null, - "chainIndex": 415, + "chainIndex": 830, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.396234688715 + "a4": 109.149389714367 } }, { "pk": 1563, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.763829356598, - "psi": -54.2125242620935, - "oldID": "631", - "bg": 13.9, + "a6": 116.763951232389, + "psi": -41.5474740963153, + "oldID": "832", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5769894591506, + "protein": "1TWF", + "zeta": 33.8747961901308, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 107, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1565, + "next": 1564, "sidechain_SER": null, - "bm": 15.0, + "bm": 73.0, "xpr": false, - "prev": 1561, + "prev": 1562, "terminal_flag": false, - "phi": -70.1467748364458, + "phi": -69.9871309418888, "chainID": "A", "sidechain_GLN": null, - "ome": -173.900601582719, + "ome": -179.375292232892, "chi2": null, "chi3": null, - "chi1": 177.20438901049, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.937924615865, - "L4": 1.53090427406606, - "L5": 1.24503500426519, - "L2": 1.45643744170086, - "L3": 1.56708832354814, - "a7": 122.744470655751, - "L1": 1.33384386620224, + "a1": 120.822834398744, + "L4": 1.53006264971852, + "L5": 1.2301993344867, + "L2": 1.45227818101975, + "L3": 1.5192398957333, + "a7": 123.19679005184, + "L1": 1.3252227557514, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 111.844826820712, - "bs": 14.0, - "a2": 112.271519795166, - "a5": 120.490923053321, + "a3": 114.128700671029, + "bs": 73.0, + "a2": 109.619925065422, + "a5": 120.039209344845, "sidechain_LEU": null, - "chainIndex": 630, + "chainIndex": 831, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.237993909276 + "a4": 110.254446848044 } }, { "pk": 1564, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.159102393718, - "psi": 86.5691573492921, - "oldID": "417", - "bg": 64.66, + "a6": 116.905093828567, + "psi": -45.4745034178029, + "oldID": "833", + "bg": 85.64, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.1687243374635, + "zeta": 34.4663890316593, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1566, + "next": 1565, "sidechain_SER": null, - "bm": 62.0, + "bm": 77.0, "xpr": false, - "prev": 1562, + "prev": 1563, "terminal_flag": false, - "phi": -123.982701156367, + "phi": -71.0105353465635, "chainID": "A", "sidechain_GLN": null, - "ome": 178.906861814112, - "chi2": -50.4303305075799, - "chi3": null, - "chi1": -46.0226355553968, + "ome": -179.453247191645, + "chi2": -171.547804010153, + "chi3": 56.527715278851, + "chi1": -83.2924858604914, "chi4": null, "chi5": null, - "a1": 122.432813592444, - "L4": 1.5233702802078, - "L5": 1.22960326496388, - "L2": 1.4580752817001, - "L3": 1.5339170574965, - "a7": 122.291957056783, - "L1": 1.32836216075357, + "a1": 123.150497716708, + "L4": 1.52630452486698, + "L5": 1.23113219242319, + "L2": 1.46783530774561, + "L3": 1.53299710043071, + "a7": 122.698345025133, + "L1": 1.33364163684156, "sidechain_ARG": null, - "sidechain_TYR": 50, - "sidechain_GLU": null, + "sidechain_TYR": null, + "sidechain_GLU": 115, "omep": null, - "ss": "S", - "a3": 107.446755249408, - "bs": 65.0, - "a2": 110.838830909802, - "a5": 119.545294079741, + "ss": "H", + "a3": 115.158339869869, + "bs": 86.0, + "a2": 110.641606755409, + "a5": 120.39126612082, "sidechain_LEU": null, - "chainIndex": 416, + "chainIndex": 832, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.778229816598 + "a4": 108.164370236444 } }, { @@ -158240,302 +146136,302 @@ "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.290194101124, - "psi": -23.8283384282178, - "oldID": "632", - "bg": 16.69, + "a6": 116.566932225032, + "psi": -38.3499812366561, + "oldID": "834", + "bg": 77.36, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1207584481463, + "protein": "1TWF", + "zeta": 34.2771614894306, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 79, + "sidechain_THR": 80, "sidechain_TRP": null, - "next": 1567, + "next": 1566, "sidechain_SER": null, - "bm": 15.0, + "bm": 75.0, "xpr": false, - "prev": 1563, + "prev": 1564, "terminal_flag": false, - "phi": -75.7301313665124, + "phi": -63.6031389026908, "chainID": "A", "sidechain_GLN": null, - "ome": -174.883854105991, + "ome": 179.650571474868, "chi2": null, "chi3": null, - "chi1": 57.3334874266018, + "chi1": -61.9359811646786, "chi4": null, "chi5": null, - "a1": 120.348559126625, - "L4": 1.50295631805918, - "L5": 1.22083330377791, - "L2": 1.46063894667852, - "L3": 1.56931463302174, - "a7": 123.972260617932, - "L1": 1.33350680471681, + "a1": 120.750455108739, + "L4": 1.51841744064974, + "L5": 1.23055980893353, + "L2": 1.45849073587225, + "L3": 1.54945166011654, + "a7": 122.807951811897, + "L1": 1.32818434093265, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 114.52101072208, - "bs": 15.0, - "a2": 112.425661742233, - "a5": 118.716562400842, + "a3": 111.459929028997, + "bs": 76.0, + "a2": 111.989835777255, + "a5": 120.624862390417, "sidechain_LEU": null, - "chainIndex": 631, + "chainIndex": 833, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.228481379082 + "a4": 108.544837248368 } }, { "pk": 1566, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.476843780584, - "psi": 122.319487401099, - "oldID": "418", - "bg": 49.7, + "a6": 116.594690527309, + "psi": -37.3850836952065, + "oldID": "835", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.3177798081957, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1568, - "sidechain_SER": 79, - "bm": 57.0, + "next": 1567, + "sidechain_SER": null, + "bm": 69.0, "xpr": false, - "prev": 1564, + "prev": 1565, "terminal_flag": false, - "phi": -166.07099489095, + "phi": -56.9039894088204, "chainID": "A", "sidechain_GLN": null, - "ome": -179.065485305158, + "ome": -179.824495170766, "chi2": null, "chi3": null, - "chi1": 177.457516207026, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.628073986375, - "L4": 1.51376459890908, - "L5": 1.22706135969024, - "L2": 1.46442685727104, - "L3": 1.53033590463619, - "a7": 123.130109756942, - "L1": 1.32869169344408, + "a1": 120.253107895382, + "L4": 1.51898462125862, + "L5": 1.2268799863604, + "L2": 1.45301421049499, + "L3": null, + "a7": 122.670652465002, + "L1": 1.3278981609652, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.637534063489, - "bs": 52.0, - "a2": 111.053878325834, - "a5": 120.390358343484, + "ss": "H", + "a3": 112.276269930689, + "bs": 0.0, + "a2": null, + "a5": 120.734134936756, "sidechain_LEU": null, - "chainIndex": 417, + "chainIndex": 834, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.47118734959 + "a4": null } }, { "pk": 1567, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.073022468731, - "psi": -10.9546833806572, - "oldID": "633", - "bg": 16.9, + "a6": 116.462445655377, + "psi": -42.6919851889859, + "oldID": "836", + "bg": 64.15, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0282218195403, + "protein": "1TWF", + "zeta": 34.6339629623129, "sidechain_PHE": null, - "sidechain_LYS": 107, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1569, + "next": 1568, "sidechain_SER": null, - "bm": 15.0, + "bm": 59.0, "xpr": false, - "prev": 1565, + "prev": 1566, "terminal_flag": false, - "phi": -89.1160540086695, + "phi": -73.4635694187604, "chainID": "A", "sidechain_GLN": null, - "ome": 177.67380359157, - "chi2": -175.020608115482, - "chi3": 173.844885698471, - "chi1": -70.9516529605902, - "chi4": -145.218734453839, + "ome": 178.859306430968, + "chi2": 68.3971476519291, + "chi3": null, + "chi1": 174.068717988622, + "chi4": null, "chi5": null, - "a1": 121.667382974904, - "L4": 1.52164463523393, - "L5": 1.22434140842101, - "L2": 1.46253146901158, - "L3": 1.53612703965931, - "a7": 123.55020153782, - "L1": 1.3340208372136, + "a1": 121.517141312286, + "L4": 1.53371846057103, + "L5": 1.23098126251616, + "L2": 1.4538172792841, + "L3": 1.53013247865142, + "a7": 122.975913146407, + "L1": 1.32781218913085, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 35, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 112.323101832164, - "bs": 19.0, - "a2": 111.514714614166, - "a5": 120.376423073424, + "a3": 110.837146717951, + "bs": 65.0, + "a2": 109.625020670545, + "a5": 120.561405413092, "sidechain_LEU": null, - "chainIndex": 632, + "chainIndex": 835, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.622645879669 + "a4": 110.354689319144 } }, { "pk": 1568, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.149670476902, - "psi": 8.6859048230544, - "oldID": "419", - "bg": 54.5, + "a6": 115.752453376669, + "psi": -42.6192630987547, + "oldID": "837", + "bg": 50.49, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 91, "protein": "1TWF", - "zeta": 34.874147698036, + "zeta": 35.1951139629734, "sidechain_PHE": null, - "sidechain_LYS": 108, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1570, + "next": 1569, "sidechain_SER": null, - "bm": 55.0, + "bm": 51.0, "xpr": false, - "prev": 1566, + "prev": 1567, "terminal_flag": false, - "phi": -62.0656476653562, + "phi": -59.2169272970996, "chainID": "A", "sidechain_GLN": null, - "ome": -179.392024412687, - "chi2": -173.79035961399, - "chi3": 79.9913673330389, - "chi1": 77.5711775386931, - "chi4": 76.6803381352358, + "ome": -179.058866092373, + "chi2": -176.046389058605, + "chi3": null, + "chi1": -69.6307321878646, + "chi4": null, "chi5": null, - "a1": 121.572701540033, - "L4": 1.52349210630567, - "L5": 1.22533550716155, - "L2": 1.45734002820077, - "L3": 1.52922352834665, - "a7": 122.590735316087, - "L1": 1.33005908579121, + "a1": 122.213869856225, + "L4": 1.52133494597172, + "L5": 1.22964855491663, + "L2": 1.45966107656914, + "L3": 1.55551679506118, + "a7": 123.282360647536, + "L1": 1.33172499556519, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.1140619574, - "bs": 53.0, - "a2": 110.147136983826, - "a5": 120.259580475263, + "ss": "H", + "a3": 110.208813673817, + "bs": 50.0, + "a2": 111.641767492839, + "a5": 120.962172394264, "sidechain_LEU": null, - "chainIndex": 418, + "chainIndex": 836, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.127258670651 + "a4": 108.011777466107 } }, { "pk": 1569, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.772214065027, - "psi": 129.384520025269, - "oldID": "634", - "bg": 16.34, + "a6": 116.755425578359, + "psi": -31.557753773823, + "oldID": "838", + "bg": 52.34, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3539592841415, + "protein": "1TWF", + "zeta": 34.8265634791661, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1571, + "next": 1570, "sidechain_SER": null, - "bm": 15.0, + "bm": 50.0, "xpr": false, - "prev": 1567, + "prev": 1568, "terminal_flag": false, - "phi": -56.8636303270644, + "phi": -59.1535402058652, "chainID": "A", - "sidechain_GLN": null, - "ome": -175.858830128687, - "chi2": 67.0614361001717, - "chi3": null, - "chi1": -176.799777665471, + "sidechain_GLN": 67, + "ome": -178.419783300442, + "chi2": -81.3741187285779, + "chi3": -22.6035117263265, + "chi1": -160.277978492339, "chi4": null, "chi5": null, - "a1": 121.412327663593, - "L4": 1.52456721175777, - "L5": 1.24728635220072, - "L2": 1.44749975328687, - "L3": 1.53275618098763, - "a7": 123.253062536501, - "L1": 1.32597667301324, + "a1": 122.039975022078, + "L4": 1.51740189181783, + "L5": 1.22905703241246, + "L2": 1.45141240924374, + "L3": 1.52939876987538, + "a7": 122.935059001592, + "L1": 1.32861433883225, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 108.19030307568, - "bs": 16.0, - "a2": 110.74963730963, - "a5": 120.969810515136, - "sidechain_LEU": 128, - "chainIndex": 633, + "ss": "H", + "a3": 111.419732125232, + "bs": 53.0, + "a2": 109.893012307501, + "a5": 120.303360238995, + "sidechain_LEU": null, + "chainIndex": 837, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.534168567218 + "a4": 109.735522538434 } }, { @@ -158547,136 +146443,136 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.462954119455, - "psi": 19.3533372621599, - "oldID": "420", - "bg": 56.23, + "a6": 115.959825231857, + "psi": -23.020632972106, + "oldID": "839", + "bg": 69.52, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.4220878269459, + "zeta": 34.0688002539559, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1572, + "next": 1571, "sidechain_SER": null, - "bm": 57.0, + "bm": 53.0, "xpr": false, - "prev": 1568, + "prev": 1569, "terminal_flag": false, - "phi": -140.979750932464, + "phi": -85.4074532974231, "chainID": "A", "sidechain_GLN": null, - "ome": 179.834711163942, - "chi2": -167.453318692183, - "chi3": 59.7255427851216, - "chi1": -63.9030884598741, - "chi4": -173.77297569608, - "chi5": -0.053213218241586, - "a1": 120.784520923778, - "L4": 1.51070853346455, - "L5": 1.22276965116641, - "L2": 1.4496752837326, - "L3": 1.5261307438575, - "a7": 122.902532450346, - "L1": 1.32717651957337, - "sidechain_ARG": 80, + "ome": 179.210167948942, + "chi2": -142.699947123445, + "chi3": -169.811442182787, + "chi1": -59.927745774266, + "chi4": -168.29169870349, + "chi5": 0.378233346171519, + "a1": 120.77451532737, + "L4": 1.51611288185084, + "L5": 1.23091505264502, + "L2": 1.45519478672468, + "L3": 1.52940343054296, + "a7": 122.956295071973, + "L1": 1.32786636880296, + "sidechain_ARG": 81, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.757947018013, - "bs": 57.0, - "a2": 110.347761341348, - "a5": 120.634313960171, + "ss": "H", + "a3": 112.852786368072, + "bs": 78.0, + "a2": 110.367578870703, + "a5": 121.083475383048, "sidechain_LEU": null, - "chainIndex": 419, + "chainIndex": 838, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.432316839524 + "a4": 109.837221578852 } }, { "pk": 1571, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.038334771889, - "psi": 70.2453550294765, - "oldID": "635", - "bg": 18.88, + "a6": 117.12246497034, + "psi": -37.3718460067717, + "oldID": "840", + "bg": 61.41, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7129800736037, + "protein": "1TWF", + "zeta": 34.2782908220487, "sidechain_PHE": null, - "sidechain_LYS": 109, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1574, + "next": 1572, "sidechain_SER": null, - "bm": 14.0, + "bm": 47.0, "xpr": false, - "prev": 1569, + "prev": 1570, "terminal_flag": false, - "phi": -83.6862553727211, + "phi": -80.7211237929967, "chainID": "A", "sidechain_GLN": null, - "ome": 176.773845306157, - "chi2": 76.1812325973858, - "chi3": 179.350007186671, - "chi1": -164.320087658888, - "chi4": -164.079857703786, - "chi5": null, - "a1": 120.773535264246, - "L4": 1.51965740123132, - "L5": 1.227478632314, - "L2": 1.46029675394008, - "L3": 1.52219707127741, - "a7": 122.665671826453, - "L1": 1.32348505419777, - "sidechain_ARG": null, + "ome": 178.746005563379, + "chi2": -65.3762327614337, + "chi3": 122.115383006573, + "chi1": -62.2284047467365, + "chi4": -178.140823065026, + "chi5": -0.0958097790912157, + "a1": 120.567896158173, + "L4": 1.52626847072172, + "L5": 1.22326417883739, + "L2": 1.43790639659256, + "L3": 1.52835283620436, + "a7": 122.192213933834, + "L1": 1.32121928805193, + "sidechain_ARG": 82, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 113.680599563777, - "bs": 20.0, - "a2": 110.284339017161, - "a5": 121.260590399007, + "ss": "H", + "a3": 106.888152096332, + "bs": 71.0, + "a2": 109.438339015143, + "a5": 120.660375355582, "sidechain_LEU": null, - "chainIndex": 634, + "chainIndex": 839, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.99223558732 + "a4": 112.340752468309 } }, { "pk": 1572, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.575170431585, - "psi": -44.9630756856499, - "oldID": "421", - "bg": 0.0, + "a6": 116.371157859495, + "psi": -45.7930926532254, + "oldID": "841", + "bg": 37.38, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5212324802438, + "zeta": 34.6434920200486, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, @@ -158685,1752 +146581,1386 @@ "sidechain_TRP": null, "next": 1573, "sidechain_SER": null, - "bm": 61.0, + "bm": 38.0, "xpr": false, - "prev": 1570, + "prev": 1571, "terminal_flag": false, - "phi": -48.7137292291913, + "phi": -61.9128432922452, "chainID": "A", "sidechain_GLN": null, - "ome": -178.908989699803, - "chi2": null, + "ome": -179.289928173609, + "chi2": 179.993558807491, "chi3": null, - "chi1": null, + "chi1": -75.8158307435427, "chi4": null, "chi5": null, - "a1": 120.989050198006, - "L4": 1.52900703246112, - "L5": 1.23208995550367, - "L2": 1.44867611880615, - "L3": 1.51774437313557, - "a7": 122.949202159266, - "L1": 1.32298357037991, + "a1": 120.288308521405, + "L4": 1.53413356387603, + "L5": 1.23708429903322, + "L2": 1.45238168120985, + "L3": 1.52382328058335, + "a7": 123.135561412472, + "L1": 1.32660564454899, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 111.287211082126, - "bs": 62.0, - "a2": 109.736878001085, - "a5": 120.472791685977, - "sidechain_LEU": null, - "chainIndex": 420, + "ss": "H", + "a3": 111.533648325049, + "bs": 35.0, + "a2": 110.604795883847, + "a5": 120.493188286938, + "sidechain_LEU": 133, + "chainIndex": 840, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.179990273527 + "a4": 109.069904552577 } }, { "pk": 1573, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.137721323204, - "psi": 32.9625143774909, - "oldID": "422", - "bg": 0.0, + "a6": 114.999943171587, + "psi": -58.7957399198743, + "oldID": "842", + "bg": 26.59, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.5710375558704, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 119, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1575, + "next": 1574, "sidechain_SER": null, - "bm": 63.0, + "bm": 36.0, "xpr": false, "prev": 1572, "terminal_flag": false, - "phi": -99.8014150407856, + "phi": -61.611730929124, "chainID": "A", "sidechain_GLN": null, - "ome": -178.836237627276, + "ome": 179.429708215752, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 169.847327958971, "chi4": null, "chi5": null, - "a1": 120.966378958242, - "L4": 1.51197390616129, - "L5": 1.23117861082796, - "L2": 1.45745606995699, - "L3": null, - "a7": 123.376064454435, - "L1": 1.33248796030896, + "a1": 122.340206135037, + "L4": 1.5112417579094, + "L5": 1.22536872249351, + "L2": 1.46075742456495, + "L3": 1.56954096010305, + "a7": 123.53818403935, + "L1": 1.33071173193627, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.927834925782, - "bs": 0.0, - "a2": null, - "a5": 121.473158216533, + "ss": "H", + "a3": 109.244724897239, + "bs": 27.0, + "a2": 111.620833500046, + "a5": 121.461151595907, "sidechain_LEU": null, - "chainIndex": 421, + "chainIndex": 841, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 107.978488131453 } }, { "pk": 1574, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.821085325405, - "psi": -19.7640026343435, - "oldID": "636", - "bg": 15.06, + "a6": 118.281377422289, + "psi": -42.523891549275, + "oldID": "843", + "bg": 55.18, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9468209767174, + "protein": "1TWF", + "zeta": 34.5003678440321, "sidechain_PHE": null, - "sidechain_LYS": null, + "sidechain_LYS": 96, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 80, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 1576, + "next": 1575, "sidechain_SER": null, - "bm": 15.0, + "bm": 41.0, "xpr": false, - "prev": 1571, + "prev": 1573, "terminal_flag": false, - "phi": -67.3771381158686, + "phi": -45.4441972660649, "chainID": "A", "sidechain_GLN": null, - "ome": 176.008448555102, - "chi2": null, - "chi3": null, - "chi1": 53.6089996807201, - "chi4": null, + "ome": -178.720976901291, + "chi2": 178.742468512238, + "chi3": 156.31599982556, + "chi1": -177.516852286187, + "chi4": -175.446240009515, "chi5": null, - "a1": 121.196744664632, - "L4": 1.53270779601267, - "L5": 1.22061694939687, - "L2": 1.4466474330482, - "L3": 1.5275227265096, - "a7": 122.314108523018, - "L1": 1.32364348194404, + "a1": 122.381345335328, + "L4": 1.54018479345911, + "L5": 1.22575653275571, + "L2": 1.44986502562525, + "L3": 1.53160771790527, + "a7": 121.863609066489, + "L1": 1.3233820183545, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 113.431425101425, - "bs": 14.0, - "a2": 109.666621773073, - "a5": 119.838033005498, + "ss": "H", + "a3": 113.484349101308, + "bs": 57.0, + "a2": 108.12653964076, + "a5": 119.843752689874, "sidechain_LEU": null, - "chainIndex": 635, + "chainIndex": 842, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.459272939268 + "a4": 111.230042708581 } }, { "pk": 1575, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 94, - "a6": 116.880621899126, - "psi": 56.4546400686395, - "oldID": "423", - "bg": 72.53, + "sidechain_ASP": null, + "a6": 116.463022455022, + "psi": -30.4245339299031, + "oldID": "844", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.7645929627836, + "zeta": 34.1098711161541, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1577, + "next": 1576, "sidechain_SER": null, - "bm": 67.0, + "bm": 36.0, "xpr": false, - "prev": 1573, + "prev": 1574, "terminal_flag": false, - "phi": -150.530730539339, + "phi": -74.8803911160359, "chainID": "A", "sidechain_GLN": null, - "ome": -179.262373812138, - "chi2": 68.2045072498136, + "ome": -177.010609296362, + "chi2": null, "chi3": null, - "chi1": 175.523343101171, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.033522257558, - "L4": 1.53001080869026, - "L5": 1.23395625402388, - "L2": 1.4487556854375, - "L3": 1.52984108035597, - "a7": 122.330352355146, - "L1": 1.32438027104191, + "a1": 120.681319482214, + "L4": 1.52465831695603, + "L5": 1.23513274606667, + "L2": 1.46125487405579, + "L3": 1.51715605231299, + "a7": 122.606687232725, + "L1": 1.32931516012264, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.174340108343, - "bs": 72.0, - "a2": 108.481416710909, - "a5": 120.788636061616, + "ss": "H", + "a3": 115.713317741098, + "bs": 33.0, + "a2": 109.808298676669, + "a5": 120.927505261195, "sidechain_LEU": null, - "chainIndex": 422, + "chainIndex": 843, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.103682094609 + "a4": 109.161203243518 } }, { "pk": 1576, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 95, - "a6": 116.780630439654, - "psi": -26.4686711462517, - "oldID": "637", - "bg": 22.27, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.508376806409, + "psi": 5.16033231279005, + "oldID": "845", + "bg": 37.64, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8742248041611, + "protein": "1TWF", + "zeta": 35.0517133914014, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1578, + "next": 1577, "sidechain_SER": null, - "bm": 16.0, + "bm": 36.0, "xpr": false, - "prev": 1574, + "prev": 1575, "terminal_flag": false, - "phi": -59.3291688382638, + "phi": -109.09414901546, "chainID": "A", "sidechain_GLN": null, - "ome": 175.790024443656, - "chi2": -5.03392430672109, + "ome": -176.580090991087, + "chi2": 175.700014315264, "chi3": null, - "chi1": -85.6872303606891, + "chi1": -45.044996726084, "chi4": null, "chi5": null, - "a1": 119.821487929398, - "L4": 1.5304328980814, - "L5": 1.23428567030687, - "L2": 1.44526084500744, - "L3": 1.51720097379768, - "a7": 122.653839084806, - "L1": 1.33956301663145, + "a1": 120.483602185073, + "L4": 1.52148714666128, + "L5": 1.22747443552958, + "L2": 1.45104033199581, + "L3": 1.53275415622605, + "a7": 123.103161084, + "L1": 1.32579353431637, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 110.710448434658, - "bs": 22.0, - "a2": 111.411420924855, - "a5": 120.563766475436, - "sidechain_LEU": null, - "chainIndex": 636, + "ss": "H", + "a3": 113.576730345567, + "bs": 37.0, + "a2": 108.954915275105, + "a5": 120.372849409563, + "sidechain_LEU": 134, + "chainIndex": 844, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.590341000335 + "a4": 109.729468826338 } }, { "pk": 1577, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.312958845287, - "psi": 140.788074937575, - "oldID": "424", - "bg": 65.49, + "a6": 118.045424235936, + "psi": -28.5383030886189, + "oldID": "846", + "bg": 54.86, "sidechain_CYS": null, - "sidechain_ILE": 87, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7130080235814, + "zeta": 33.8936290567825, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1579, + "next": 1578, "sidechain_SER": null, - "bm": 67.0, + "bm": 41.0, "xpr": false, - "prev": 1575, + "prev": 1576, "terminal_flag": false, - "phi": -121.364608122852, + "phi": -56.6552104145573, "chainID": "A", "sidechain_GLN": null, - "ome": 179.4968194277, - "chi2": 179.583250683126, - "chi3": null, - "chi1": -60.5251928945767, + "ome": -177.964733814059, + "chi2": 177.63144257665, + "chi3": 63.2993922021784, + "chi1": -172.612816626328, "chi4": null, "chi5": null, - "a1": 120.802522953327, - "L4": 1.51990437695896, - "L5": 1.22772895985442, - "L2": 1.45952999636506, - "L3": 1.53842521121811, - "a7": 122.873630731975, - "L1": 1.33026012054612, + "a1": 122.760050239508, + "L4": 1.53545404339761, + "L5": 1.22703012702314, + "L2": 1.45969249062324, + "L3": 1.53021097373831, + "a7": 122.0016350568, + "L1": 1.32688523432274, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 116, "omep": null, - "ss": "-", - "a3": 113.126684869545, - "bs": 65.0, - "a2": 110.981002419919, - "a5": 120.813162207148, + "ss": "T", + "a3": 120.01094783187, + "bs": 55.0, + "a2": 108.752911232135, + "a5": 119.952127829227, "sidechain_LEU": null, - "chainIndex": 423, + "chainIndex": 845, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.298092756574 + "a4": 108.968252758594 } }, { "pk": 1578, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.482295873154, - "psi": -18.6059552619036, - "oldID": "638", - "bg": 16.25, + "chain": "1TWFA", + "sidechain_ASP": 100, + "a6": 117.640621973418, + "psi": 10.7520028336242, + "oldID": "847", + "bg": 35.78, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.328882653296, + "protein": "1TWF", + "zeta": 36.4238324419364, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1580, + "next": 1579, "sidechain_SER": null, - "bm": 14.0, + "bm": 35.0, "xpr": false, - "prev": 1576, + "prev": 1577, "terminal_flag": false, - "phi": -65.4179608722404, + "phi": -101.815323110896, "chainID": "A", "sidechain_GLN": null, - "ome": -173.497444164628, - "chi2": -10.240964415526, + "ome": -179.168957604912, + "chi2": -28.577466584484, "chi3": null, - "chi1": -81.0136093283488, + "chi1": 67.4795659936195, "chi4": null, "chi5": null, - "a1": 121.274181635138, - "L4": 1.53504437381857, - "L5": 1.22412577408018, - "L2": 1.46221107702771, - "L3": 1.53639459913272, - "a7": 121.755472122526, - "L1": 1.33098996846848, + "a1": 121.536525481126, + "L4": 1.52013751779405, + "L5": 1.22461863917373, + "L2": 1.46055567707046, + "L3": 1.51866258933763, + "a7": 122.15845509712, + "L1": 1.32571407866158, "sidechain_ARG": null, - "sidechain_TYR": 51, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 111.787429563111, - "bs": 15.0, - "a2": 110.659974333882, - "a5": 120.736773991238, + "ss": "T", + "a3": 113.965826952445, + "bs": 36.0, + "a2": 109.363738913337, + "a5": 120.175092053868, "sidechain_LEU": null, - "chainIndex": 637, + "chainIndex": 846, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.603720972119 + "a4": 107.115187645935 } }, { "pk": 1579, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.361204152335, - "psi": 96.9949649350842, - "oldID": "425", - "bg": 74.45, + "a6": 115.712075129502, + "psi": 123.564948302316, + "oldID": "848", + "bg": 26.19, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 92, "protein": "1TWF", - "zeta": 34.7915485269083, + "zeta": 33.2777315998808, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1581, + "next": 1580, "sidechain_SER": null, - "bm": 66.0, + "bm": 28.0, "xpr": false, - "prev": 1577, + "prev": 1578, "terminal_flag": false, - "phi": -114.439217078359, + "phi": -88.155999790256, "chainID": "A", - "sidechain_GLN": 57, - "ome": -179.021663730452, - "chi2": 174.377628099356, - "chi3": 59.3521961047099, - "chi1": -60.7488677655498, + "sidechain_GLN": null, + "ome": -177.369385583346, + "chi2": 166.799069580568, + "chi3": null, + "chi1": -56.7361993046583, "chi4": null, "chi5": null, - "a1": 121.226261892441, - "L4": 1.51824193127815, - "L5": 1.22571059257765, - "L2": 1.45521936656727, - "L3": 1.52523549109125, - "a7": 122.726991038575, - "L1": 1.32761300788758, + "a1": 119.28236592285, + "L4": 1.50161869232951, + "L5": 1.21892336302063, + "L2": 1.43995327458438, + "L3": 1.50076311366735, + "a7": 123.878299797153, + "L1": 1.32023814620949, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.425292142663, - "bs": 76.0, - "a2": 109.959956219832, - "a5": 120.911802843972, + "a3": 109.339989187067, + "bs": 27.0, + "a2": 110.259633948779, + "a5": 120.394657499846, "sidechain_LEU": null, - "chainIndex": 424, + "chainIndex": 847, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.216405992059 + "a4": 112.057422020613 } }, { "pk": 1580, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "m", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.840703740336, - "psi": -11.4630150991324, - "oldID": "639", - "bg": 14.3, + "a6": 116.881776359354, + "psi": 152.228889584002, + "oldID": "849", + "bg": 31.62, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.2978227666818, + "protein": "1TWF", + "zeta": 36.0252932863501, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 41, "sidechain_THR": null, - "sidechain_TRP": 25, - "next": 1582, + "sidechain_TRP": null, + "next": 1581, "sidechain_SER": null, - "bm": 15.0, + "bm": 26.0, "xpr": false, - "prev": 1578, + "prev": 1579, "terminal_flag": false, - "phi": -95.5701524956046, + "phi": -134.848947988025, "chainID": "A", "sidechain_GLN": null, - "ome": -171.388358398525, - "chi2": -8.99616304776697, - "chi3": null, - "chi1": -50.4443057757416, + "ome": 177.271846665716, + "chi2": -172.184154538181, + "chi3": -96.4992046773217, + "chi1": 160.510704701297, "chi4": null, "chi5": null, - "a1": 119.81147492618, - "L4": 1.51666257525863, - "L5": 1.24833416783212, - "L2": 1.45708857306523, - "L3": 1.51634136369342, - "a7": 123.621682155867, - "L1": 1.32725397086901, + "a1": 122.452945737457, + "L4": 1.53394329518414, + "L5": 1.23728295321869, + "L2": 1.45296760610246, + "L3": 1.51804422139824, + "a7": 122.028216945839, + "L1": 1.33120321030419, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 115.298083507106, - "bs": 14.0, - "a2": 109.937735061202, - "a5": 119.536284220106, + "ss": "E", + "a3": 114.74244712965, + "bs": 32.0, + "a2": 107.730352072718, + "a5": 121.087294795859, "sidechain_LEU": null, - "chainIndex": 638, + "chainIndex": 848, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 104.994860001508 + "a4": 109.059802255305 } }, { "pk": 1581, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.020169678921, - "psi": 138.380598828581, - "oldID": "426", - "bg": 62.29, + "a6": 117.447330503638, + "psi": 122.432555671071, + "oldID": "850", + "bg": 18.73, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.6228467896784, + "zeta": 34.838532345228, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 120, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1583, + "next": 1582, "sidechain_SER": null, - "bm": 63.0, + "bm": 24.0, "xpr": false, - "prev": 1579, + "prev": 1580, "terminal_flag": false, - "phi": -56.6159828067368, + "phi": -84.0487044261167, "chainID": "A", "sidechain_GLN": null, - "ome": 178.94397180159, - "chi2": 170.327435053678, + "ome": 179.643092254807, + "chi2": null, "chi3": null, - "chi1": -55.6669153855131, + "chi1": 168.468952357008, "chi4": null, "chi5": null, - "a1": 121.048271985635, - "L4": 1.51754662842033, - "L5": 1.23017575152825, - "L2": 1.45443623690618, - "L3": 1.5285431535246, - "a7": 123.210918460724, - "L1": 1.32666737990963, + "a1": 119.980877631058, + "L4": 1.53405381125523, + "L5": 1.22609636508777, + "L2": 1.46355046465843, + "L3": 1.54067553642079, + "a7": 122.23246384205, + "L1": 1.3284072596913, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.230168929185, - "bs": 61.0, - "a2": 109.947239935507, - "a5": 120.768805394564, - "sidechain_LEU": 129, - "chainIndex": 425, + "ss": "E", + "a3": 107.030747873808, + "bs": 21.0, + "a2": 112.720492798919, + "a5": 120.319292077668, + "sidechain_LEU": null, + "chainIndex": 849, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.688602894671 + "a4": 108.006216755088 } }, { "pk": 1582, "model": "pgd_core.residue", "fields": { - "aa": "v", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.42173519633, - "psi": 156.595273195433, - "oldID": "640", - "bg": 16.93, + "a6": 117.444920507575, + "psi": 176.333430231821, + "oldID": "851", + "bg": 30.73, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0044528455151, + "protein": "1TWF", + "zeta": 34.6819299604274, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 108, + "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1584, + "next": 1583, "sidechain_SER": null, - "bm": 16.0, + "bm": 25.0, "xpr": false, - "prev": 1580, + "prev": 1581, "terminal_flag": false, - "phi": -124.756039638251, + "phi": -92.6448514271009, "chainID": "A", "sidechain_GLN": null, - "ome": 176.181441008288, + "ome": -179.45309146628, "chi2": null, "chi3": null, - "chi1": -61.410351125352, + "chi1": -72.9529496573025, "chi4": null, "chi5": null, - "a1": 120.890410871545, - "L4": 1.53077702349692, - "L5": 1.22063804264359, - "L2": 1.4609997706358, - "L3": 1.54162953322953, - "a7": 123.231316285845, - "L1": 1.33367347682506, + "a1": 121.563354739827, + "L4": 1.52368205939986, + "L5": 1.22209577184894, + "L2": 1.47188611873724, + "L3": 1.51947774998704, + "a7": 122.265208708919, + "L1": 1.33010022329318, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 116.271262141251, - "bs": 15.0, - "a2": 110.549120949982, - "a5": 120.340860652338, + "ss": "-", + "a3": 113.246925687284, + "bs": 31.0, + "a2": 110.321521671578, + "a5": 120.243560163848, "sidechain_LEU": null, - "chainIndex": 639, - "sidechain_HIS": null, + "chainIndex": 850, + "sidechain_HIS": 54, "h_bond_energy": 0.0, - "a4": 107.288562203182 + "a4": 108.666199619747 } }, { "pk": 1583, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.429012816084, - "psi": 145.047901293986, - "oldID": "427", - "bg": 69.66, + "a6": 118.038857926806, + "psi": -17.9975220892192, + "oldID": "852", + "bg": 32.01, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.5771486664624, + "zeta": 31.6375610323342, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1585, + "next": 1584, "sidechain_SER": null, - "bm": 64.0, + "bm": 29.0, "xpr": false, - "prev": 1581, + "prev": 1582, "terminal_flag": false, - "phi": -116.783738989493, + "phi": -62.8662576559003, "chainID": "A", - "sidechain_GLN": 58, - "ome": 179.487892790306, - "chi2": -96.5044478531522, - "chi3": 45.5250887272266, - "chi1": -70.2406777219026, + "sidechain_GLN": null, + "ome": 178.254695734488, + "chi2": -85.0010185356633, + "chi3": null, + "chi1": -75.7930086800659, "chi4": null, "chi5": null, - "a1": 121.584998768979, - "L4": 1.52300608279005, - "L5": 1.23337129389853, - "L2": 1.46103980234863, - "L3": 1.53635232002704, - "a7": 122.742911407934, - "L1": 1.33030502364737, + "a1": 118.163429602621, + "L4": 1.50481173520285, + "L5": 1.21915756336815, + "L2": 1.44714542075161, + "L3": 1.50960499416368, + "a7": 123.411064668024, + "L1": 1.32792007780829, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 36, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.090543193294, - "bs": 70.0, - "a2": 110.798404805864, - "a5": 120.823333658908, + "ss": "T", + "a3": 118.51521000509, + "bs": 30.0, + "a2": 111.238455612661, + "a5": 118.545549593562, "sidechain_LEU": null, - "chainIndex": 426, + "chainIndex": 851, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.851881093995 + "a4": 109.698907646281 } }, { "pk": 1584, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "d", "sidechain_PRO": null, - "sidechain_ASN": 67, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.12569652924, - "psi": -170.474426163843, - "oldID": "641", - "bg": 19.69, + "sidechain_ASN": null, + "chain": "1TWFA", + "sidechain_ASP": 101, + "a6": 116.961429041637, + "psi": 13.8292347043681, + "oldID": "853", + "bg": 33.47, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8630714446674, + "protein": "1TWF", + "zeta": 34.1180247810355, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1586, + "next": 1585, "sidechain_SER": null, - "bm": 19.0, + "bm": 32.0, "xpr": false, - "prev": 1582, + "prev": 1583, "terminal_flag": false, - "phi": -77.7468519725549, + "phi": -89.8556411491988, "chainID": "A", "sidechain_GLN": null, - "ome": -177.318883596815, - "chi2": 28.6347450545673, + "ome": -178.902463542673, + "chi2": 23.0194336122716, "chi3": null, - "chi1": 56.4723393432553, + "chi1": 52.5229471344744, "chi4": null, "chi5": null, - "a1": 121.326059871206, - "L4": 1.52947666893139, - "L5": 1.23068655460003, - "L2": 1.46803017015471, - "L3": 1.53284302159213, - "a7": 121.624733101448, - "L1": 1.33457640956126, + "a1": 121.137488621167, + "L4": 1.5251166193695, + "L5": 1.22739050948996, + "L2": 1.4636766768941, + "L3": 1.53684406567513, + "a7": 122.973013572056, + "L1": 1.33168546822432, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 110.442848948598, - "bs": 19.0, - "a2": 112.577927343742, - "a5": 121.246942546885, + "ss": "T", + "a3": 112.131518722155, + "bs": 32.0, + "a2": 111.443333637276, + "a5": 120.065174908906, "sidechain_LEU": null, - "chainIndex": 640, + "chainIndex": 852, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.391528096066 + "a4": 108.897314585372 } }, { "pk": 1585, "model": "pgd_core.residue", "fields": { - "aa": "y", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 62, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.810841628399, - "psi": 135.516383190809, - "oldID": "428", - "bg": 66.52, + "a6": 115.766419074173, + "psi": 7.65046586960519, + "oldID": "854", + "bg": 44.39, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9036045920229, + "zeta": 33.4362017074885, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1587, + "next": 1586, "sidechain_SER": null, - "bm": 61.0, + "bm": 34.0, "xpr": false, - "prev": 1583, + "prev": 1584, "terminal_flag": false, - "phi": -52.8559151045676, + "phi": 70.974671557957, "chainID": "A", "sidechain_GLN": null, - "ome": -179.980511682015, - "chi2": -20.0261384026605, + "ome": -179.909404370101, + "chi2": -81.2963958153043, "chi3": null, - "chi1": -70.0952419924758, + "chi1": -79.1470148947132, "chi4": null, "chi5": null, - "a1": 121.003708184901, - "L4": 1.52181410770752, - "L5": 1.22956274783067, - "L2": 1.45651461117456, - "L3": 1.53336929870355, - "a7": 122.710197952995, - "L1": 1.32796052589831, + "a1": 123.07733048566, + "L4": 1.52176986743265, + "L5": 1.22662093135852, + "L2": 1.47163054573497, + "L3": 1.53204675004601, + "a7": 123.188621609724, + "L1": 1.33305468743213, "sidechain_ARG": null, - "sidechain_TYR": 52, + "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 108.33746426602, - "bs": 68.0, - "a2": 110.223553487718, - "a5": 120.468976573886, + "ss": "S", + "a3": 112.102133928891, + "bs": 42.0, + "a2": 111.182998756102, + "a5": 121.040837457086, "sidechain_LEU": null, - "chainIndex": 427, + "chainIndex": 853, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.156231174822 + "a4": 110.034309684226 } }, { "pk": 1586, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 96, - "a6": 115.088350655467, - "psi": -16.9718956652612, - "oldID": "642", - "bg": 34.26, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 116.083297463714, + "psi": 147.368227208967, + "oldID": "855", + "bg": 39.66, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6484138452594, + "protein": "1TWF", + "zeta": 35.2171562442948, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 81, "sidechain_TRP": null, - "next": 1588, + "next": 1587, "sidechain_SER": null, - "bm": 24.0, + "bm": 33.0, "xpr": false, - "prev": 1584, + "prev": 1585, "terminal_flag": false, - "phi": -71.5801623817441, + "phi": -87.7453073540656, "chainID": "A", "sidechain_GLN": null, - "ome": 176.4826992712, - "chi2": -28.299253080365, + "ome": 179.219520719099, + "chi2": null, "chi3": null, - "chi1": -71.7267597503303, + "chi1": -134.334564250985, "chi4": null, "chi5": null, - "a1": 119.090424369258, - "L4": 1.52305274606054, - "L5": 1.23211826775264, - "L2": 1.46033019818154, - "L3": 1.51706628296346, - "a7": 124.922828734777, - "L1": 1.3201955743082, + "a1": 122.426916693047, + "L4": 1.53747616373095, + "L5": 1.23276216556505, + "L2": 1.45322106487621, + "L3": 1.5685043547974, + "a7": 122.390470922517, + "L1": 1.32493404160682, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.996561379439, - "bs": 34.0, - "a2": 110.235984956451, - "a5": 119.930129304611, + "ss": "-", + "a3": 110.974866763418, + "bs": 35.0, + "a2": 109.583912075154, + "a5": 121.515176636168, "sidechain_LEU": null, - "chainIndex": 641, + "chainIndex": 854, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.633873834074 + "a4": 109.95946108847 } }, { "pk": 1587, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.616488375664, - "psi": -14.9930965722356, - "oldID": "429", - "bg": 0.0, + "a6": 116.93971896418, + "psi": 119.937760460857, + "oldID": "856", + "bg": 43.27, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 35.1375040871294, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 82, "sidechain_TRP": null, - "next": 1589, + "next": 1588, "sidechain_SER": null, - "bm": 56.0, + "bm": 33.0, "xpr": false, - "prev": 1585, + "prev": 1586, "terminal_flag": false, - "phi": 95.1833720727849, + "phi": -105.376638884511, "chainID": "A", "sidechain_GLN": null, - "ome": 178.838202173347, + "ome": -179.384738562399, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -54.8936969311562, "chi4": null, "chi5": null, - "a1": 119.686000459864, - "L4": 1.51731708474451, - "L5": 1.22220065840643, - "L2": 1.44874952958658, - "L3": null, - "a7": 122.0505247023, - "L1": 1.32888402383763, + "a1": 120.508491732465, + "L4": 1.51912213934876, + "L5": 1.23301074534174, + "L2": 1.45284675300363, + "L3": 1.54417729817759, + "a7": 122.747408578286, + "L1": 1.32026149679834, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 112.972945326904, - "bs": 0.0, - "a2": null, - "a5": 120.326220828516, + "ss": "E", + "a3": 105.543930262271, + "bs": 40.0, + "a2": 110.722513489741, + "a5": 120.291150408878, "sidechain_LEU": null, - "chainIndex": 428, + "chainIndex": 855, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.200547082421 } }, { "pk": 1588, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "r", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.77206074781, - "psi": 5.21406158185333, - "oldID": "643", - "bg": 27.4, + "a6": 115.688149527579, + "psi": 159.027904337975, + "oldID": "857", + "bg": 37.72, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2374494926516, + "protein": "1TWF", + "zeta": 35.1280921627896, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1590, + "next": 1589, "sidechain_SER": null, - "bm": 24.0, + "bm": 33.0, "xpr": false, - "prev": 1586, + "prev": 1587, "terminal_flag": false, - "phi": -90.0954921498537, + "phi": -138.231492660275, "chainID": "A", "sidechain_GLN": null, - "ome": 178.793050549638, - "chi2": null, - "chi3": null, - "chi1": -55.767899215782, - "chi4": null, - "chi5": null, - "a1": 124.792808223164, - "L4": 1.53478269523051, - "L5": 1.23642605451934, - "L2": 1.46309935732362, - "L3": 1.51538537004635, - "a7": 122.909967929735, - "L1": 1.33522661430069, - "sidechain_ARG": null, + "ome": 178.877867660548, + "chi2": -170.001420731059, + "chi3": -140.053517158592, + "chi1": -66.9346943543924, + "chi4": -160.797374933285, + "chi5": 0.0731017383638183, + "a1": 121.385375848729, + "L4": 1.52129196021619, + "L5": 1.23060062758182, + "L2": 1.46182236592606, + "L3": 1.52357086324239, + "a7": 123.628150060584, + "L1": 1.32871759939557, + "sidechain_ARG": 83, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 114.941173793333, - "bs": 27.0, - "a2": 109.288911456651, - "a5": 120.313634051415, + "ss": "E", + "a3": 115.043282072058, + "bs": 37.0, + "a2": 109.791825567983, + "a5": 120.6835875839, "sidechain_LEU": null, - "chainIndex": 642, - "sidechain_HIS": 48, + "chainIndex": 856, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.705696041108 + "a4": 108.156309108864 } }, { "pk": 1589, "model": "pgd_core.residue", "fields": { - "aa": "w", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 63, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.114772235184, - "psi": 166.969326172185, - "oldID": "430", - "bg": 54.55, + "a6": 117.272945927805, + "psi": 173.014899164337, + "oldID": "858", + "bg": 30.15, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9479531806891, + "zeta": 33.3230603560431, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 26, - "next": 1591, + "sidechain_TRP": null, + "next": 1590, "sidechain_SER": null, - "bm": 53.0, + "bm": 35.0, "xpr": false, - "prev": 1587, + "prev": 1588, "terminal_flag": false, - "phi": -76.7687739785704, + "phi": -94.714353721449, "chainID": "A", "sidechain_GLN": null, - "ome": 179.788515856747, - "chi2": 15.8261133950517, + "ome": -177.645748996212, + "chi2": -166.636672270021, "chi3": null, - "chi1": -80.0076994405409, + "chi1": 64.0211519656762, "chi4": null, "chi5": null, - "a1": 120.227434986271, - "L4": 1.51611475293332, - "L5": 1.2321991259931, - "L2": 1.45577926066377, - "L3": 1.52187432755837, - "a7": 123.155257097196, - "L1": 1.32757904438606, + "a1": 123.244824437714, + "L4": 1.52113737943872, + "L5": 1.22515405380988, + "L2": 1.47375582453399, + "L3": 1.55172750410958, + "a7": 122.861539442887, + "L1": 1.33711337176341, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 109.254795585087, - "bs": 55.0, - "a2": 110.840924914768, - "a5": 120.72978570998, + "a3": 109.925525531612, + "bs": 30.0, + "a2": 111.639565626288, + "a5": 119.865087300764, "sidechain_LEU": null, - "chainIndex": 429, + "chainIndex": 857, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.103575228827 + "a4": 110.681580556636 } }, { "pk": 1590, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.651023333948, - "psi": 7.13509045177166, - "oldID": "644", - "bg": 0.0, + "a6": 117.304406480141, + "psi": -29.0745546966405, + "oldID": "859", + "bg": 43.78, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, + "protein": "1TWF", + "zeta": 33.1068402132582, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1592, - "sidechain_SER": null, - "bm": 19.0, + "next": 1591, + "sidechain_SER": 77, + "bm": 39.0, "xpr": false, - "prev": 1588, + "prev": 1589, "terminal_flag": false, - "phi": 80.1877465563243, + "phi": -50.593005545098, "chainID": "A", "sidechain_GLN": null, - "ome": -178.483585718418, + "ome": 178.941009882, "chi2": null, "chi3": null, - "chi1": null, + "chi1": 53.2982394788645, "chi4": null, "chi5": null, - "a1": 122.199839460201, - "L4": 1.52866164634796, - "L5": 1.23215230729318, - "L2": 1.46126954631219, - "L3": null, - "a7": 121.735084277345, - "L1": 1.32666173931542, + "a1": 122.005785260764, + "L4": 1.52747898766154, + "L5": 1.22354869773309, + "L2": 1.46349544168729, + "L3": 1.53082774053094, + "a7": 122.912230618896, + "L1": 1.32955947331532, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 115.561127150081, - "bs": 0.0, - "a2": null, - "a5": 120.613288546156, + "ss": "T", + "a3": 115.898330264203, + "bs": 41.0, + "a2": 109.74928968276, + "a5": 119.781985304122, "sidechain_LEU": null, - "chainIndex": 643, + "chainIndex": 858, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 110.53454567921 } }, { "pk": 1591, "model": "pgd_core.residue", "fields": { - "aa": "k", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.755094050767, - "psi": 144.065625841834, - "oldID": "431", - "bg": 57.07, + "a6": 115.904517931847, + "psi": -14.8671519666843, + "oldID": "860", + "bg": 50.63, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.7508302135924, + "zeta": 35.463116525046, "sidechain_PHE": null, - "sidechain_LYS": 110, + "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1593, + "next": 1592, "sidechain_SER": null, - "bm": 50.0, + "bm": 39.0, "xpr": false, - "prev": 1589, + "prev": 1590, "terminal_flag": false, - "phi": -116.747794196494, + "phi": -76.4051714658074, "chainID": "A", "sidechain_GLN": null, - "ome": 179.373788680811, - "chi2": 170.494104349119, - "chi3": 179.448507414364, - "chi1": -78.9140912746005, - "chi4": 174.623510650704, + "ome": -178.74791370854, + "chi2": 167.025143694458, + "chi3": null, + "chi1": -53.037021359312, + "chi4": null, "chi5": null, - "a1": 121.313732775588, - "L4": 1.51216445135586, - "L5": 1.23027958023826, - "L2": 1.4532870301589, - "L3": 1.52547082043585, - "a7": 123.107787017236, - "L1": 1.32658637208299, + "a1": 121.583436407997, + "L4": 1.53206382015163, + "L5": 1.23016959796681, + "L2": 1.46394163835405, + "L3": 1.53523463647195, + "a7": 122.571153204196, + "L1": 1.33010304638971, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.024121889985, - "bs": 59.0, - "a2": 110.599660518632, - "a5": 121.137117058658, - "sidechain_LEU": null, - "chainIndex": 430, + "ss": "T", + "a3": 108.576686801467, + "bs": 49.0, + "a2": 110.535773111979, + "a5": 121.524320059757, + "sidechain_LEU": 135, + "chainIndex": 859, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.914226364394 + "a4": 108.830975446078 } }, { "pk": 1592, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.156307185793, - "psi": 152.938518566118, - "oldID": "645", - "bg": 24.39, + "a6": 117.236175561158, + "psi": 12.4177448656657, + "oldID": "861", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1609617559163, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1594, + "next": 1593, "sidechain_SER": null, - "bm": 17.0, + "bm": 30.0, "xpr": false, - "prev": 1590, + "prev": 1591, "terminal_flag": false, - "phi": -97.4692460923694, + "phi": 90.8345009520904, "chainID": "A", "sidechain_GLN": null, - "ome": 174.599193654564, + "ome": 178.915468532065, "chi2": null, "chi3": null, - "chi1": -57.5934551363952, + "chi1": null, "chi4": null, "chi5": null, - "a1": 118.610906119078, - "L4": 1.53046406006227, - "L5": 1.23438720682589, - "L2": 1.45594756647365, - "L3": 1.52467891339365, - "a7": 123.873698147002, - "L1": 1.32320288124356, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.999309381765, - "bs": 24.0, - "a2": 110.563627056773, - "a5": 120.965541547841, - "sidechain_LEU": null, - "chainIndex": 644, - "sidechain_HIS": 49, - "h_bond_energy": 0.0, - "a4": 109.330690822187 - } -}, -{ - "pk": 1593, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.373880464632, - "psi": 113.77942918908, - "oldID": "432", - "bg": 39.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3019365198402, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 109, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1595, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 1591, - "terminal_flag": false, - "phi": -131.070843528924, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.467982374386, - "chi2": null, - "chi3": null, - "chi1": 178.518213220712, - "chi4": null, - "chi5": null, - "a1": 120.917694050065, - "L4": 1.50379233771183, - "L5": 1.22430845632579, - "L2": 1.45331503848171, - "L3": 1.53474705826978, - "a7": 122.876631836208, - "L1": 1.32551209625763, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.374775019086, - "bs": 41.0, - "a2": 112.247740569242, - "a5": 120.745871315547, - "sidechain_LEU": null, - "chainIndex": 431, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.354987482045 - } -}, -{ - "pk": 1594, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.112224045769, - "psi": 126.611334217818, - "oldID": "646", - "bg": 15.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.2614183956154, - "sidechain_PHE": 58, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1596, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1592, - "terminal_flag": false, - "phi": -46.0836293343024, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.865439288917, - "chi2": 82.2098739489188, - "chi3": null, - "chi1": 179.873303961095, - "chi4": null, - "chi5": null, - "a1": 124.357020944109, - "L4": 1.51607755208685, - "L5": 1.23574908982182, - "L2": 1.45592681456638, - "L3": 1.52409662277923, - "a7": 123.407679284664, - "L1": 1.32374595556101, + "a1": 120.09575294897, + "L4": 1.51968674489771, + "L5": 1.23128460289243, + "L2": 1.44511615349901, + "L3": null, + "a7": 122.31585567389, + "L1": 1.32622444932551, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "B", - "a3": 109.662602557848, - "bs": 15.0, - "a2": 107.873562526945, - "a5": 120.469534655192, + "ss": "-", + "a3": 110.629385534596, + "bs": 0.0, + "a2": null, + "a5": 120.434336212923, "sidechain_LEU": null, - "chainIndex": 645, + "chainIndex": 860, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 107.048008322754 + "a4": null } }, { - "pk": 1595, + "pk": 1593, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": null, + "sidechain_ASN": 64, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.340591512073, - "psi": 89.8687948401555, - "oldID": "433", - "bg": 39.28, + "a6": 117.186729884618, + "psi": 143.730083052453, + "oldID": "862", + "bg": 34.17, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.1049218808203, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1597, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 1593, - "terminal_flag": false, - "phi": -81.5386378615497, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.204087632575, - "chi2": 160.772061313416, - "chi3": 49.1688785402371, - "chi1": -93.9234843431156, - "chi4": null, - "chi5": null, - "a1": 118.906503335948, - "L4": 1.51888822987998, - "L5": 1.22233126338293, - "L2": 1.44322779147151, - "L3": 1.50826660673561, - "a7": 123.489383410957, - "L1": 1.31939638191059, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 117, - "omep": null, - "ss": "E", - "a3": 110.043911897388, - "bs": 40.0, - "a2": 110.073442572958, - "a5": 121.162234327954, - "sidechain_LEU": null, - "chainIndex": 432, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.794161366972 - } -}, -{ - "pk": 1596, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 97, - "a6": 117.295788299052, - "psi": 104.859919794211, - "oldID": "647", - "bg": 17.95, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6147127259881, + "zeta": 34.4299959504799, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1598, + "next": 1594, "sidechain_SER": null, - "bm": 14.0, + "bm": 27.0, "xpr": false, - "prev": 1594, + "prev": 1592, "terminal_flag": false, - "phi": -123.340256160942, + "phi": -72.6973957159604, "chainID": "A", "sidechain_GLN": null, - "ome": -175.027408746369, - "chi2": -28.9307744394206, + "ome": -179.901767612604, + "chi2": -27.359590655782, "chi3": null, - "chi1": -173.765474256285, + "chi1": -72.6692241869513, "chi4": null, "chi5": null, - "a1": 121.854813952911, - "L4": 1.53391315530282, - "L5": 1.22526009001261, - "L2": 1.4468018741603, - "L3": 1.52733818566499, - "a7": 121.562678116107, - "L1": 1.32117119871266, + "a1": 119.869875071408, + "L4": 1.52589152953648, + "L5": 1.22157661538148, + "L2": 1.45784370853378, + "L3": 1.51731138997046, + "a7": 122.180564760523, + "L1": 1.32947210069702, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 110.168278099556, - "bs": 18.0, - "a2": 109.470125885728, - "a5": 121.121023755187, - "sidechain_LEU": null, - "chainIndex": 646, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.748712723515 - } -}, -{ - "pk": 1597, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.798160296005, - "psi": 157.920062126947, - "oldID": "434", - "bg": 39.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.2211500089209, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1599, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1595, - "terminal_flag": false, - "phi": -89.2108181141198, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.181446755871, - "chi2": 155.626500115846, - "chi3": -74.5764262744238, - "chi1": 42.8163432341173, - "chi4": -121.434219340415, - "chi5": -0.331744160412317, - "a1": 122.903186375032, - "L4": 1.52686717244979, - "L5": 1.23033481352175, - "L2": 1.45359238690884, - "L3": 1.51801201674186, - "a7": 123.300031907143, - "L1": 1.32728120672911, - "sidechain_ARG": 81, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.903083617439, - "bs": 42.0, - "a2": 108.803049836478, - "a5": 120.893644965692, - "sidechain_LEU": null, - "chainIndex": 433, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.507457424601 - } -}, -{ - "pk": 1598, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 85, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.361938838406, - "psi": -30.5878731160096, - "oldID": "648", - "bg": 16.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.7903134559873, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1600, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1596, - "terminal_flag": false, - "phi": -65.5915968610128, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.811555785339, - "chi2": -31.8066302793688, - "chi3": 26.8176078612834, - "chi1": 23.2631985222355, - "chi4": -12.313854034635, - "chi5": null, - "a1": 120.9464068729, - "L4": 1.53973489852658, - "L5": 1.23186291916703, - "L2": 1.47671390491859, - "L3": 1.52553189688735, - "a7": 122.979554281805, - "L1": 1.32348208357871, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 7.88109386906023, - "ss": "H", - "a3": 112.496836157632, - "bs": 16.0, - "a2": 103.455501924526, - "a5": 119.648121889215, + "a3": 110.568928964343, + "bs": 32.0, + "a2": 110.80845389406, + "a5": 120.62318607194, "sidechain_LEU": null, - "chainIndex": 647, + "chainIndex": 861, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.867522804993 + "a4": 109.39211745212 } }, { - "pk": 1599, + "pk": 1594, "model": "pgd_core.residue", "fields": { - "aa": "h", + "aa": "v", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 118.281647514244, - "psi": 154.471706384059, - "oldID": "435", - "bg": 39.7, + "a6": 116.492074401548, + "psi": 124.546328737538, + "oldID": "863", + "bg": 25.12, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 36.3418628591743, + "zeta": 33.5061518128185, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": null, + "sidechain_VAL": 121, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1601, + "next": 1595, "sidechain_SER": null, - "bm": 34.0, + "bm": 25.0, "xpr": false, - "prev": 1597, + "prev": 1593, "terminal_flag": false, - "phi": -68.5004478494997, + "phi": -81.8419101234378, "chainID": "A", "sidechain_GLN": null, - "ome": 177.568698587839, + "ome": 178.423327606274, "chi2": null, "chi3": null, - "chi1": -58.2064652564095, + "chi1": 169.47547549666, "chi4": null, "chi5": null, - "a1": 122.744622250345, - "L4": 1.5262052340523, - "L5": 1.22650459676796, - "L2": 1.45261003913041, - "L3": 1.53405268372607, - "a7": 121.438775385098, - "L1": 1.32737284531226, + "a1": 119.413149709927, + "L4": 1.51482538968868, + "L5": 1.22874667096664, + "L2": 1.44732947818912, + "L3": 1.5437051842107, + "a7": 122.461099262934, + "L1": 1.32526111069375, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 109.374067151884, - "bs": 41.0, - "a2": 109.263209781296, - "a5": 120.279574613119, - "sidechain_LEU": null, - "chainIndex": 434, - "sidechain_HIS": 50, - "h_bond_energy": 0.0, - "a4": 108.704485605902 - } -}, -{ - "pk": 1600, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.634906038169, - "psi": -44.7864269350849, - "oldID": "649", - "bg": 17.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.9902359318429, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1602, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1598, - "terminal_flag": false, - "phi": -69.1264026896075, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.4636262462, - "chi2": null, - "chi3": null, - "chi1": -70.3831777654361, - "chi4": null, - "chi5": null, - "a1": 120.945933512214, - "L4": 1.51034333822407, - "L5": 1.22930969858005, - "L2": 1.46641843997396, - "L3": 1.53702597572034, - "a7": 123.080273681594, - "L1": 1.32311848081964, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.150953812739, - "bs": 17.0, - "a2": 111.425838760797, - "a5": 120.26753560498, + "a3": 110.067661632601, + "bs": 25.0, + "a2": 111.197247545301, + "a5": 121.019501811691, "sidechain_LEU": null, - "chainIndex": 648, - "sidechain_HIS": 51, + "chainIndex": 862, + "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 113.008574256204 + "a4": 110.92843481437 } }, { - "pk": 1601, + "pk": 1595, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -160438,56553 +147968,1592 @@ "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.111476261284, - "psi": 148.088584368095, - "oldID": "436", - "bg": 33.44, + "a6": 115.483654595258, + "psi": -35.1314746151606, + "oldID": "864", + "bg": 30.86, "sidechain_CYS": null, - "sidechain_ILE": 88, + "sidechain_ILE": 93, "protein": "1TWF", - "zeta": 33.6217209892337, + "zeta": 33.2716308083097, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1603, + "next": 1596, "sidechain_SER": null, - "bm": 33.0, + "bm": 27.0, "xpr": false, - "prev": 1599, + "prev": 1594, "terminal_flag": false, - "phi": -65.0917509190876, + "phi": -99.6311825401355, "chainID": "A", "sidechain_GLN": null, - "ome": -178.102729635294, - "chi2": 163.12087977427, + "ome": 179.50476594308, + "chi2": -163.471051325811, "chi3": null, - "chi1": 52.1147565254201, + "chi1": -65.8668295838076, "chi4": null, "chi5": null, - "a1": 117.413889891568, - "L4": 1.52677103888571, - "L5": 1.23163941718899, - "L2": 1.45443911354608, - "L3": 1.53922026880385, - "a7": 123.408717753437, - "L1": 1.32584542256465, + "a1": 119.210860987545, + "L4": 1.51120072594178, + "L5": 1.23661454492449, + "L2": 1.43986161720935, + "L3": 1.50369580439157, + "a7": 124.507599724429, + "L1": 1.32677264833187, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 105.889408296685, + "ss": "E", + "a3": 108.809870064028, "bs": 31.0, - "a2": 112.620180669991, - "a5": 120.457351346959, - "sidechain_LEU": null, - "chainIndex": 435, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.444775142371 - } -}, -{ - "pk": 1602, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.556205405343, - "psi": -48.3806373852107, - "oldID": "650", - "bg": 17.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0969759743153, - "sidechain_PHE": null, - "sidechain_LYS": 111, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1604, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1600, - "terminal_flag": false, - "phi": -59.7613662063098, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.1558151416, - "chi2": -169.52836438185, - "chi3": 66.8213030506433, - "chi1": -79.1531826008571, - "chi4": 174.76316172363, - "chi5": null, - "a1": 120.497263353967, - "L4": 1.53354194674928, - "L5": 1.21370006957963, - "L2": 1.45466661350827, - "L3": 1.53842436151048, - "a7": 122.518173322488, - "L1": 1.33220045314873, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.098990523282, - "bs": 17.0, - "a2": 111.228048529685, - "a5": 119.901953847017, + "a2": 111.704059723077, + "a5": 119.981712377221, "sidechain_LEU": null, - "chainIndex": 649, + "chainIndex": 863, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.561777240117 + "a4": 110.762014044315 } }, { - "pk": 1603, + "pk": 1596, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.476298734857, - "psi": 172.481095250607, - "oldID": "437", - "bg": 42.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.5297729080447, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 38, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1605, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 1601, - "terminal_flag": false, - "phi": -132.595324652869, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.256157200113, - "chi2": -173.171232667357, - "chi3": -60.6129771215833, - "chi1": -51.9558399030843, - "chi4": null, - "chi5": null, - "a1": 123.909801097968, - "L4": 1.51088134370491, - "L5": 1.23444294124347, - "L2": 1.46194554713502, - "L3": 1.52923191868335, - "a7": 123.046570110068, - "L1": 1.33308218415814, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.770985078998, - "bs": 43.0, - "a2": 110.602842568796, - "a5": 121.438891170572, - "sidechain_LEU": null, - "chainIndex": 436, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.442448168453 - } -}, -{ - "pk": 1604, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.512428847243, - "psi": -44.2336674558044, - "oldID": "651", - "bg": 13.18, - "sidechain_CYS": null, - "sidechain_ILE": 89, - "protein": "1H0H", - "zeta": 33.323272598279, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1606, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1602, - "terminal_flag": false, - "phi": -63.196221511938, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.012579731175, - "chi2": 160.809116746979, - "chi3": null, - "chi1": -63.7768992100356, - "chi4": null, - "chi5": null, - "a1": 120.111341095306, - "L4": 1.53940093720682, - "L5": 1.2317813795568, - "L2": 1.46104710901454, - "L3": 1.54262845839171, - "a7": 122.189939249999, - "L1": 1.33045103319073, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.437335716666, - "bs": 12.0, - "a2": 109.948872820513, - "a5": 120.297458713477, - "sidechain_LEU": null, - "chainIndex": 650, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.40127750013 - } -}, -{ - "pk": 1605, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 98, - "a6": 114.25225282376, - "psi": 136.605132519379, - "oldID": "438", - "bg": 27.37, + "a6": 118.127679896662, + "psi": 128.472328804626, + "oldID": "865", + "bg": 27.4, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.3689756522902, + "zeta": 35.3334575062495, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1607, + "next": 1597, "sidechain_SER": null, - "bm": 27.0, + "bm": 28.0, "xpr": false, - "prev": 1603, + "prev": 1595, "terminal_flag": false, - "phi": -48.8166534669561, + "phi": -146.25467766384, "chainID": "A", - "sidechain_GLN": null, - "ome": 179.157608496974, - "chi2": 11.3635697353355, - "chi3": null, - "chi1": -78.9085327991174, + "sidechain_GLN": 68, + "ome": -178.506601724584, + "chi2": -174.063466414192, + "chi3": -44.3647443995202, + "chi1": -61.549088842235, "chi4": null, "chi5": null, - "a1": 120.46043440811, - "L4": 1.52717805932334, - "L5": 1.23039527022894, - "L2": 1.4455372908721, - "L3": 1.52891655136517, - "a7": 123.891133941007, - "L1": 1.32478206695804, + "a1": 124.466131729432, + "L4": 1.54086822771831, + "L5": 1.22900572597822, + "L2": 1.47005067222745, + "L3": 1.54293083136497, + "a7": 121.460858969076, + "L1": 1.33331202915499, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 113.455879996326, - "bs": 27.0, - "a2": 109.729076910024, - "a5": 121.812261981241, + "ss": "E", + "a3": 107.180596619607, + "bs": 28.0, + "a2": 111.200018680063, + "a5": 120.411351742938, "sidechain_LEU": null, - "chainIndex": 437, + "chainIndex": 864, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.206568229416 + "a4": 108.701108513004 } }, { - "pk": 1606, + "pk": 1597, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "f", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.066441103276, - "psi": -34.4472498545781, - "oldID": "652", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1158921692198, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1608, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1604, - "terminal_flag": false, - "phi": -59.4164342100297, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.996832975435, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.264334927039, - "L4": 1.54111424074437, - "L5": 1.24461761455159, - "L2": 1.44793568761621, - "L3": 1.4915680785628, - "a7": 121.415746349062, - "L1": 1.33170738788161, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.064003209102, - "bs": 15.0, - "a2": 110.449806427335, - "a5": 121.512146345891, - "sidechain_LEU": null, - "chainIndex": 651, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.818676507056 - } -}, -{ - "pk": 1607, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 68, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.955709940331, - "psi": 24.7515042832307, - "oldID": "439", - "bg": 31.32, + "a6": 115.843151597738, + "psi": -19.1436909462308, + "oldID": "866", + "bg": 27.98, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 32.4741297931733, - "sidechain_PHE": null, + "zeta": 31.648856858531, + "sidechain_PHE": 66, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1609, + "next": 1598, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 1605, + "prev": 1596, "terminal_flag": false, - "phi": 68.9834711807199, + "phi": -65.882975797055, "chainID": "A", "sidechain_GLN": null, - "ome": 176.909070022574, - "chi2": -45.9729581616316, + "ome": 175.659731941697, + "chi2": 81.6644798403488, "chi3": null, - "chi1": -65.2723152493433, + "chi1": -70.1801057727765, "chi4": null, "chi5": null, - "a1": 123.360600767349, - "L4": 1.54372955047737, - "L5": 1.22120317063924, - "L2": 1.4523116665887, - "L3": 1.53123181119179, - "a7": 121.589489909227, - "L1": 1.32768796663159, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 118.051141361107, - "bs": 29.0, - "a2": 108.576484685884, - "a5": 120.454687869774, - "sidechain_LEU": null, - "chainIndex": 438, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.604035035982 - } -}, -{ - "pk": 1608, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.11545397218, - "psi": -34.0649618007879, - "oldID": "653", - "bg": 17.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8832946380968, - "sidechain_PHE": null, - "sidechain_LYS": 112, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1610, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1606, - "terminal_flag": false, - "phi": -70.7183625897391, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.385014821982, - "chi2": 170.417183199613, - "chi3": 173.225549379382, - "chi1": -73.1933235311717, - "chi4": -177.249071100498, - "chi5": null, - "a1": 118.207705974894, - "L4": 1.52690244156737, - "L5": 1.22570745879192, - "L2": 1.46254051921004, - "L3": 1.52108856360972, - "a7": 122.397684419194, - "L1": 1.32231359786795, + "a1": 118.993256756725, + "L4": 1.52579121928985, + "L5": 1.22876985784722, + "L2": 1.45343239871517, + "L3": 1.52617136302165, + "a7": 122.749732765874, + "L1": 1.3239537327083, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.756971249911, - "bs": 20.0, - "a2": 112.219492187643, - "a5": 120.484777883957, + "ss": "S", + "a3": 112.52136194292, + "bs": 26.0, + "a2": 109.467627901379, + "a5": 121.379564246938, "sidechain_LEU": null, - "chainIndex": 652, + "chainIndex": 865, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.121661934167 + "a4": 114.020538717288 } }, { - "pk": 1609, + "pk": 1598, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 99, - "a6": 116.767291455395, - "psi": 137.875391581315, - "oldID": "440", - "bg": 32.67, + "sidechain_ASP": null, + "a6": 115.970712142578, + "psi": 138.909202696476, + "oldID": "867", + "bg": 24.44, "sidechain_CYS": null, - "sidechain_ILE": null, + "sidechain_ILE": 94, "protein": "1TWF", - "zeta": 35.6567588897456, + "zeta": 33.489831927013, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1611, + "next": 1599, "sidechain_SER": null, - "bm": 30.0, + "bm": 25.0, "xpr": false, - "prev": 1607, + "prev": 1597, "terminal_flag": false, - "phi": -91.3402475022073, + "phi": -153.539554285251, "chainID": "A", "sidechain_GLN": null, - "ome": 179.653424969532, - "chi2": -49.4965038442898, + "ome": -177.894060915439, + "chi2": 174.685608602593, "chi3": null, - "chi1": -81.2328350810732, + "chi1": -155.74390788101, "chi4": null, "chi5": null, - "a1": 119.434407971412, - "L4": 1.5101565155001, - "L5": 1.23096456910432, - "L2": 1.46090822557992, - "L3": 1.52650245648906, - "a7": 122.387859785187, - "L1": 1.33052295949773, + "a1": 121.929612433327, + "L4": 1.52537071850236, + "L5": 1.238295992966, + "L2": 1.44720370840564, + "L3": 1.56516716711564, + "a7": 123.617995701624, + "L1": 1.32217456353162, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 104.729841680422, - "bs": 31.0, - "a2": 113.648823484636, - "a5": 120.843593020733, + "ss": "S", + "a3": 101.890990080067, + "bs": 26.0, + "a2": 112.101630521945, + "a5": 120.384595397408, "sidechain_LEU": null, - "chainIndex": 439, + "chainIndex": 866, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 106.233643974349 + "a4": 112.746549552254 } }, { - "pk": 1610, + "pk": 1599, "model": "pgd_core.residue", "fields": { - "aa": "l", + "aa": "y", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.013638644358, - "psi": -40.1359285634726, - "oldID": "654", - "bg": 12.81, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.022961587426, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1612, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1608, - "terminal_flag": false, - "phi": -68.0101371496933, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.378065031071, - "chi2": 66.2551739620166, - "chi3": null, - "chi1": 178.475561261881, - "chi4": null, - "chi5": null, - "a1": 120.264001380681, - "L4": 1.52709086073765, - "L5": 1.22667993347765, - "L2": 1.46233196455627, - "L3": 1.53997159025574, - "a7": 122.278085829414, - "L1": 1.32654447817059, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.434478336908, - "bs": 13.0, - "a2": 110.827289963558, - "a5": 121.668030492497, - "sidechain_LEU": 130, - "chainIndex": 653, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.791424936492 - } -}, -{ - "pk": 1611, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 86, - "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.493178789531, - "psi": 123.110459885215, - "oldID": "441", - "bg": 30.92, + "a6": 115.57687029726, + "psi": 132.756275589708, + "oldID": "868", + "bg": 26.26, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 38.1495316695246, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1613, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1609, - "terminal_flag": false, - "phi": -70.5100477796271, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.698769440524, - "chi2": -43.6830971405453, - "chi3": 34.9420174556842, - "chi1": 34.6792175098054, - "chi4": -12.9658238719507, - "chi5": null, - "a1": 121.165438712096, - "L4": 1.51646063393886, - "L5": 1.21952133019388, - "L2": 1.4625816525151, - "L3": 1.51688688388323, - "a7": 122.500074763061, - "L1": 1.33113310223943, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 3.41202149908635, - "ss": "E", - "a3": 109.885075845783, - "bs": 29.0, - "a2": 102.817897957492, - "a5": 120.992912450871, - "sidechain_LEU": null, - "chainIndex": 440, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.990490884251 - } -}, -{ - "pk": 1612, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.259361188912, - "psi": -40.0019819507667, - "oldID": "655", - "bg": 13.88, - "sidechain_CYS": null, - "sidechain_ILE": 90, - "protein": "1H0H", - "zeta": 34.5774664986388, + "zeta": 34.585971709455, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 1614, + "next": 1600, "sidechain_SER": null, - "bm": 13.0, + "bm": 24.0, "xpr": false, - "prev": 1610, + "prev": 1598, "terminal_flag": false, - "phi": -62.4526104646883, + "phi": -58.4496174731245, "chainID": "A", "sidechain_GLN": null, - "ome": 177.700684950857, - "chi2": 164.206764506404, + "ome": 179.955419065891, + "chi2": 53.9489616037807, "chi3": null, - "chi1": -84.6895103064233, - "chi4": null, - "chi5": null, - "a1": 120.517263684972, - "L4": 1.51886582815826, - "L5": 1.23868864109146, - "L2": 1.45093054943712, - "L3": 1.53023550528634, - "a7": 122.508376568739, - "L1": 1.32310709087993, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.762300704705, - "bs": 14.0, - "a2": 108.41647785635, - "a5": 122.133660273675, - "sidechain_LEU": null, - "chainIndex": 654, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.627187819603 - } -}, -{ - "pk": 1613, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.127416167117, - "psi": 139.06519927419, - "oldID": "442", - "bg": 30.95, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0310132644485, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 110, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1615, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1611, - "terminal_flag": false, - "phi": -134.618953281381, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.93174992616, - "chi2": null, - "chi3": null, - "chi1": -77.8412756150648, - "chi4": null, - "chi5": null, - "a1": 120.285347558293, - "L4": 1.51102782218248, - "L5": 1.23071188999137, - "L2": 1.44518737325837, - "L3": 1.5328098906011, - "a7": 122.999416320867, - "L1": 1.31787432746364, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.018319911358, - "bs": 29.0, - "a2": 111.982314941678, - "a5": 121.846842430435, - "sidechain_LEU": null, - "chainIndex": 441, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.298958112758 - } -}, -{ - "pk": 1614, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 69, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.910137782248, - "psi": -50.6963605408586, - "oldID": "656", - "bg": 13.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0508372944952, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1616, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1612, - "terminal_flag": false, - "phi": -66.9537047235326, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.153161544699, - "chi2": 98.7095230673726, - "chi3": null, - "chi1": 174.236567443816, - "chi4": null, - "chi5": null, - "a1": 119.640132486695, - "L4": 1.52937133304931, - "L5": 1.23575127226876, - "L2": 1.45893183505436, - "L3": 1.53075157314195, - "a7": 123.835491476914, - "L1": 1.32330793644439, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.225485280094, - "bs": 13.0, - "a2": 109.796789152546, - "a5": 121.247149550862, - "sidechain_LEU": null, - "chainIndex": 655, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.553033346649 - } -}, -{ - "pk": 1615, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.677902527106, - "psi": 136.796218876967, - "oldID": "443", - "bg": 30.31, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.641865646029, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1617, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 1613, - "terminal_flag": false, - "phi": -78.9830732738526, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.268576251365, - "chi2": 56.3472739199355, - "chi3": null, - "chi1": -159.143547662012, - "chi4": null, - "chi5": null, - "a1": 121.278591781576, - "L4": 1.52458103924215, - "L5": 1.23803671097237, - "L2": 1.44037541601412, - "L3": 1.52880062540586, - "a7": 124.027498087619, - "L1": 1.31915548643607, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.83069918399, - "bs": 29.0, - "a2": 108.638769059459, - "a5": 120.265354850129, - "sidechain_LEU": 131, - "chainIndex": 442, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.273069696866 - } -}, -{ - "pk": 1616, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.43725590025, - "psi": 153.784388600961, - "oldID": "657", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1619, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1614, - "terminal_flag": false, - "phi": 108.770842211328, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.652851469549, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 123.586057873439, - "L4": 1.50450620093557, - "L5": 1.2291377699396, - "L2": 1.44946067169809, - "L3": null, - "a7": 123.636996104472, - "L1": 1.33095264667526, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.00570919649, - "bs": 0.0, - "a2": null, - "a5": 119.873928722195, - "sidechain_LEU": null, - "chainIndex": 656, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1617, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.000914816532, - "psi": 126.940334236005, - "oldID": "444", - "bg": 25.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3853041844041, - "sidechain_PHE": 59, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1618, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 1615, - "terminal_flag": false, - "phi": -127.068389930543, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.853342413412, - "chi2": 44.4973679156966, - "chi3": null, - "chi1": -151.338038567218, - "chi4": null, - "chi5": null, - "a1": 124.183493507914, - "L4": 1.53581797308012, - "L5": 1.23594750885752, - "L2": 1.46505732872735, - "L3": 1.53508046410328, - "a7": 123.290489020369, - "L1": 1.33454205739147, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.666549114017, - "bs": 25.0, - "a2": 110.8480757665, - "a5": 120.696693249758, - "sidechain_LEU": null, - "chainIndex": 443, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.796883921643 - } -}, -{ - "pk": 1618, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 70, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.42361165769, - "psi": 135.341258653894, - "oldID": "445", - "bg": 25.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.7197372202188, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1620, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 1617, - "terminal_flag": false, - "phi": -135.098133260345, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.582036860622, - "chi2": -137.175180364523, - "chi3": null, - "chi1": 170.736184475397, - "chi4": null, - "chi5": null, - "a1": 121.186272011297, - "L4": 1.53440720334166, - "L5": 1.22600103208501, - "L2": 1.45084945232384, - "L3": 1.53021032557777, - "a7": 122.124574984388, - "L1": 1.33241661904319, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 119.455350350729, - "bs": 26.0, - "a2": 108.417674117356, - "a5": 121.43212970943, - "sidechain_LEU": null, - "chainIndex": 444, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.416739629981 - } -}, -{ - "pk": 1619, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.449241775456, - "psi": 167.494672487098, - "oldID": "658", - "bg": 14.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4408654457247, - "sidechain_PHE": 60, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1621, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1616, - "terminal_flag": false, - "phi": -145.977166411576, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.056726111586, - "chi2": 77.8721980629679, - "chi3": null, - "chi1": 45.7178977698057, - "chi4": null, - "chi5": null, - "a1": 122.217691686767, - "L4": 1.52382128664416, - "L5": 1.21782117821919, - "L2": 1.4658622547337, - "L3": 1.53493671751635, - "a7": 122.198242761674, - "L1": 1.33142097681649, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 111.360268530568, - "bs": 15.0, - "a2": 110.111214696517, - "a5": 121.348275359467, - "sidechain_LEU": null, - "chainIndex": 657, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.014620739049 - } -}, -{ - "pk": 1620, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.375077238254, - "psi": 113.343209882615, - "oldID": "446", - "bg": 33.17, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.4361287621059, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1622, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1618, - "terminal_flag": false, - "phi": -115.126809303873, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.848710828951, - "chi2": 113.749485484323, - "chi3": -143.966916325045, - "chi1": 159.857323796893, - "chi4": -66.084838170386, - "chi5": 0.609474755253132, - "a1": 120.637347715141, - "L4": 1.52678514641128, - "L5": 1.21605765545414, - "L2": 1.44816222335543, - "L3": 1.51625660935414, - "a7": 122.208200694152, - "L1": 1.32377630109217, - "sidechain_ARG": 82, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.421605022569, - "bs": 44.0, - "a2": 110.866398016507, - "a5": 120.411262999571, - "sidechain_LEU": null, - "chainIndex": 445, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.711035018255 - } -}, -{ - "pk": 1621, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.240097789234, - "psi": 131.574015498582, - "oldID": "659", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1500803864487, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1623, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1619, - "terminal_flag": false, - "phi": -75.1413156309723, - "chainID": "A", - "sidechain_GLN": null, - "ome": 172.770594662887, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.826017293287, - "L4": 1.536574711712, - "L5": 1.24194039845479, - "L2": 1.44591398233019, - "L3": 1.5177233301783, - "a7": 122.654906127287, - "L1": 1.32416513977037, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 111.08291887574, - "bs": 15.0, - "a2": 109.482813176799, - "a5": 121.080075970388, - "sidechain_LEU": null, - "chainIndex": 658, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.002392776307 - } -}, -{ - "pk": 1622, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.684294452058, - "psi": 155.660921070367, - "oldID": "447", - "bg": 25.43, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9778259289351, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1624, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 1620, - "terminal_flag": false, - "phi": -79.3308130309438, - "chainID": "A", - "sidechain_GLN": 59, - "ome": -0.855133019049802, - "chi2": 168.395724923033, - "chi3": -52.4549493537349, - "chi1": -55.6839267279576, - "chi4": null, - "chi5": null, - "a1": 120.672060607521, - "L4": 1.52362913342426, - "L5": 1.22358560093472, - "L2": 1.45555831823614, - "L3": 1.52564328909401, - "a7": 121.894194679449, - "L1": 1.32193404838229, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 107.885779387023, - "bs": 23.0, - "a2": 110.155016424791, - "a5": 120.17152740178, - "sidechain_LEU": null, - "chainIndex": 446, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.126371543606 - } -}, -{ - "pk": 1623, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.361199874802, - "psi": -22.8052599660356, - "oldID": "660", - "bg": 17.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.1021197598687, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1625, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1621, - "terminal_flag": false, - "phi": -90.2005603529194, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.286863113374, - "chi2": -179.509486022967, - "chi3": null, - "chi1": -75.0406387692589, - "chi4": null, - "chi5": null, - "a1": 121.598935279259, - "L4": 1.53494946190208, - "L5": 1.2347942132568, - "L2": 1.46282085515079, - "L3": 1.52121180248449, - "a7": 123.404088717727, - "L1": 1.3290633729371, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.841194323958, - "bs": 16.0, - "a2": 110.148982808774, - "a5": 120.032585846565, - "sidechain_LEU": 132, - "chainIndex": 659, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.745460992471 - } -}, -{ - "pk": 1624, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 87, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.186545949633, - "psi": 142.256461300848, - "oldID": "448", - "bg": 16.09, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.2748395333639, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1626, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1622, - "terminal_flag": false, - "phi": -74.4554876069802, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.261242933256, - "chi2": -38.9012645204897, - "chi3": 30.1542323065996, - "chi1": 32.2893021281955, - "chi4": -9.81110746643181, - "chi5": null, - "a1": 123.746958108515, - "L4": 1.54851702311351, - "L5": 1.23647464280826, - "L2": 1.45465559761673, - "L3": 1.53711496567546, - "a7": 123.230356223996, - "L1": 1.34084281728093, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 178.139075404067, - "ss": "S", - "a3": 105.215882150758, - "bs": 17.0, - "a2": 102.486738738494, - "a5": 120.5745958208, - "sidechain_LEU": null, - "chainIndex": 447, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 114.57212457184 - } -}, -{ - "pk": 1625, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.716280955207, - "psi": 161.248650457723, - "oldID": "661", - "bg": 22.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8571895454776, - "sidechain_PHE": null, - "sidechain_LYS": 113, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1627, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1623, - "terminal_flag": false, - "phi": -146.772528882288, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.992910918603, - "chi2": -158.143247835419, - "chi3": 153.168500118128, - "chi1": 22.6535244590636, - "chi4": 125.91474307449, - "chi5": null, - "a1": 123.169235234146, - "L4": 1.51874393241081, - "L5": 1.22604874106768, - "L2": 1.46669911747855, - "L3": 1.5431843063746, - "a7": 122.359386641652, - "L1": 1.33396992180166, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.245675932966, - "bs": 22.0, - "a2": 113.141674604914, - "a5": 120.923576582319, - "sidechain_LEU": null, - "chainIndex": 660, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.013944911811 - } -}, -{ - "pk": 1626, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.99529343794, - "psi": 87.7838738687728, - "oldID": "449", - "bg": 33.11, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.8838189788284, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1629, - "sidechain_SER": 80, - "bm": 28.0, - "xpr": false, - "prev": 1624, - "terminal_flag": false, - "phi": -94.6330197830196, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.360497195728, - "chi2": null, - "chi3": null, - "chi1": -27.0358562795218, - "chi4": null, - "chi5": null, - "a1": 124.196798703218, - "L4": 1.53294901864819, - "L5": 1.22519892314153, - "L2": 1.46885205870801, - "L3": 1.52185617112199, - "a7": 122.10233513381, - "L1": 1.32821264313613, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.267911001843, - "bs": 32.0, - "a2": 108.945384841175, - "a5": 119.892061720282, - "sidechain_LEU": null, - "chainIndex": 448, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.893597325331 - } -}, -{ - "pk": 1627, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 100, - "a6": 116.236573128672, - "psi": 142.861046678069, - "oldID": "662", - "bg": 21.8, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.8546258373178, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1628, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1625, - "terminal_flag": false, - "phi": -66.5535534148586, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.717767184046, - "chi2": -8.99080151766083, - "chi3": null, - "chi1": -64.2251147372361, - "chi4": null, - "chi5": null, - "a1": 119.592179277487, - "L4": 1.51631881670943, - "L5": 1.24103068144542, - "L2": 1.44774751314521, - "L3": 1.53557015539973, - "a7": 123.213761848866, - "L1": 1.32117485512122, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 106.809493136481, - "bs": 21.0, - "a2": 111.910057386374, - "a5": 120.535957362875, - "sidechain_LEU": null, - "chainIndex": 661, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.850692642107 - } -}, -{ - "pk": 1628, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.187801830787, - "psi": 166.332177588432, - "oldID": "663", - "bg": 17.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4228139503975, - "sidechain_PHE": 61, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1630, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1627, - "terminal_flag": false, - "phi": -161.318584361502, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.16773120323, - "chi2": -89.8545174662096, - "chi3": null, - "chi1": 72.456160133494, - "chi4": null, - "chi5": null, - "a1": 121.292178511615, - "L4": 1.50333750077618, - "L5": 1.21989738986456, - "L2": 1.45019744571254, - "L3": 1.53921541837333, - "a7": 123.272456588844, - "L1": 1.32085227906266, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.368874880798, - "bs": 16.0, - "a2": 111.948405058035, - "a5": 120.538654604039, - "sidechain_LEU": null, - "chainIndex": 662, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.843376143326 - } -}, -{ - "pk": 1629, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 113.307119952765, - "psi": 16.4326382587037, - "oldID": "450", - "bg": 40.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9969307256534, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1631, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1626, - "terminal_flag": false, - "phi": -113.619998980586, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.120370250551, - "chi2": 63.4699396935961, - "chi3": null, - "chi1": 12.7547189483268, - "chi4": null, - "chi5": null, - "a1": 120.95477150724, - "L4": 1.5165158713115, - "L5": 1.23040054129045, - "L2": 1.45807663039177, - "L3": 1.52421889428081, - "a7": 124.662709084693, - "L1": 1.32668686174139, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.414879762577, - "bs": 39.0, - "a2": 108.90532925735, - "a5": 121.857912912935, - "sidechain_LEU": 133, - "chainIndex": 449, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.219733984124 - } -}, -{ - "pk": 1630, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.549795929163, - "psi": 144.784386224448, - "oldID": "664", - "bg": 20.79, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2725305001186, - "sidechain_PHE": null, - "sidechain_LYS": 114, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1632, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 1628, - "terminal_flag": false, - "phi": -127.915194233448, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.444953024189, - "chi2": -177.916476233102, - "chi3": -164.12745701497, - "chi1": -176.832309701544, - "chi4": -163.776145168994, - "chi5": null, - "a1": 121.683097010731, - "L4": 1.53232194237017, - "L5": 1.24257052448544, - "L2": 1.44838779982226, - "L3": 1.52995750553807, - "a7": 122.729121499148, - "L1": 1.32856655888798, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.78484006102, - "bs": 20.0, - "a2": 111.605400510783, - "a5": 121.709741358691, - "sidechain_LEU": null, - "chainIndex": 663, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.811122284601 - } -}, -{ - "pk": 1631, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 119.618830832868, - "psi": 124.740382421963, - "oldID": "451", - "bg": 50.58, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 39.6501634557372, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1633, - "sidechain_SER": null, - "bm": 40.0, - "xpr": false, - "prev": 1629, - "terminal_flag": false, - "phi": -139.811307098605, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.186927014813, - "chi2": null, - "chi3": null, - "chi1": -131.673014384951, - "chi4": null, - "chi5": null, - "a1": 125.517728680723, - "L4": 1.51220850703199, - "L5": 1.21979928028963, - "L2": 1.45129171893769, - "L3": 1.51534352049897, - "a7": 121.544008337097, - "L1": 1.32596286318179, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.025852302088, - "bs": 51.0, - "a2": 106.988660493537, - "a5": 118.815273023486, - "sidechain_LEU": null, - "chainIndex": 450, - "sidechain_HIS": 52, - "h_bond_energy": 0.0, - "a4": 105.950614893073 - } -}, -{ - "pk": 1632, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.471471169413, - "psi": 116.181056018533, - "oldID": "665", - "bg": 21.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0943696885887, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 111, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1634, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 1630, - "terminal_flag": false, - "phi": -140.031912332019, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.944648009834, - "chi2": null, - "chi3": null, - "chi1": 51.1753697875509, - "chi4": null, - "chi5": null, - "a1": 120.020294513327, - "L4": 1.51227826419205, - "L5": 1.22004192092702, - "L2": 1.44759166569864, - "L3": 1.577917184826, - "a7": 122.43546479065, - "L1": 1.31357196224238, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.795107924029, - "bs": 22.0, - "a2": 111.434755045855, - "a5": 121.004428197225, - "sidechain_LEU": null, - "chainIndex": 664, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 114.622047108429 - } -}, -{ - "pk": 1633, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.384583279395, - "psi": -32.8214183436412, - "oldID": "452", - "bg": 28.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1723606791817, - "sidechain_PHE": null, - "sidechain_LYS": 115, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1635, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 1631, - "terminal_flag": false, - "phi": -54.4874498032166, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.632962144484, - "chi2": 128.562434109475, - "chi3": 72.970379979349, - "chi1": 34.6871070689295, - "chi4": 160.417160050782, - "chi5": null, - "a1": 117.573786317284, - "L4": 1.53083019540722, - "L5": 1.23999375485808, - "L2": 1.45336268163186, - "L3": 1.51574366876372, - "a7": 123.680617134276, - "L1": 1.323571493072, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 108.582382554287, - "bs": 23.0, - "a2": 110.737818517346, - "a5": 119.934578638336, - "sidechain_LEU": null, - "chainIndex": 451, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.40869332032 - } -}, -{ - "pk": 1634, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.69013492015, - "psi": -125.752318767945, - "oldID": "666", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1636, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 1632, - "terminal_flag": false, - "phi": 61.9833469697222, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.235156374784, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.453781325308, - "L4": 1.51400082748207, - "L5": 1.21430879123269, - "L2": 1.4523128265291, - "L3": null, - "a7": 122.615645486726, - "L1": 1.33137606253711, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.288882838864, - "bs": 0.0, - "a2": null, - "a5": 120.649214996266, - "sidechain_LEU": null, - "chainIndex": 665, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1635, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.263810007377, - "psi": 10.4146233250904, - "oldID": "453", - "bg": 38.98, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5920305648983, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 39, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1637, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 1633, - "terminal_flag": false, - "phi": -69.8350154000862, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.30082644376, - "chi2": 84.6703292834699, - "chi3": 97.7044558877914, - "chi1": -60.3333070200289, - "chi4": null, - "chi5": null, - "a1": 122.398617000113, - "L4": 1.53583874257568, - "L5": 1.23233322547085, - "L2": 1.46764157776493, - "L3": 1.54260432765361, - "a7": 122.712010779732, - "L1": 1.33751022936564, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.285433235745, - "bs": 40.0, - "a2": 112.474223669656, - "a5": 119.98538232199, - "sidechain_LEU": null, - "chainIndex": 452, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.102269138409 - } -}, -{ - "pk": 1636, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 101, - "a6": 116.642633299797, - "psi": 10.0230490129544, - "oldID": "667", - "bg": 38.09, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8910469982883, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1638, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 1634, - "terminal_flag": false, - "phi": -98.6847935641641, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.53580364099, - "chi2": -28.1551276101426, - "chi3": null, - "chi1": 56.0099339154505, - "chi4": null, - "chi5": null, - "a1": 121.220700477015, - "L4": 1.53749586502769, - "L5": 1.23346294230295, - "L2": 1.45431545804095, - "L3": 1.52722565320304, - "a7": 122.130005853573, - "L1": 1.3257765030409, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.199763921755, - "bs": 38.0, - "a2": 108.735901701176, - "a5": 121.225535084517, - "sidechain_LEU": null, - "chainIndex": 666, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.420782715021 - } -}, -{ - "pk": 1637, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.393536011818, - "psi": -5.92875940746072, - "oldID": "454", - "bg": 45.87, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.64642217789, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1639, - "sidechain_SER": 81, - "bm": 37.0, - "xpr": false, - "prev": 1635, - "terminal_flag": false, - "phi": -96.622472982928, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.486771424733, - "chi2": null, - "chi3": null, - "chi1": -66.0735050916471, - "chi4": null, - "chi5": null, - "a1": 122.269290772318, - "L4": 1.53306500329427, - "L5": 1.23160086327123, - "L2": 1.45518741863255, - "L3": 1.54001260049863, - "a7": 123.013082906489, - "L1": 1.33132214616397, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 105.617799046547, - "bs": 44.0, - "a2": 111.944600048591, - "a5": 120.593379976811, - "sidechain_LEU": null, - "chainIndex": 453, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.546286199648 - } -}, -{ - "pk": 1638, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.381992513475, - "psi": 130.626029919422, - "oldID": "668", - "bg": 28.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1606580281549, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 112, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1640, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1636, - "terminal_flag": false, - "phi": -107.087128074026, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.718961489435, - "chi2": null, - "chi3": null, - "chi1": -173.657166776662, - "chi4": null, - "chi5": null, - "a1": 121.488537262658, - "L4": 1.51646674394432, - "L5": 1.2276577545174, - "L2": 1.45822090095113, - "L3": 1.53210997306989, - "a7": 122.880129686064, - "L1": 1.32699183802827, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.305990536797, - "bs": 28.0, - "a2": 110.4544888487, - "a5": 121.737632377357, - "sidechain_LEU": null, - "chainIndex": 667, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.122239822326 - } -}, -{ - "pk": 1639, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.782017955613, - "psi": 88.6593799744729, - "oldID": "455", - "bg": 36.95, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9517070452759, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 40, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1641, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1637, - "terminal_flag": false, - "phi": -136.656336757542, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.173022372575, - "chi2": -175.435908673002, - "chi3": 99.9714402090515, - "chi1": -81.6944966306288, - "chi4": null, - "chi5": null, - "a1": 122.76944494036, - "L4": 1.51602072644887, - "L5": 1.22481817371302, - "L2": 1.45875658829153, - "L3": 1.53309330745322, - "a7": 122.411889658173, - "L1": 1.33510914692643, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.344386298302, - "bs": 35.0, - "a2": 111.564149085058, - "a5": 120.795288126966, - "sidechain_LEU": null, - "chainIndex": 454, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.625321167492 - } -}, -{ - "pk": 1640, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.740945329232, - "psi": 137.519992797283, - "oldID": "669", - "bg": 26.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9925524321324, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1642, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 1638, - "terminal_flag": false, - "phi": -110.505628164412, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.735175995066, - "chi2": -171.472070326168, - "chi3": -41.2604636682394, - "chi1": -57.4943736922711, - "chi4": null, - "chi5": null, - "a1": 121.045624125406, - "L4": 1.52104195427034, - "L5": 1.23982068267105, - "L2": 1.44345587182811, - "L3": 1.53585159020039, - "a7": 123.783592958671, - "L1": 1.3233675886807, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 118, - "omep": null, - "ss": "E", - "a3": 110.591094295221, - "bs": 27.0, - "a2": 110.020694285945, - "a5": 121.458369804937, - "sidechain_LEU": null, - "chainIndex": 668, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.152801606166 - } -}, -{ - "pk": 1641, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.013988639412, - "psi": 152.199795843767, - "oldID": "456", - "bg": 30.7, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1433972654386, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 41, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1643, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1639, - "terminal_flag": false, - "phi": -114.450106293933, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.559044311679, - "chi2": -176.727032034106, - "chi3": -77.7864166240005, - "chi1": -55.9854259772157, - "chi4": null, - "chi5": null, - "a1": 120.082120502958, - "L4": 1.52912924843632, - "L5": 1.2238780301518, - "L2": 1.45497648655519, - "L3": 1.53021460181561, - "a7": 121.827955177701, - "L1": 1.32344152447601, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.032778166977, - "bs": 31.0, - "a2": 108.27333367221, - "a5": 120.086527446172, - "sidechain_LEU": null, - "chainIndex": 455, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.358221479592 - } -}, -{ - "pk": 1642, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.644531242339, - "psi": 142.654437202442, - "oldID": "670", - "bg": 14.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9609883780043, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1645, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1640, - "terminal_flag": false, - "phi": -120.108103896576, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.610605003176, - "chi2": -79.2819588013341, - "chi3": null, - "chi1": -77.6045083053372, - "chi4": null, - "chi5": null, - "a1": 123.10439325963, - "L4": 1.50988065271142, - "L5": 1.2421476133046, - "L2": 1.44673531872945, - "L3": 1.53699649753204, - "a7": 123.38442503134, - "L1": 1.32920155102814, - "sidechain_ARG": null, - "sidechain_TYR": 53, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.019366313774, - "bs": 15.0, - "a2": 109.986088627285, - "a5": 120.96431097514, - "sidechain_LEU": null, - "chainIndex": 669, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.29875814314 - } -}, -{ - "pk": 1643, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.994764765215, - "psi": 140.93152476123, - "oldID": "457", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5639497414386, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1644, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1641, - "terminal_flag": false, - "phi": -80.928597125994, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.427891170393, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.083935577335, - "L4": 1.53096167805634, - "L5": 1.23163416137492, - "L2": 1.46444404763599, - "L3": 1.50148383499265, - "a7": 123.242343390602, - "L1": 1.33090012896309, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.700899306134, - "bs": 25.0, - "a2": 110.085098285729, - "a5": 119.73829809384, - "sidechain_LEU": null, - "chainIndex": 456, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.441532009629 - } -}, -{ - "pk": 1644, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.471382863564, - "psi": 147.155943112472, - "oldID": "458", - "bg": 26.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.6744603668369, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1646, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 1643, - "terminal_flag": false, - "phi": -131.465046446643, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.9327573032, - "chi2": null, - "chi3": null, - "chi1": -63.4665803772716, - "chi4": null, - "chi5": null, - "a1": 123.191347094521, - "L4": 1.51656074223453, - "L5": 1.22143015042676, - "L2": 1.4775570872798, - "L3": 1.53769430706043, - "a7": 123.637698207396, - "L1": 1.33665695345806, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.104218984825, - "bs": 25.0, - "a2": 113.456406654287, - "a5": 119.883339674104, - "sidechain_LEU": null, - "chainIndex": 457, - "sidechain_HIS": 53, - "h_bond_energy": 0.0, - "a4": 103.82346338273 - } -}, -{ - "pk": 1645, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.357203870117, - "psi": 145.724814657534, - "oldID": "671", - "bg": 20.19, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3279328598764, - "sidechain_PHE": null, - "sidechain_LYS": 116, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1647, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1642, - "terminal_flag": false, - "phi": -107.575692618002, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.904340786632, - "chi2": -29.3492271671449, - "chi3": 161.675473387878, - "chi1": -69.1843212061884, - "chi4": 178.676724164762, - "chi5": null, - "a1": 121.951704146282, - "L4": 1.52186482889244, - "L5": 1.22819294134254, - "L2": 1.44549036189395, - "L3": 1.53646798425738, - "a7": 123.220336892468, - "L1": 1.32276023763043, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.268049051364, - "bs": 20.0, - "a2": 110.894487598752, - "a5": 120.401387739583, - "sidechain_LEU": null, - "chainIndex": 670, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.96572665344 - } -}, -{ - "pk": 1646, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.753615019585, - "psi": 141.805952365471, - "oldID": "459", - "bg": 29.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9346429068335, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1648, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 1644, - "terminal_flag": false, - "phi": -77.6754430557202, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.81026206739, - "chi2": 153.527381519612, - "chi3": 58.0462554491078, - "chi1": -71.0132775515002, - "chi4": -134.350399944966, - "chi5": -0.181246137249641, - "a1": 121.961676647711, - "L4": 1.54857863942286, - "L5": 1.23974864519709, - "L2": 1.45413447816206, - "L3": 1.53629382280778, - "a7": 122.692134344742, - "L1": 1.33112520221254, - "sidechain_ARG": 83, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.042343435912, - "bs": 29.0, - "a2": 110.514814934923, - "a5": 121.537447982638, - "sidechain_LEU": null, - "chainIndex": 458, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.539817082578 - } -}, -{ - "pk": 1647, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.108392522998, - "psi": 132.452973743844, - "oldID": "672", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4846309256224, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1649, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1645, - "terminal_flag": false, - "phi": -43.1732111013617, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.562600224694, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.447152060362, - "L4": 1.53163587360428, - "L5": 1.24798600160883, - "L2": 1.44800573343683, - "L3": 1.53705661022454, - "a7": 122.855458360078, - "L1": 1.32565167243846, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 109.990211957301, - "bs": 20.0, - "a2": 109.403648027996, - "a5": 121.034149050549, - "sidechain_LEU": null, - "chainIndex": 671, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.721103873581 - } -}, -{ - "pk": 1648, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.384405885578, - "psi": 137.724444282474, - "oldID": "460", - "bg": 30.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.1085878147627, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 113, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1650, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 1646, - "terminal_flag": false, - "phi": -79.567487118097, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.674730274386, - "chi2": null, - "chi3": null, - "chi1": 169.589624711946, - "chi4": null, - "chi5": null, - "a1": 122.178750559963, - "L4": 1.51996083530559, - "L5": 1.22543120568238, - "L2": 1.45309633047013, - "L3": 1.54955836813095, - "a7": 123.855177973578, - "L1": 1.3264923345879, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.984492307695, - "bs": 30.0, - "a2": 111.234343216382, - "a5": 120.759158285656, - "sidechain_LEU": null, - "chainIndex": 459, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.860480054394 - } -}, -{ - "pk": 1649, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.711282750726, - "psi": -13.6159586240336, - "oldID": "673", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1651, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1647, - "terminal_flag": false, - "phi": 94.8634073017879, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.17696213284, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.911854915941, - "L4": 1.52051112763868, - "L5": 1.23008434246446, - "L2": 1.44476651430381, - "L3": null, - "a7": 122.185855137891, - "L1": 1.32677593218, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.906208886706, - "bs": 0.0, - "a2": null, - "a5": 120.102756688931, - "sidechain_LEU": null, - "chainIndex": 672, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1650, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.24926075161, - "psi": 99.4516960165742, - "oldID": "461", - "bg": 43.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.7204966343917, - "sidechain_PHE": null, - "sidechain_LYS": 117, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1652, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 1648, - "terminal_flag": false, - "phi": -136.093976854862, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.580238785173, - "chi2": -57.7063052288432, - "chi3": -178.085649726663, - "chi1": -143.976633964303, - "chi4": 179.927098471196, - "chi5": null, - "a1": 123.785529696073, - "L4": 1.52448625233584, - "L5": 1.23537613320588, - "L2": 1.46206118250989, - "L3": 1.53123674777836, - "a7": 122.65200265616, - "L1": 1.32640435933312, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 102.209797020912, - "bs": 45.0, - "a2": 111.471089234394, - "a5": 121.059518771796, - "sidechain_LEU": null, - "chainIndex": 460, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.881210707107 - } -}, -{ - "pk": 1651, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.614652961745, - "psi": 141.051485676726, - "oldID": "674", - "bg": 19.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9200856046952, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1653, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1649, - "terminal_flag": false, - "phi": -84.277692524542, - "chainID": "A", - "sidechain_GLN": 60, - "ome": 175.068409430084, - "chi2": -173.480877917393, - "chi3": -35.7852939589785, - "chi1": -72.1778984817313, - "chi4": null, - "chi5": null, - "a1": 119.931851300392, - "L4": 1.51390514003315, - "L5": 1.22274702373815, - "L2": 1.45502461853798, - "L3": 1.52714295609359, - "a7": 123.464061734414, - "L1": 1.32510544797987, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.466666210452, - "bs": 20.0, - "a2": 109.788091753715, - "a5": 119.920192582955, - "sidechain_LEU": null, - "chainIndex": 673, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.664954471735 - } -}, -{ - "pk": 1652, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.755316422289, - "psi": 131.362037038372, - "oldID": "462", - "bg": 35.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2421083080144, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 114, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1654, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 1650, - "terminal_flag": false, - "phi": -73.8229651837073, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.458726188051, - "chi2": null, - "chi3": null, - "chi1": -176.599658881488, - "chi4": null, - "chi5": null, - "a1": 120.789017307501, - "L4": 1.52735084471315, - "L5": 1.22078697177102, - "L2": 1.46087636820752, - "L3": 1.52122312435464, - "a7": 123.431882041492, - "L1": 1.3268897875734, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.530125659413, - "bs": 34.0, - "a2": 110.620590387291, - "a5": 119.78827784461, - "sidechain_LEU": null, - "chainIndex": 461, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.476557182148 - } -}, -{ - "pk": 1653, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.040263548114, - "psi": 141.87835949182, - "oldID": "675", - "bg": 14.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9538762924394, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1655, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1651, - "terminal_flag": false, - "phi": -63.1025767446173, - "chainID": "A", - "sidechain_GLN": 61, - "ome": 178.877549252287, - "chi2": -59.8502691147369, - "chi3": 115.069699848197, - "chi1": -68.0548125090886, - "chi4": null, - "chi5": null, - "a1": 121.409121321176, - "L4": 1.52772508242293, - "L5": 1.22436921238431, - "L2": 1.46490830686989, - "L3": 1.52474355455151, - "a7": 121.329860380546, - "L1": 1.33324992742234, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 111.820669448039, - "bs": 14.0, - "a2": 110.172426687109, - "a5": 120.546815876455, - "sidechain_LEU": null, - "chainIndex": 674, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.520906887215 - } -}, -{ - "pk": 1654, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.762547961882, - "psi": 169.774977417388, - "oldID": "463", - "bg": 38.21, - "sidechain_CYS": null, - "sidechain_ILE": 91, - "protein": "1TWF", - "zeta": 34.8278113785166, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1657, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1652, - "terminal_flag": false, - "phi": -136.912912044387, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.592890733343, - "chi2": 172.757609599228, - "chi3": null, - "chi1": 62.6410839327543, - "chi4": null, - "chi5": null, - "a1": 123.12892548847, - "L4": 1.54263877488379, - "L5": 1.23387135157679, - "L2": 1.46490466882897, - "L3": 1.56956751805425, - "a7": 121.882943547044, - "L1": 1.33380511005403, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.532207843268, - "bs": 37.0, - "a2": 111.175311428784, - "a5": 120.299676388228, - "sidechain_LEU": null, - "chainIndex": 462, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.93586587491 - } -}, -{ - "pk": 1655, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.01200132986, - "psi": 139.708843773367, - "oldID": "676", - "bg": 14.19, - "sidechain_CYS": null, - "sidechain_ILE": 92, - "protein": "1H0H", - "zeta": 33.3337406792481, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1656, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1653, - "terminal_flag": false, - "phi": -82.7851391591676, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.442283268221, - "chi2": -52.7453632519314, - "chi3": null, - "chi1": -51.3077771313029, - "chi4": null, - "chi5": null, - "a1": 118.655226295821, - "L4": 1.52013239118466, - "L5": 1.21915867592308, - "L2": 1.46989507707628, - "L3": 1.55214831615168, - "a7": 122.090477156477, - "L1": 1.3291617128895, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.877657046764, - "bs": 14.0, - "a2": 111.684564054725, - "a5": 119.892773058753, - "sidechain_LEU": null, - "chainIndex": 675, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.003234600932 - } -}, -{ - "pk": 1656, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.375661963739, - "psi": -24.9207967699334, - "oldID": "677", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0996926155729, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1659, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1655, - "terminal_flag": false, - "phi": -81.7861995719225, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.136966316534, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.430932693151, - "L4": 1.52847331290922, - "L5": 1.22838448463423, - "L2": 1.46316641283907, - "L3": 1.54178751814322, - "a7": 122.685159825243, - "L1": 1.33315712520381, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 116.931300085656, - "bs": 15.0, - "a2": 110.615882599542, - "a5": 119.926232264465, - "sidechain_LEU": null, - "chainIndex": 676, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.576409951486 - } -}, -{ - "pk": 1657, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 88, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.422532297643, - "psi": -119.432764659304, - "oldID": "464", - "bg": 41.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.3507159218728, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1658, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 1654, - "terminal_flag": false, - "phi": -61.8566282859269, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.558644741332, - "chi2": -38.5325311441445, - "chi3": 42.92552399194, - "chi1": 18.6926331298488, - "chi4": -32.9243863721938, - "chi5": null, - "a1": 122.772692535645, - "L4": 1.53182975679936, - "L5": 1.22300031310048, - "L2": 1.46828511387852, - "L3": 1.5307459382736, - "a7": 122.905371314409, - "L1": 1.35375132463505, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -16.9663947558991, - "ss": "S", - "a3": 115.455826030528, - "bs": 41.0, - "a2": 103.353434677933, - "a5": 119.66920905219, - "sidechain_LEU": null, - "chainIndex": 463, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.791431388079 - } -}, -{ - "pk": 1658, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.49510226207, - "psi": 150.314039290768, - "oldID": "465", - "bg": 45.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1742378963145, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1660, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 1657, - "terminal_flag": false, - "phi": -18.6629802574027, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.959610377548, - "chi2": -84.5811623632027, - "chi3": null, - "chi1": -33.6989540134122, - "chi4": null, - "chi5": null, - "a1": 123.630674003917, - "L4": 1.52940098991442, - "L5": 1.2416417200211, - "L2": 1.47394536291899, - "L3": 1.53529124541892, - "a7": 123.748876836359, - "L1": 1.3346384063263, - "sidechain_ARG": null, - "sidechain_TYR": 54, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 116.222218374423, - "bs": 46.0, - "a2": 111.046338414103, - "a5": 120.696970245515, - "sidechain_LEU": null, - "chainIndex": 464, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.733438045094 - } -}, -{ - "pk": 1659, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.268678486636, - "psi": 153.9060647868, - "oldID": "678", - "bg": 19.45, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2304585283806, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 81, - "sidechain_TRP": null, - "next": 1661, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1656, - "terminal_flag": false, - "phi": -159.396845685, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.025355422886, - "chi2": null, - "chi3": null, - "chi1": 164.067113988272, - "chi4": null, - "chi5": null, - "a1": 120.973723888043, - "L4": 1.5159836298691, - "L5": 1.23523186898006, - "L2": 1.45798510371483, - "L3": 1.54678299108246, - "a7": 122.078811263933, - "L1": 1.32904635201492, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.734624927827, - "bs": 18.0, - "a2": 110.286953134295, - "a5": 120.652503459013, - "sidechain_LEU": null, - "chainIndex": 677, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.957658081624 - } -}, -{ - "pk": 1660, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 119.415437369028, - "psi": -167.355884525167, - "oldID": "466", - "bg": 34.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9205971503859, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1663, - "sidechain_SER": 82, - "bm": 37.0, - "xpr": false, - "prev": 1658, - "terminal_flag": false, - "phi": -55.67961931911, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.06471854374, - "chi2": null, - "chi3": null, - "chi1": 67.1853464502722, - "chi4": null, - "chi5": null, - "a1": 123.85771966749, - "L4": 1.5616528252183, - "L5": 1.2284032251906, - "L2": 1.46553287247853, - "L3": 1.54545545063532, - "a7": 121.254989761038, - "L1": 1.33391597614888, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.773362592364, - "bs": 35.0, - "a2": 109.134540692439, - "a5": 119.329248911622, - "sidechain_LEU": null, - "chainIndex": 465, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.834713933322 - } -}, -{ - "pk": 1661, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.851973151243, - "psi": -18.727352885797, - "oldID": "679", - "bg": 14.83, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.9838773488041, - "sidechain_PHE": 62, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1662, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1659, - "terminal_flag": false, - "phi": -63.2697541800747, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.571327704077, - "chi2": 75.2839226422884, - "chi3": null, - "chi1": 47.5376541909215, - "chi4": null, - "chi5": null, - "a1": 118.008613935722, - "L4": 1.51404799344754, - "L5": 1.2157149952281, - "L2": 1.45886111837361, - "L3": 1.52380725351256, - "a7": 123.233089881755, - "L1": 1.31686758074521, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.774272974629, - "bs": 15.0, - "a2": 113.324895424893, - "a5": 119.863629015913, - "sidechain_LEU": null, - "chainIndex": 678, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.59942231857 - } -}, -{ - "pk": 1662, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.724515447005, - "psi": -16.0503804015846, - "oldID": "680", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1665, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1661, - "terminal_flag": false, - "phi": -61.5641901097652, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.677996492747, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.738717519799, - "L4": 1.5266532385514, - "L5": 1.21683602274527, - "L2": 1.44906138342905, - "L3": null, - "a7": 122.131184360393, - "L1": 1.32706034220095, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.972198676281, - "bs": 0.0, - "a2": null, - "a5": 120.137789993875, - "sidechain_LEU": null, - "chainIndex": 679, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1663, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.879375470069, - "psi": 129.334646187714, - "oldID": "467", - "bg": 22.09, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.4338341088815, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 82, - "sidechain_TRP": null, - "next": 1664, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1660, - "terminal_flag": false, - "phi": 63.2222245142719, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.882273720375, - "chi2": null, - "chi3": null, - "chi1": 112.04308667638, - "chi4": null, - "chi5": null, - "a1": 123.142324919858, - "L4": 1.54120194966502, - "L5": 1.23466193671363, - "L2": 1.49407612250954, - "L3": 1.58635144059269, - "a7": 123.905896732747, - "L1": 1.33670016013959, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 118.585587061981, - "bs": 23.0, - "a2": 115.541178940099, - "a5": 121.214283534487, - "sidechain_LEU": null, - "chainIndex": 466, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 104.596147172813 - } -}, -{ - "pk": 1664, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.759509696304, - "psi": 138.633798640952, - "oldID": "468", - "bg": 17.94, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.2349535069859, - "sidechain_PHE": 63, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1666, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1663, - "terminal_flag": false, - "phi": -72.6853381846559, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.121903080602, - "chi2": -32.1296896232564, - "chi3": null, - "chi1": -80.8234933133321, - "chi4": null, - "chi5": null, - "a1": 124.649032153758, - "L4": 1.50465570310831, - "L5": 1.23737209596049, - "L2": 1.45168540341921, - "L3": 1.52251212284155, - "a7": 123.858333516141, - "L1": 1.33390071252322, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.538819560755, - "bs": 20.0, - "a2": 109.537752296018, - "a5": 120.38132490859, - "sidechain_LEU": null, - "chainIndex": 467, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.619539479587 - } -}, -{ - "pk": 1665, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.410796773344, - "psi": -5.5285863092559, - "oldID": "681", - "bg": 15.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.2235951879322, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1667, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1662, - "terminal_flag": false, - "phi": -101.079389482608, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.328952064649, - "chi2": null, - "chi3": null, - "chi1": -67.2898749587563, - "chi4": null, - "chi5": null, - "a1": 121.465635574448, - "L4": 1.5290265975925, - "L5": 1.22696560999164, - "L2": 1.46533364787365, - "L3": 1.5216493516876, - "a7": 122.314350857666, - "L1": 1.33110059105735, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 114.167769207304, - "bs": 15.0, - "a2": 109.563627115763, - "a5": 120.204123172317, - "sidechain_LEU": null, - "chainIndex": 680, - "sidechain_HIS": 54, - "h_bond_energy": 0.0, - "a4": 107.085452812147 - } -}, -{ - "pk": 1666, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.279340816712, - "psi": 148.731728712341, - "oldID": "469", - "bg": 26.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2654350997045, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1668, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 1664, - "terminal_flag": false, - "phi": -113.69484573649, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.765876591333, - "chi2": -146.698566178108, - "chi3": 145.108224590557, - "chi1": -57.5998608117825, - "chi4": -130.965721253407, - "chi5": -1.32714583733885, - "a1": 121.910313444088, - "L4": 1.51620017607992, - "L5": 1.22493115254033, - "L2": 1.45902030680771, - "L3": 1.52537510510528, - "a7": 124.275565214199, - "L1": 1.32480089304826, - "sidechain_ARG": 84, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.291666977309, - "bs": 27.0, - "a2": 111.477986703652, - "a5": 120.442533779309, - "sidechain_LEU": null, - "chainIndex": 468, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.147721397378 - } -}, -{ - "pk": 1667, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.710058491406, - "psi": 155.020046834517, - "oldID": "682", - "bg": 15.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7000272954008, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1669, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1665, - "terminal_flag": false, - "phi": -60.8206676019797, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.506819254629, - "chi2": 176.137678880793, - "chi3": null, - "chi1": -67.1172432975594, - "chi4": null, - "chi5": null, - "a1": 120.830505116132, - "L4": 1.53307927221885, - "L5": 1.23105013803979, - "L2": 1.47292637648212, - "L3": 1.52850278221033, - "a7": 122.182565075789, - "L1": 1.32790640646054, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.703425540834, - "bs": 14.0, - "a2": 110.570192254862, - "a5": 121.106470678949, - "sidechain_LEU": 134, - "chainIndex": 681, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.33582345174 - } -}, -{ - "pk": 1668, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.716491186736, - "psi": 158.27673688633, - "oldID": "470", - "bg": 19.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.802020006228, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1670, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1666, - "terminal_flag": false, - "phi": -140.715980199834, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.886440470417, - "chi2": 164.959817087127, - "chi3": null, - "chi1": -57.7223288317925, - "chi4": null, - "chi5": null, - "a1": 124.424600511162, - "L4": 1.53569332423951, - "L5": 1.22546861627737, - "L2": 1.47313293037745, - "L3": 1.53146970329057, - "a7": 123.729463253663, - "L1": 1.33344123450679, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.019950692922, - "bs": 19.0, - "a2": 111.137091249991, - "a5": 121.549635761005, - "sidechain_LEU": 135, - "chainIndex": 469, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.40059858096 - } -}, -{ - "pk": 1669, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.176503171077, - "psi": 138.687635630214, - "oldID": "683", - "bg": 15.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5088891689484, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1671, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1667, - "terminal_flag": false, - "phi": -119.518738469253, - "chainID": "A", - "sidechain_GLN": 62, - "ome": 179.124731476739, - "chi2": -72.9052600560972, - "chi3": -65.8682050063578, - "chi1": -58.2646585550895, - "chi4": null, - "chi5": null, - "a1": 119.783821028518, - "L4": 1.50240158784895, - "L5": 1.23879288179267, - "L2": 1.44841138865368, - "L3": 1.52569568374779, - "a7": 124.216071521898, - "L1": 1.33052078276031, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.767164420993, - "bs": 16.0, - "a2": 109.506988162869, - "a5": 121.529664659938, - "sidechain_LEU": null, - "chainIndex": 682, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.53646559844 - } -}, -{ - "pk": 1670, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 71, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.39560357052, - "psi": 138.066134561482, - "oldID": "471", - "bg": 17.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.5542290522939, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1672, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1668, - "terminal_flag": false, - "phi": -76.43228025782, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.176207305867, - "chi2": -75.2274579570218, - "chi3": null, - "chi1": 166.611565714892, - "chi4": null, - "chi5": null, - "a1": 126.105556227436, - "L4": 1.51210905790684, - "L5": 1.25269615453431, - "L2": 1.46640832203914, - "L3": 1.53138096109035, - "a7": 122.68629551132, - "L1": 1.33581333839238, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 103.591891603532, - "bs": 17.0, - "a2": 109.619981871627, - "a5": 120.898634565723, - "sidechain_LEU": null, - "chainIndex": 470, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.830852862089 - } -}, -{ - "pk": 1671, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.561511784953, - "psi": -17.1381355532759, - "oldID": "684", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5407268263038, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1673, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1669, - "terminal_flag": false, - "phi": -77.9467175492483, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.084152113794, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.306485309869, - "L4": 1.53932382226901, - "L5": 1.24379320886085, - "L2": 1.44508187900295, - "L3": 1.52128928270659, - "a7": 122.185668952404, - "L1": 1.31826692453771, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.583804828058, - "bs": 18.0, - "a2": 108.661646645546, - "a5": 120.246683431896, - "sidechain_LEU": null, - "chainIndex": 683, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.845824709996 - } -}, -{ - "pk": 1672, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.46158338598, - "psi": -30.7526984723995, - "oldID": "472", - "bg": 19.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.1583545073351, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1674, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1670, - "terminal_flag": false, - "phi": -53.9378347389979, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.677510180674, - "chi2": 117.05503857584, - "chi3": null, - "chi1": -93.2564677000424, - "chi4": null, - "chi5": null, - "a1": 118.806786154035, - "L4": 1.51804171101467, - "L5": 1.22645509841142, - "L2": 1.47079308145446, - "L3": 1.54001115977092, - "a7": 121.895437568877, - "L1": 1.32574012716595, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 117.130481332105, - "bs": 15.0, - "a2": 110.930327331343, - "a5": 119.590170617417, - "sidechain_LEU": 136, - "chainIndex": 471, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.097848803013 - } -}, -{ - "pk": 1673, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 102, - "a6": 117.620919570369, - "psi": 6.23125616341032, - "oldID": "685", - "bg": 18.81, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.05724101448, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1675, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1671, - "terminal_flag": false, - "phi": -91.3220271653604, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.731317112741, - "chi2": -4.55707477162809, - "chi3": null, - "chi1": 69.8087723660501, - "chi4": null, - "chi5": null, - "a1": 120.191100942986, - "L4": 1.52802401534019, - "L5": 1.22507158745905, - "L2": 1.48034664367503, - "L3": 1.54520299126778, - "a7": 121.766462022488, - "L1": 1.33594634491175, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 115.456097469876, - "bs": 18.0, - "a2": 111.069352155211, - "a5": 120.606931729615, - "sidechain_LEU": null, - "chainIndex": 684, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.484257520668 - } -}, -{ - "pk": 1674, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.236650010428, - "psi": 9.83915560667868, - "oldID": "473", - "bg": 16.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.5188019420504, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1676, - "sidechain_SER": 83, - "bm": 20.0, - "xpr": false, - "prev": 1672, - "terminal_flag": false, - "phi": -81.455176203366, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.926994726898, - "chi2": null, - "chi3": null, - "chi1": -90.6600411001817, - "chi4": null, - "chi5": null, - "a1": 119.009261287035, - "L4": 1.53589288971027, - "L5": 1.22797876707154, - "L2": 1.46976244605813, - "L3": 1.53506846984006, - "a7": 122.433977794939, - "L1": 1.33009862236847, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 117.432976753849, - "bs": 18.0, - "a2": 109.42608694861, - "a5": 119.327650370953, - "sidechain_LEU": null, - "chainIndex": 472, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.731424104698 - } -}, -{ - "pk": 1675, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.346451916025, - "psi": 1.82053635322271, - "oldID": "686", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1677, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1673, - "terminal_flag": false, - "phi": 95.2824389465254, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.078517796995, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.919561933436, - "L4": 1.52295335157118, - "L5": 1.23488098448331, - "L2": 1.45068906319843, - "L3": null, - "a7": 123.185424475063, - "L1": 1.32811748563713, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 115.522612252256, - "bs": 0.0, - "a2": null, - "a5": 120.452202087189, - "sidechain_LEU": null, - "chainIndex": 685, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1676, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 112.774810443818, - "psi": -1.99226099254653, - "oldID": "474", - "bg": 20.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9792501956028, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 115, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1678, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 1674, - "terminal_flag": false, - "phi": -106.294043326528, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.417424416123, - "chi2": null, - "chi3": null, - "chi1": 94.3836937047994, - "chi4": null, - "chi5": null, - "a1": 120.620741954983, - "L4": 1.53191967167423, - "L5": 1.23286812201928, - "L2": 1.46936131922034, - "L3": 1.53787027874138, - "a7": 124.400217716164, - "L1": 1.33276416246951, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 106.889181000301, - "bs": 21.0, - "a2": 110.938355957167, - "a5": 122.818008797028, - "sidechain_LEU": null, - "chainIndex": 473, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.59535430743 - } -}, -{ - "pk": 1677, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.138462775934, - "psi": -15.7097127212907, - "oldID": "687", - "bg": 19.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4149691006042, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1679, - "sidechain_SER": 84, - "bm": 16.0, - "xpr": false, - "prev": 1675, - "terminal_flag": false, - "phi": -71.0060978086586, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.119769414472, - "chi2": null, - "chi3": null, - "chi1": -80.1978327681465, - "chi4": null, - "chi5": null, - "a1": 122.991560630423, - "L4": 1.52230779938921, - "L5": 1.24678552406155, - "L2": 1.45597704437986, - "L3": 1.53002033514371, - "a7": 123.140254450864, - "L1": 1.32360586408191, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.988628071144, - "bs": 18.0, - "a2": 108.934519943467, - "a5": 119.672336813432, - "sidechain_LEU": null, - "chainIndex": 686, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.446169763647 - } -}, -{ - "pk": 1678, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.060074367777, - "psi": -46.7796578342567, - "oldID": "475", - "bg": 26.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.605021154855, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 83, - "sidechain_TRP": null, - "next": 1680, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1676, - "terminal_flag": false, - "phi": -61.9762966505048, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.613699099925, - "chi2": null, - "chi3": null, - "chi1": -107.487412374457, - "chi4": null, - "chi5": null, - "a1": 126.27472190371, - "L4": 1.53745600176143, - "L5": 1.22776786417268, - "L2": 1.43485012809486, - "L3": 1.55553801074836, - "a7": 121.779547129836, - "L1": 1.32206872451582, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.533048174918, - "bs": 24.0, - "a2": 105.830941999274, - "a5": 121.100415374563, - "sidechain_LEU": null, - "chainIndex": 474, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.704039545314 - } -}, -{ - "pk": 1679, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.398783875843, - "psi": 147.155727415883, - "oldID": "688", - "bg": 16.02, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9008923874625, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 84, - "sidechain_TRP": null, - "next": 1681, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1677, - "terminal_flag": false, - "phi": -131.627617714355, - "chainID": "A", - "sidechain_GLN": null, - "ome": 165.726734615824, - "chi2": null, - "chi3": null, - "chi1": 55.2220701223876, - "chi4": null, - "chi5": null, - "a1": 120.825642098428, - "L4": 1.52782053548831, - "L5": 1.23930005013293, - "L2": 1.46255156032714, - "L3": 1.55844632928205, - "a7": 122.84365278801, - "L1": 1.33524148691306, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 115.136992587899, - "bs": 15.0, - "a2": 112.521311107031, - "a5": 121.751172668154, - "sidechain_LEU": null, - "chainIndex": 687, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.952224449251 - } -}, -{ - "pk": 1680, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.126493507859, - "psi": -45.2568420489919, - "oldID": "476", - "bg": 34.55, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.716406503765, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1682, - "sidechain_SER": 85, - "bm": 26.0, - "xpr": false, - "prev": 1678, - "terminal_flag": false, - "phi": -62.493745568692, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.734866215505, - "chi2": null, - "chi3": null, - "chi1": 176.223020426184, - "chi4": null, - "chi5": null, - "a1": 120.586125567347, - "L4": 1.5528507058633, - "L5": 1.2360642667705, - "L2": 1.44911759920026, - "L3": 1.51488448007991, - "a7": 121.422114201784, - "L1": 1.32315918994906, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 117.504888863305, - "bs": 31.0, - "a2": 108.313522686998, - "a5": 120.433916391093, - "sidechain_LEU": null, - "chainIndex": 475, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.425840817403 - } -}, -{ - "pk": 1681, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.83092432696, - "psi": 167.929870160229, - "oldID": "689", - "bg": 14.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.739631057742, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 85, - "sidechain_TRP": null, - "next": 1683, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1679, - "terminal_flag": false, - "phi": -94.3430244931532, - "chainID": "A", - "sidechain_GLN": null, - "ome": 167.008140685746, - "chi2": null, - "chi3": null, - "chi1": 61.9687344482279, - "chi4": null, - "chi5": null, - "a1": 119.608252240072, - "L4": 1.53728477752943, - "L5": 1.22793862327511, - "L2": 1.45200721522069, - "L3": 1.54786001223092, - "a7": 124.026654982888, - "L1": 1.32794483097246, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 105.72051363216, - "bs": 14.0, - "a2": 112.170367414761, - "a5": 121.081737849753, - "sidechain_LEU": null, - "chainIndex": 688, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.61883264018 - } -}, -{ - "pk": 1682, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 89, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.564662178036, - "psi": -33.4130575780284, - "oldID": "477", - "bg": 33.29, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.9824341230584, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1684, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1680, - "terminal_flag": false, - "phi": -66.2609605890642, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.997004210102, - "chi2": -39.8635594104193, - "chi3": 38.9286682334095, - "chi1": 24.8796432228186, - "chi4": -23.5908448124571, - "chi5": null, - "a1": 120.43939349503, - "L4": 1.5220011823507, - "L5": 1.23422063775462, - "L2": 1.46656983783156, - "L3": 1.5320506499873, - "a7": 123.040626036003, - "L1": 1.34559795382567, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -9.28509095508348, - "ss": "H", - "a3": 112.11272065654, - "bs": 31.0, - "a2": 103.522358886932, - "a5": 121.363051599884, - "sidechain_LEU": null, - "chainIndex": 476, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.692989790197 - } -}, -{ - "pk": 1683, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.312215619693, - "psi": 109.497983739881, - "oldID": "690", - "bg": 16.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6088954543337, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1685, - "sidechain_SER": 86, - "bm": 14.0, - "xpr": false, - "prev": 1681, - "terminal_flag": false, - "phi": 177.978713756149, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.406994459267, - "chi2": null, - "chi3": null, - "chi1": 169.665094142445, - "chi4": null, - "chi5": null, - "a1": 126.308596210571, - "L4": 1.49776909651676, - "L5": 1.23222170002807, - "L2": 1.47667158835691, - "L3": 1.50979035015076, - "a7": 123.376278254186, - "L1": 1.32291595917558, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 105.086810038743, - "bs": 15.0, - "a2": 114.948870684639, - "a5": 120.246187041735, - "sidechain_LEU": null, - "chainIndex": 689, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.544055564425 - } -}, -{ - "pk": 1684, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.078303594107, - "psi": -13.2584060088095, - "oldID": "478", - "bg": 17.98, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0817221320635, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1686, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1682, - "terminal_flag": false, - "phi": -83.8488862752915, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.63693778752, - "chi2": -48.2718931699047, - "chi3": null, - "chi1": -78.4486551674884, - "chi4": null, - "chi5": null, - "a1": 120.986193740179, - "L4": 1.50334241023519, - "L5": 1.23428364019926, - "L2": 1.44629951192921, - "L3": 1.51735221490473, - "a7": 123.636436501385, - "L1": 1.32694197385077, - "sidechain_ARG": null, - "sidechain_TYR": 55, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.089486260517, - "bs": 18.0, - "a2": 110.087076970721, - "a5": 121.277044096203, - "sidechain_LEU": null, - "chainIndex": 477, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.80318846872 - } -}, -{ - "pk": 1685, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.873851129222, - "psi": -31.2165831928835, - "oldID": "691", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1687, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1683, - "terminal_flag": false, - "phi": -62.4320258783063, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.08297806438, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.840421889139, - "L4": 1.51283900591538, - "L5": 1.22750529995384, - "L2": 1.44729095728429, - "L3": null, - "a7": 122.933816269091, - "L1": 1.33024391040885, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.307309875756, - "bs": 0.0, - "a2": null, - "a5": 120.146897632915, - "sidechain_LEU": null, - "chainIndex": 690, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1686, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 72, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.636983394095, - "psi": 48.4308259733945, - "oldID": "479", - "bg": 35.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8806791889181, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1688, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1684, - "terminal_flag": false, - "phi": 55.5087889037889, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.574180191461, - "chi2": -141.419859744989, - "chi3": null, - "chi1": 176.663745572129, - "chi4": null, - "chi5": null, - "a1": 120.94061628172, - "L4": 1.53326401434897, - "L5": 1.24330693281609, - "L2": 1.4535459298698, - "L3": 1.51832185455954, - "a7": 122.416312670919, - "L1": 1.3261329958192, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.930263333206, - "bs": 35.0, - "a2": 110.208875209293, - "a5": 121.931816529497, - "sidechain_LEU": null, - "chainIndex": 478, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.241123700994 - } -}, -{ - "pk": 1687, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.05165251252, - "psi": 104.594090219522, - "oldID": "692", - "bg": 16.47, - "sidechain_CYS": 29, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7147895034413, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1689, - "sidechain_SER": null, - "bm": 12.0, - "xpr": false, - "prev": 1685, - "terminal_flag": false, - "phi": -152.203841707236, - "chainID": "A", - "sidechain_GLN": null, - "ome": -168.59276195227, - "chi2": null, - "chi3": null, - "chi1": -175.403759913499, - "chi4": null, - "chi5": null, - "a1": 120.834664164148, - "L4": 1.51200272363151, - "L5": 1.22189353269024, - "L2": 1.46174638744972, - "L3": 1.52012377472157, - "a7": 123.17189587915, - "L1": 1.33218771282728, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 107.652131822708, - "bs": 15.0, - "a2": 109.985845491368, - "a5": 119.774752574085, - "sidechain_LEU": null, - "chainIndex": 691, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.717024950231 - } -}, -{ - "pk": 1688, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.922529871875, - "psi": 166.372281167374, - "oldID": "480", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2782802785541, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1690, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 1686, - "terminal_flag": false, - "phi": -129.324127406706, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.951504011773, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.861488389402, - "L4": 1.51085829945521, - "L5": 1.2263125301147, - "L2": 1.4543691455069, - "L3": 1.53894106124035, - "a7": 123.955300188189, - "L1": 1.32514299552731, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.118550304009, - "bs": 30.0, - "a2": 110.477015520346, - "a5": 121.048954822721, - "sidechain_LEU": null, - "chainIndex": 479, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.142556332577 - } -}, -{ - "pk": 1689, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.173023290887, - "psi": -28.1524608297716, - "oldID": "693", - "bg": 13.94, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1801890147726, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 27, - "next": 1691, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1687, - "terminal_flag": false, - "phi": -60.0933261295173, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.884542349978, - "chi2": -85.8198820004461, - "chi3": null, - "chi1": 70.3933969686135, - "chi4": null, - "chi5": null, - "a1": 120.794013001043, - "L4": 1.53197803178121, - "L5": 1.23158079149269, - "L2": 1.47263203507708, - "L3": 1.52628955866826, - "a7": 122.074078257724, - "L1": 1.33721348655601, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 115.681449499, - "bs": 14.0, - "a2": 109.985825609576, - "a5": 120.748590225681, - "sidechain_LEU": null, - "chainIndex": 692, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.174666342746 - } -}, -{ - "pk": 1690, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 103, - "a6": 117.487683952518, - "psi": -175.139280658868, - "oldID": "481", - "bg": 22.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.4141600504345, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1692, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 1688, - "terminal_flag": false, - "phi": -145.197599509723, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.224900962192, - "chi2": 16.6862056221036, - "chi3": null, - "chi1": 57.4363164606641, - "chi4": null, - "chi5": null, - "a1": 123.633339842213, - "L4": 1.54969714244035, - "L5": 1.23772235946182, - "L2": 1.46646304990078, - "L3": 1.53488434058832, - "a7": 121.565951034708, - "L1": 1.32434878485139, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 103.481376929707, - "bs": 23.0, - "a2": 111.795405878049, - "a5": 120.8762611548, - "sidechain_LEU": null, - "chainIndex": 480, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.003498009039 - } -}, -{ - "pk": 1691, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.147735672742, - "psi": -16.3634246853601, - "oldID": "694", - "bg": 14.67, - "sidechain_CYS": null, - "sidechain_ILE": 93, - "protein": "1H0H", - "zeta": 30.9731873089289, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1693, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 1689, - "terminal_flag": false, - "phi": -65.3037429474656, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.824412415945, - "chi2": -176.72143358795, - "chi3": null, - "chi1": 72.4980844576523, - "chi4": null, - "chi5": null, - "a1": 119.277991962459, - "L4": 1.52939225357619, - "L5": 1.22967366134599, - "L2": 1.46103651863468, - "L3": 1.54623294861867, - "a7": 123.341369313885, - "L1": 1.31984304454598, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 113.142653173467, - "bs": 14.0, - "a2": 112.668115037732, - "a5": 120.510811526319, - "sidechain_LEU": null, - "chainIndex": 693, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.573953105047 - } -}, -{ - "pk": 1692, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.727132033083, - "psi": 45.7710083226424, - "oldID": "482", - "bg": 24.11, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9314655177996, - "sidechain_PHE": 64, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1694, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1690, - "terminal_flag": false, - "phi": -113.107061061061, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.210125641894, - "chi2": -71.7237499642956, - "chi3": null, - "chi1": -41.636807238263, - "chi4": null, - "chi5": null, - "a1": 119.300863816532, - "L4": 1.52731804987778, - "L5": 1.23669028799242, - "L2": 1.45096342895423, - "L3": 1.523145094535, - "a7": 122.422366655686, - "L1": 1.32467703178055, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 121.521851780577, - "bs": 23.0, - "a2": 106.567873853781, - "a5": 120.81412075568, - "sidechain_LEU": null, - "chainIndex": 481, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.519725550664 - } -}, -{ - "pk": 1693, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.13680525674, - "psi": 0.24628874829944, - "oldID": "695", - "bg": 13.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8858746252967, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1695, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1691, - "terminal_flag": false, - "phi": -95.3467777314377, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.745985038817, - "chi2": -87.1657134643659, - "chi3": null, - "chi1": -77.3233841673177, - "chi4": null, - "chi5": null, - "a1": 121.704719121141, - "L4": 1.53458998696896, - "L5": 1.23160945303055, - "L2": 1.45521219567306, - "L3": 1.53004988533618, - "a7": 122.359875261954, - "L1": 1.32937638616515, - "sidechain_ARG": null, - "sidechain_TYR": 56, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 113.294156751855, - "bs": 14.0, - "a2": 111.081216042897, - "a5": 120.489291164456, - "sidechain_LEU": null, - "chainIndex": 694, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.781900962964 - } -}, -{ - "pk": 1694, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 104, - "a6": 115.78653443209, - "psi": 32.5982234758536, - "oldID": "483", - "bg": 34.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5957509617476, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1696, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1692, - "terminal_flag": false, - "phi": -113.076043606123, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.93795583914, - "chi2": 35.9445038044944, - "chi3": null, - "chi1": 53.3035093129212, - "chi4": null, - "chi5": null, - "a1": 120.892208551659, - "L4": 1.52693647069556, - "L5": 1.23623508863599, - "L2": 1.45489450417115, - "L3": 1.52417892025463, - "a7": 123.220076138975, - "L1": 1.32702904758993, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 113.672335210842, - "bs": 33.0, - "a2": 108.905524484799, - "a5": 120.993176607024, - "sidechain_LEU": null, - "chainIndex": 482, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.216285968395 - } -}, -{ - "pk": 1695, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.088028679719, - "psi": 117.849398302075, - "oldID": "696", - "bg": 14.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4201695978331, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 86, - "sidechain_TRP": null, - "next": 1697, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1693, - "terminal_flag": false, - "phi": -70.8380277258026, - "chainID": "A", - "sidechain_GLN": null, - "ome": -170.943027417183, - "chi2": null, - "chi3": null, - "chi1": -55.422766281799, - "chi4": null, - "chi5": null, - "a1": 119.993900705283, - "L4": 1.52521322467066, - "L5": 1.22753883191762, - "L2": 1.4531530716467, - "L3": 1.54395425333489, - "a7": 123.324191814552, - "L1": 1.32772280209004, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 107.656928233905, - "bs": 14.0, - "a2": 111.308669131546, - "a5": 120.585067605518, - "sidechain_LEU": null, - "chainIndex": 695, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.11751309191 - } -}, -{ - "pk": 1696, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.916182531468, - "psi": -18.3222000108601, - "oldID": "484", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1698, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1694, - "terminal_flag": false, - "phi": 131.767757733325, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.148759657666, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.005503512634, - "L4": 1.51327591503755, - "L5": 1.23508254202831, - "L2": 1.4455260140932, - "L3": null, - "a7": 123.201635571414, - "L1": 1.33085481620651, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.909142569525, - "bs": 0.0, - "a2": null, - "a5": 118.882169673295, - "sidechain_LEU": null, - "chainIndex": 483, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1697, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.78010823085, - "psi": -12.8237499875431, - "oldID": "697", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1699, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1695, - "terminal_flag": false, - "phi": 119.635110983422, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.877442756128, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.217651660791, - "L4": 1.52805115752974, - "L5": 1.22028889449619, - "L2": 1.44877913984616, - "L3": null, - "a7": 122.08375224739, - "L1": 1.3229168473, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 109.568676418101, - "bs": 0.0, - "a2": null, - "a5": 120.094060819007, - "sidechain_LEU": null, - "chainIndex": 696, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1698, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 105, - "a6": 115.617160453348, - "psi": 149.66636426857, - "oldID": "485", - "bg": 29.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5371201084666, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1700, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 1696, - "terminal_flag": false, - "phi": -50.1488759935106, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.347962716423, - "chi2": 35.2949580821684, - "chi3": null, - "chi1": -59.1795183581575, - "chi4": null, - "chi5": null, - "a1": 121.388794641152, - "L4": 1.51385203888067, - "L5": 1.21673592810706, - "L2": 1.48093416690961, - "L3": 1.54331117209869, - "a7": 122.978766934259, - "L1": 1.34078402148973, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.857209377572, - "bs": 27.0, - "a2": 113.133166577799, - "a5": 121.375441034407, - "sidechain_LEU": null, - "chainIndex": 484, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.050931253149 - } -}, -{ - "pk": 1699, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.111094339352, - "psi": -29.374823886345, - "oldID": "698", - "bg": 14.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6430028456274, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1702, - "sidechain_SER": 87, - "bm": 15.0, - "xpr": false, - "prev": 1697, - "terminal_flag": false, - "phi": -78.1451976126284, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.632499941596, - "chi2": null, - "chi3": null, - "chi1": 64.1453411698447, - "chi4": null, - "chi5": null, - "a1": 122.146142592296, - "L4": 1.53566288127482, - "L5": 1.22376964765457, - "L2": 1.46077732230195, - "L3": 1.5575821883828, - "a7": 122.903655570158, - "L1": 1.33445702754201, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.643619110654, - "bs": 14.0, - "a2": 111.353239098605, - "a5": 119.943310492179, - "sidechain_LEU": null, - "chainIndex": 697, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.935075495976 - } -}, -{ - "pk": 1700, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.368453429417, - "psi": 133.223013428467, - "oldID": "486", - "bg": 36.95, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.895688326745, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1701, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1698, - "terminal_flag": false, - "phi": -133.349501289521, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.150635497417, - "chi2": -174.164285235597, - "chi3": -82.3101666568608, - "chi1": -76.1721122365102, - "chi4": null, - "chi5": null, - "a1": 122.289230311505, - "L4": 1.5311851561148, - "L5": 1.23245494845098, - "L2": 1.4597013475963, - "L3": 1.53863958390841, - "a7": 122.23408063325, - "L1": 1.32547552700317, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 119, - "omep": null, - "ss": "E", - "a3": 110.032795633641, - "bs": 38.0, - "a2": 110.068597754223, - "a5": 120.371200148442, - "sidechain_LEU": null, - "chainIndex": 485, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.840578673309 - } -}, -{ - "pk": 1701, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.560711865526, - "psi": 168.675841419178, - "oldID": "487", - "bg": 32.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.7400909766134, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 42, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1703, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1700, - "terminal_flag": false, - "phi": -118.555857850572, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.274614905557, - "chi2": 178.194191989933, - "chi3": 164.554348468934, - "chi1": -56.4969675158339, - "chi4": null, - "chi5": null, - "a1": 120.907727869785, - "L4": 1.53822418101574, - "L5": 1.23183807151265, - "L2": 1.46636545944812, - "L3": 1.54248500712098, - "a7": 123.107410209886, - "L1": 1.33040506366816, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.606927272067, - "bs": 33.0, - "a2": 112.261549367836, - "a5": 122.316717807816, - "sidechain_LEU": null, - "chainIndex": 486, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.385863858553 - } -}, -{ - "pk": 1702, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.095407074242, - "psi": 89.3608690564255, - "oldID": "699", - "bg": 15.88, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.372018540814, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1704, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1699, - "terminal_flag": false, - "phi": -149.52472024013, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.977479622246, - "chi2": -46.8309226113132, - "chi3": null, - "chi1": -150.894356177979, - "chi4": null, - "chi5": null, - "a1": 122.174743270113, - "L4": 1.51642799927183, - "L5": 1.23601200962093, - "L2": 1.45555838187135, - "L3": 1.52884480746537, - "a7": 123.029973040573, - "L1": 1.33005529750659, - "sidechain_ARG": null, - "sidechain_TYR": 57, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.516826589854, - "bs": 17.0, - "a2": 109.760041603743, - "a5": 121.833015314874, - "sidechain_LEU": null, - "chainIndex": 698, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.583913033263 - } -}, -{ - "pk": 1703, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 73, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.977130030921, - "psi": 141.214503239195, - "oldID": "488", - "bg": 25.03, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6458068191949, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1705, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 1701, - "terminal_flag": false, - "phi": -111.717773946367, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.752129948571, - "chi2": -32.774913440177, - "chi3": null, - "chi1": -56.4679138543737, - "chi4": null, - "chi5": null, - "a1": 122.932765321289, - "L4": 1.52232386793047, - "L5": 1.23978359894177, - "L2": 1.45251846385609, - "L3": 1.52780942677369, - "a7": 122.826745909493, - "L1": 1.32541371577285, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.62926277522, - "bs": 25.0, - "a2": 109.963905748884, - "a5": 122.196099246397, - "sidechain_LEU": null, - "chainIndex": 487, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.802000272168 - } -}, -{ - "pk": 1704, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.366535129109, - "psi": -167.172631631541, - "oldID": "700", - "bg": 16.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.9679471584531, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 87, - "sidechain_TRP": null, - "next": 1706, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1702, - "terminal_flag": false, - "phi": -110.866998541287, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.929127648766, - "chi2": null, - "chi3": null, - "chi1": 65.7633613188224, - "chi4": null, - "chi5": null, - "a1": 121.196212957251, - "L4": 1.5058119868622, - "L5": 1.23445101546168, - "L2": 1.45030095834759, - "L3": 1.52672617215786, - "a7": 123.275367501642, - "L1": 1.3159996182839, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.130926401673, - "bs": 15.0, - "a2": 108.156782488887, - "a5": 121.315932371738, - "sidechain_LEU": null, - "chainIndex": 699, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.460399557027 - } -}, -{ - "pk": 1705, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.858880835223, - "psi": 131.006851904051, - "oldID": "489", - "bg": 29.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4357601486424, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1707, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 1703, - "terminal_flag": false, - "phi": -118.426055193688, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.018385390049, - "chi2": 166.308370841611, - "chi3": null, - "chi1": -179.814028579743, - "chi4": null, - "chi5": null, - "a1": 121.286923334815, - "L4": 1.52921216170757, - "L5": 1.22099131273447, - "L2": 1.44220424767259, - "L3": 1.52626022016605, - "a7": 123.125709714416, - "L1": 1.32117561717669, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.402726452693, - "bs": 28.0, - "a2": 109.288620287525, - "a5": 120.005296633387, - "sidechain_LEU": 137, - "chainIndex": 488, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.563043670996 - } -}, -{ - "pk": 1706, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.53459431332, - "psi": -20.0733573231096, - "oldID": "701", - "bg": 20.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.437687077464, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1708, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1704, - "terminal_flag": false, - "phi": -62.0164260013146, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.176100680913, - "chi2": -66.8880911183152, - "chi3": -64.2036734377435, - "chi1": -70.1139000505602, - "chi4": null, - "chi5": null, - "a1": 120.798379437621, - "L4": 1.52545476450861, - "L5": 1.22747916374811, - "L2": 1.44696162842955, - "L3": 1.5308675847131, - "a7": 123.344262390925, - "L1": 1.3220225307333, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 120, - "omep": null, - "ss": "T", - "a3": 110.999588025946, - "bs": 22.0, - "a2": 110.736445490653, - "a5": 119.096160499902, - "sidechain_LEU": null, - "chainIndex": 700, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.976467853733 - } -}, -{ - "pk": 1707, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.969766531172, - "psi": 130.85099161307, - "oldID": "490", - "bg": 31.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.5793218899824, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1709, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 1705, - "terminal_flag": false, - "phi": -120.547577013983, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.306138270919, - "chi2": null, - "chi3": null, - "chi1": -64.8349388731055, - "chi4": null, - "chi5": null, - "a1": 122.954410434091, - "L4": 1.52310147756763, - "L5": 1.24207033967704, - "L2": 1.4658520873282, - "L3": 1.52994189636007, - "a7": 122.767769071154, - "L1": 1.33515963910939, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.860426507248, - "bs": 29.0, - "a2": 110.208232937823, - "a5": 121.241687188926, - "sidechain_LEU": null, - "chainIndex": 489, - "sidechain_HIS": 55, - "h_bond_energy": 0.0, - "a4": 108.370577293649 - } -}, -{ - "pk": 1708, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.254586674675, - "psi": 2.2389730007708, - "oldID": "702", - "bg": 21.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5401608068276, - "sidechain_PHE": null, - "sidechain_LYS": 118, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1710, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1706, - "terminal_flag": false, - "phi": -91.1587109029351, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.474462190922, - "chi2": -67.6807602463612, - "chi3": -138.735811438848, - "chi1": -54.5219536659943, - "chi4": -52.515517084339, - "chi5": null, - "a1": 121.974912739605, - "L4": 1.53905681825641, - "L5": 1.23621977604701, - "L2": 1.46711801401944, - "L3": 1.53276825504902, - "a7": 122.543204347895, - "L1": 1.33819477506716, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.327683786983, - "bs": 23.0, - "a2": 112.268068808367, - "a5": 121.200527221236, - "sidechain_LEU": null, - "chainIndex": 701, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.019942829874 - } -}, -{ - "pk": 1709, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.988598224564, - "psi": 107.737158860432, - "oldID": "491", - "bg": 25.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4649302560606, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 116, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1711, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1707, - "terminal_flag": false, - "phi": -99.4760465537881, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.922013424572, - "chi2": null, - "chi3": null, - "chi1": -171.924196268374, - "chi4": null, - "chi5": null, - "a1": 119.856333745933, - "L4": 1.52912307980409, - "L5": 1.21705048215091, - "L2": 1.45581178863624, - "L3": 1.53256946977763, - "a7": 121.52891522372, - "L1": 1.32527734020031, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.27064443711, - "bs": 23.0, - "a2": 111.073239415827, - "a5": 120.467659994698, - "sidechain_LEU": null, - "chainIndex": 490, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.734046540381 - } -}, -{ - "pk": 1710, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 113.713708548799, - "psi": -171.46265796885, - "oldID": "703", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1712, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1708, - "terminal_flag": false, - "phi": 111.907028048239, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.435921525739, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.235812001874, - "L4": 1.51395210568348, - "L5": 1.24167069072196, - "L2": 1.45390174245386, - "L3": null, - "a7": 123.471837188251, - "L1": 1.32336148680665, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 119.210935288047, - "bs": 0.0, - "a2": null, - "a5": 122.814401809826, - "sidechain_LEU": null, - "chainIndex": 702, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1711, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 90, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.083761016441, - "psi": 147.9730634945, - "oldID": "492", - "bg": 25.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.9119957605085, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1713, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1709, - "terminal_flag": false, - "phi": -54.8926452663417, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.399168407257, - "chi2": -41.7471249038485, - "chi3": 37.7271030882697, - "chi1": 28.9622441279296, - "chi4": -19.5032310247001, - "chi5": null, - "a1": 118.490444586908, - "L4": 1.51369010015445, - "L5": 1.23587790321415, - "L2": 1.4651057598018, - "L3": 1.52601740312035, - "a7": 123.562127455731, - "L1": 1.34188627099636, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 11.0859048004294, - "ss": "-", - "a3": 109.518691422576, - "bs": 24.0, - "a2": 103.260822710838, - "a5": 120.339568523301, - "sidechain_LEU": null, - "chainIndex": 491, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.580189367737 - } -}, -{ - "pk": 1712, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 74, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.767351591084, - "psi": 97.0517067848648, - "oldID": "704", - "bg": 17.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.385912579653, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1714, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1710, - "terminal_flag": false, - "phi": -85.9410535785321, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.057350181045, - "chi2": -2.54915150567103, - "chi3": null, - "chi1": -179.519392534318, - "chi4": null, - "chi5": null, - "a1": 123.29987568812, - "L4": 1.53943656722887, - "L5": 1.22908610375891, - "L2": 1.46616697319334, - "L3": 1.5315005382588, - "a7": 122.075847214924, - "L1": 1.32435718883681, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.583776652269, - "bs": 18.0, - "a2": 109.474127728293, - "a5": 121.144773612841, - "sidechain_LEU": null, - "chainIndex": 703, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.839507589367 - } -}, -{ - "pk": 1713, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.480276497453, - "psi": -7.9960123403659, - "oldID": "493", - "bg": 37.04, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.7816314132312, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1715, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 1711, - "terminal_flag": false, - "phi": -108.367957534481, - "chainID": "A", - "sidechain_GLN": 63, - "ome": 179.299336017572, - "chi2": 62.6623464265129, - "chi3": -167.273167506933, - "chi1": -140.008886381627, - "chi4": null, - "chi5": null, - "a1": 120.950769739484, - "L4": 1.53483132761594, - "L5": 1.22239875335138, - "L2": 1.44961691110937, - "L3": 1.5298246536626, - "a7": 121.549429513168, - "L1": 1.32768667227339, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 119.466607527435, - "bs": 34.0, - "a2": 107.237149844969, - "a5": 119.969156036366, - "sidechain_LEU": null, - "chainIndex": 492, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.877437242887 - } -}, -{ - "pk": 1714, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.136315947515, - "psi": -25.9383924389368, - "oldID": "705", - "bg": 16.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0444836332891, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 43, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1716, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 1712, - "terminal_flag": false, - "phi": -66.4937642868031, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.508611540664, - "chi2": -67.8271888111603, - "chi3": 165.945534307646, - "chi1": -51.9585387327758, - "chi4": null, - "chi5": null, - "a1": 121.199095267797, - "L4": 1.52809066399738, - "L5": 1.24343760051564, - "L2": 1.45592256239843, - "L3": 1.53469511290349, - "a7": 122.950672065023, - "L1": 1.32348980389944, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 111.151397297108, - "bs": 16.0, - "a2": 108.737542770326, - "a5": 120.90844442283, - "sidechain_LEU": null, - "chainIndex": 704, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.05021230014 - } -}, -{ - "pk": 1715, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.021386484889, - "psi": 176.959785350558, - "oldID": "494", - "bg": 27.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0859282296742, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1717, - "sidechain_SER": 88, - "bm": 34.0, - "xpr": false, - "prev": 1713, - "terminal_flag": false, - "phi": -126.965576169674, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.870874584761, - "chi2": null, - "chi3": null, - "chi1": 76.1207361192629, - "chi4": null, - "chi5": null, - "a1": 120.098758252864, - "L4": 1.53156417025797, - "L5": 1.23076572926845, - "L2": 1.46581973902855, - "L3": 1.53028054415823, - "a7": 122.818101084506, - "L1": 1.32852892628583, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.407816265722, - "bs": 29.0, - "a2": 110.916736517099, - "a5": 121.160265905237, - "sidechain_LEU": null, - "chainIndex": 493, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.901352591739 - } -}, -{ - "pk": 1716, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.124655665938, - "psi": -15.1175481625628, - "oldID": "706", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7165742676434, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1718, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1714, - "terminal_flag": false, - "phi": -72.6414932907715, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.871542582178, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.117030374249, - "L4": 1.54805859999454, - "L5": 1.21779290166063, - "L2": 1.44829846419128, - "L3": 1.51515200774446, - "a7": 122.486191595681, - "L1": 1.33298026289119, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 113.491787599817, - "bs": 15.0, - "a2": 109.789153480409, - "a5": 120.36283781882, - "sidechain_LEU": null, - "chainIndex": 705, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.404124275079 - } -}, -{ - "pk": 1717, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.778198665466, - "psi": -42.997381767146, - "oldID": "495", - "bg": 44.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4969026998227, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1720, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 1715, - "terminal_flag": false, - "phi": -76.4437784447456, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.704756840191, - "chi2": 58.7221770210096, - "chi3": 66.1017152025319, - "chi1": -156.934924520974, - "chi4": null, - "chi5": null, - "a1": 121.305968427412, - "L4": 1.52949762463577, - "L5": 1.23295699258402, - "L2": 1.44151781335176, - "L3": 1.53259764370131, - "a7": 122.339334278114, - "L1": 1.32433172275768, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 121, - "omep": null, - "ss": "H", - "a3": 109.309564728692, - "bs": 43.0, - "a2": 108.989150761228, - "a5": 120.856497401657, - "sidechain_LEU": null, - "chainIndex": 494, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.779968003779 - } -}, -{ - "pk": 1718, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.677907272823, - "psi": 2.00105298029927, - "oldID": "707", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8037164423347, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1719, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1716, - "terminal_flag": false, - "phi": -97.088423383675, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.120049763969, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.584072057093, - "L4": 1.52471560127574, - "L5": 1.24753329445655, - "L2": 1.45026921123152, - "L3": 1.53422814831406, - "a7": 122.991686492392, - "L1": 1.32776722717954, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 111.0993407992, - "bs": 14.0, - "a2": 109.401657649432, - "a5": 120.325494061774, - "sidechain_LEU": null, - "chainIndex": 706, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.382518282153 - } -}, -{ - "pk": 1719, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.584539580033, - "psi": 141.586411674891, - "oldID": "708", - "bg": 17.29, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9119553455388, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1722, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1718, - "terminal_flag": false, - "phi": -72.6263011480107, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.351029693369, - "chi2": 177.307415641527, - "chi3": -50.622837794396, - "chi1": -66.5939107349314, - "chi4": 164.603836273202, - "chi5": 1.83408668287349, - "a1": 120.649505056847, - "L4": 1.54404591420019, - "L5": 1.22351264679616, - "L2": 1.46309935732362, - "L3": 1.5289233381725, - "a7": 122.125621207656, - "L1": 1.33667376666436, - "sidechain_ARG": 85, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.151333212052, - "bs": 17.0, - "a2": 111.189248192118, - "a5": 121.284707264447, - "sidechain_LEU": null, - "chainIndex": 707, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.246537883574 - } -}, -{ - "pk": 1720, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.449156819596, - "psi": -42.6006324756331, - "oldID": "496", - "bg": 51.83, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9158003812858, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1721, - "sidechain_SER": null, - "bm": 44.0, - "xpr": false, - "prev": 1717, - "terminal_flag": false, - "phi": -65.7731973582478, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.651481452869, - "chi2": 101.759438366254, - "chi3": -70.5409346127653, - "chi1": -45.5477305113696, - "chi4": null, - "chi5": null, - "a1": 120.073247064676, - "L4": 1.51992002469687, - "L5": 1.24342746407107, - "L2": 1.45150394882167, - "L3": 1.52569421338977, - "a7": 123.153542008595, - "L1": 1.32737834832503, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 122, - "omep": null, - "ss": "H", - "a3": 108.475921858538, - "bs": 53.0, - "a2": 111.458454275033, - "a5": 121.397040495535, - "sidechain_LEU": null, - "chainIndex": 495, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.787378746491 - } -}, -{ - "pk": 1721, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.900126415164, - "psi": -36.0324880928602, - "oldID": "497", - "bg": 41.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.6259512699747, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 88, - "sidechain_TRP": null, - "next": 1723, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1720, - "terminal_flag": false, - "phi": -62.1007259503534, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.817218555306, - "chi2": null, - "chi3": null, - "chi1": -78.6936433080634, - "chi4": null, - "chi5": null, - "a1": 120.911786663298, - "L4": 1.53229407419945, - "L5": 1.22229326341773, - "L2": 1.45094353726249, - "L3": 1.5480332730319, - "a7": 122.336403472675, - "L1": 1.32691441109763, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.708560136272, - "bs": 41.0, - "a2": 110.080017127205, - "a5": 119.741648504323, - "sidechain_LEU": null, - "chainIndex": 496, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.994998234621 - } -}, -{ - "pk": 1722, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.123103326112, - "psi": 43.5826398101512, - "oldID": "709", - "bg": 20.72, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9497266750629, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1724, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1719, - "terminal_flag": false, - "phi": -130.332116790684, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.443573926401, - "chi2": 173.538083495375, - "chi3": 66.6919110931592, - "chi1": -58.6790728860402, - "chi4": 71.6701674451022, - "chi5": 0.352111516994452, - "a1": 121.237699815846, - "L4": 1.53644858740223, - "L5": 1.24470371322831, - "L2": 1.46742350169999, - "L3": 1.51901050033185, - "a7": 122.459621858808, - "L1": 1.3277342065111, - "sidechain_ARG": 86, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 108.327559677866, - "bs": 23.0, - "a2": 109.593942830092, - "a5": 121.408284766955, - "sidechain_LEU": null, - "chainIndex": 708, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.82556957115 - } -}, -{ - "pk": 1723, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.822830151556, - "psi": -42.3240765693876, - "oldID": "498", - "bg": 34.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6242003753837, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1725, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 1721, - "terminal_flag": false, - "phi": -63.4021854553293, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.209820212102, - "chi2": 159.789483041418, - "chi3": 128.871613400944, - "chi1": -92.864146275422, - "chi4": -76.6705172638331, - "chi5": -0.419282579447418, - "a1": 121.158906105865, - "L4": 1.53458336372639, - "L5": 1.22902143569827, - "L2": 1.46409199172676, - "L3": 1.53014860996022, - "a7": 123.163398079562, - "L1": 1.33364639317819, - "sidechain_ARG": 87, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.529830893591, - "bs": 39.0, - "a2": 111.042930622321, - "a5": 119.99678562643, - "sidechain_LEU": null, - "chainIndex": 497, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.648538347088 - } -}, -{ - "pk": 1724, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 106, - "a6": 116.902522730317, - "psi": 114.456949288564, - "oldID": "710", - "bg": 22.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5619358279658, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1726, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1722, - "terminal_flag": false, - "phi": -97.1856918426532, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.991312578835, - "chi2": 5.04029919310578, - "chi3": null, - "chi1": -176.064267969932, - "chi4": null, - "chi5": null, - "a1": 120.201561614608, - "L4": 1.50528810041887, - "L5": 1.23257552667421, - "L2": 1.47086730902582, - "L3": 1.51496425207624, - "a7": 123.673153643679, - "L1": 1.32540981572758, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.575366244118, - "bs": 22.0, - "a2": 109.115204247629, - "a5": 119.419353191193, - "sidechain_LEU": null, - "chainIndex": 709, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.464767354586 - } -}, -{ - "pk": 1725, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.720958206742, - "psi": -35.4119375355032, - "oldID": "499", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4609034981618, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1727, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 1723, - "terminal_flag": false, - "phi": -67.9350956616651, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.849344695298, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 123.229891661532, - "L4": 1.52202312750576, - "L5": 1.2308878341642, - "L2": 1.47509213080917, - "L3": 1.52738026465418, - "a7": 123.109586962704, - "L1": 1.33708054951261, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.269704023019, - "bs": 27.0, - "a2": 110.142711290483, - "a5": 122.169425536815, - "sidechain_LEU": null, - "chainIndex": 498, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.537904819138 - } -}, -{ - "pk": 1726, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.597590935301, - "psi": 7.45297250268204, - "oldID": "711", - "bg": 18.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5405944222144, - "sidechain_PHE": null, - "sidechain_LYS": 119, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1728, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1724, - "terminal_flag": false, - "phi": -90.9974247569265, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.898697380849, - "chi2": 179.384762115043, - "chi3": 92.1020290064051, - "chi1": -69.4133184587627, - "chi4": -179.127316720817, - "chi5": null, - "a1": 121.449804938464, - "L4": 1.52189916080709, - "L5": 1.22352161715468, - "L2": 1.46861342376584, - "L3": 1.53109436436104, - "a7": 122.889073286664, - "L1": 1.33056857125572, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.449890964756, - "bs": 19.0, - "a2": 110.029688993299, - "a5": 120.506036607514, - "sidechain_LEU": null, - "chainIndex": 710, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.594024326667 - } -}, -{ - "pk": 1727, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.444994248544, - "psi": -35.6374733635572, - "oldID": "500", - "bg": 28.87, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.466986846914, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1729, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 1725, - "terminal_flag": false, - "phi": -62.4057638910286, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.702424510585, - "chi2": 159.683008485484, - "chi3": 65.7217827149757, - "chi1": -137.780873391725, - "chi4": null, - "chi5": null, - "a1": 121.949199441975, - "L4": 1.50586456361501, - "L5": 1.23277790609025, - "L2": 1.44355685065848, - "L3": 1.50978702465557, - "a7": 123.089591671939, - "L1": 1.31881659849355, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 123, - "omep": null, - "ss": "H", - "a3": 111.386793919386, - "bs": 30.0, - "a2": 108.76454799919, - "a5": 121.45996121757, - "sidechain_LEU": null, - "chainIndex": 499, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.852882156398 - } -}, -{ - "pk": 1728, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.897585386856, - "psi": 131.584612132989, - "oldID": "712", - "bg": 23.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4189068358073, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 89, - "sidechain_TRP": null, - "next": 1730, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1726, - "terminal_flag": false, - "phi": -60.3755148750633, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.694528990451, - "chi2": null, - "chi3": null, - "chi1": -60.3961477416128, - "chi4": null, - "chi5": null, - "a1": 120.457492486233, - "L4": 1.53790268516548, - "L5": 1.22670028990774, - "L2": 1.4623362401903, - "L3": 1.52586324776036, - "a7": 123.095026264609, - "L1": 1.32875937781605, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.244280559342, - "bs": 21.0, - "a2": 110.264426665016, - "a5": 120.975448456028, - "sidechain_LEU": null, - "chainIndex": 711, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.323692787012 - } -}, -{ - "pk": 1729, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.562192814111, - "psi": -51.9575727857001, - "oldID": "501", - "bg": 36.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7776027970317, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1731, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 1727, - "terminal_flag": false, - "phi": -73.3810538399822, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.604975765412, - "chi2": -169.25187436666, - "chi3": null, - "chi1": -60.6634932716634, - "chi4": null, - "chi5": null, - "a1": 120.216609447323, - "L4": 1.50743664539205, - "L5": 1.24005281185805, - "L2": 1.44914120257357, - "L3": 1.51945944280612, - "a7": 123.269468421045, - "L1": 1.32197784096859, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "I", - "a3": 110.432430132151, - "bs": 35.0, - "a2": 110.618084710565, - "a5": 121.165750853293, - "sidechain_LEU": 138, - "chainIndex": 500, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.316255533794 - } -}, -{ - "pk": 1730, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.792681234089, - "psi": 148.185823077396, - "oldID": "713", - "bg": 17.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4009494142792, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1732, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1728, - "terminal_flag": false, - "phi": -138.913787933543, - "chainID": "A", - "sidechain_GLN": 64, - "ome": 169.072835990169, - "chi2": -173.107677217889, - "chi3": 96.7584956840263, - "chi1": -62.8969083450645, - "chi4": null, - "chi5": null, - "a1": 122.360483372213, - "L4": 1.51939172688684, - "L5": 1.25004370392558, - "L2": 1.44592011719998, - "L3": 1.52575630972101, - "a7": 122.850597927206, - "L1": 1.32425890711668, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.610804992857, - "bs": 18.0, - "a2": 111.104286162561, - "a5": 121.356593085801, - "sidechain_LEU": null, - "chainIndex": 712, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.884526493673 - } -}, -{ - "pk": 1731, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.202555354318, - "psi": -23.2366307339008, - "oldID": "502", - "bg": 29.04, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8463105058139, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1734, - "sidechain_SER": 89, - "bm": 25.0, - "xpr": false, - "prev": 1729, - "terminal_flag": false, - "phi": -71.5236004709287, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.517314216312, - "chi2": null, - "chi3": null, - "chi1": 62.2385041008318, - "chi4": null, - "chi5": null, - "a1": 119.489480609785, - "L4": 1.52226585780988, - "L5": 1.22064596479221, - "L2": 1.439557976346, - "L3": 1.53264540832965, - "a7": 122.561547011795, - "L1": 1.32622907118804, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "I", - "a3": 115.27636611701, - "bs": 28.0, - "a2": 110.169390909457, - "a5": 119.235806979579, - "sidechain_LEU": null, - "chainIndex": 501, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.577779370571 - } -}, -{ - "pk": 1732, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.969141569504, - "psi": 165.948829940747, - "oldID": "714", - "bg": 19.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7646066134131, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 90, - "sidechain_TRP": null, - "next": 1733, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1730, - "terminal_flag": false, - "phi": -72.9638164380676, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.96691862569, - "chi2": null, - "chi3": null, - "chi1": 59.5150951892398, - "chi4": null, - "chi5": null, - "a1": 119.305282774803, - "L4": 1.51690753992078, - "L5": 1.22365079831466, - "L2": 1.4502572711367, - "L3": 1.53048329796332, - "a7": 122.392191605658, - "L1": 1.32683749902402, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 105.473916659077, - "bs": 18.0, - "a2": 112.641614392363, - "a5": 121.57333751497, - "sidechain_LEU": null, - "chainIndex": 713, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.047520890343 - } -}, -{ - "pk": 1733, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 107, - "a6": 115.677717466518, - "psi": -43.5354211045624, - "oldID": "715", - "bg": 24.72, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.2339370520036, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1736, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1732, - "terminal_flag": false, - "phi": -55.718964450082, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.848329615044, - "chi2": -0.429681574646199, - "chi3": null, - "chi1": -81.1997086760726, - "chi4": null, - "chi5": null, - "a1": 121.027695594083, - "L4": 1.53616799502585, - "L5": 1.21566837085409, - "L2": 1.45088351997471, - "L3": 1.53453881764475, - "a7": 122.911379473639, - "L1": 1.31793845510865, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.841229488426, - "bs": 24.0, - "a2": 108.794815990575, - "a5": 121.322926992784, - "sidechain_LEU": null, - "chainIndex": 714, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.939248936347 - } -}, -{ - "pk": 1734, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.782932030858, - "psi": -12.1799394058736, - "oldID": "503", - "bg": 36.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.633312205703, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1735, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 1731, - "terminal_flag": false, - "phi": -95.2945098639176, - "chainID": "A", - "sidechain_GLN": 65, - "ome": 178.102280265425, - "chi2": 41.8719896437267, - "chi3": 54.1651970531761, - "chi1": -104.579619437744, - "chi4": null, - "chi5": null, - "a1": 120.029827923989, - "L4": 1.5163509238176, - "L5": 1.22719003992045, - "L2": 1.44826745169604, - "L3": 1.51700090443286, - "a7": 122.857097977866, - "L1": 1.32939079911392, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "I", - "a3": 113.345294259396, - "bs": 38.0, - "a2": 110.079953234143, - "a5": 120.357638417061, - "sidechain_LEU": null, - "chainIndex": 502, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.45270766373 - } -}, -{ - "pk": 1735, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.669631249364, - "psi": -46.1459227596204, - "oldID": "504", - "bg": 22.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9920809481354, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1738, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 1734, - "terminal_flag": false, - "phi": -127.183683519231, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.596471802996, - "chi2": 1.72520017808413, - "chi3": null, - "chi1": -77.4084908446475, - "chi4": null, - "chi5": null, - "a1": 119.622990188082, - "L4": 1.5193837517655, - "L5": 1.2315161515577, - "L2": 1.43934857396873, - "L3": 1.52228107567141, - "a7": 122.343213190221, - "L1": 1.32789199712301, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "I", - "a3": 112.098193928201, - "bs": 24.0, - "a2": 110.908910307077, - "a5": 120.978733195555, - "sidechain_LEU": 139, - "chainIndex": 503, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.24492247391 - } -}, -{ - "pk": 1736, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.186787245149, - "psi": -51.2773995572652, - "oldID": "716", - "bg": 17.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.41110409565, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 44, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1737, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1733, - "terminal_flag": false, - "phi": -60.3628678096243, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.100572095901, - "chi2": 178.717830916385, - "chi3": 179.038938971548, - "chi1": -173.403408628967, - "chi4": null, - "chi5": null, - "a1": 122.821100286895, - "L4": 1.52713568071058, - "L5": 1.23682243737479, - "L2": 1.46300122183723, - "L3": 1.52832460154039, - "a7": 122.148432696521, - "L1": 1.31817403501929, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.476654921482, - "bs": 18.0, - "a2": 108.505704864521, - "a5": 121.662677406118, - "sidechain_LEU": null, - "chainIndex": 715, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.139483870453 - } -}, -{ - "pk": 1737, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.755918098973, - "psi": -42.5396210153622, - "oldID": "717", - "bg": 13.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4454727617695, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1739, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1736, - "terminal_flag": false, - "phi": -61.5036308061308, - "chainID": "A", - "sidechain_GLN": 66, - "ome": -177.055619384625, - "chi2": 161.6022283873, - "chi3": -4.18598250210572, - "chi1": -67.4840500191002, - "chi4": null, - "chi5": null, - "a1": 120.44942995148, - "L4": 1.52522164113814, - "L5": 1.23087599195918, - "L2": 1.44784420292301, - "L3": 1.52181600989047, - "a7": 122.313366270702, - "L1": 1.32404564239235, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.55772562055, - "bs": 15.0, - "a2": 109.814675843827, - "a5": 120.905467678705, - "sidechain_LEU": null, - "chainIndex": 716, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.801616619027 - } -}, -{ - "pk": 1738, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.349016043953, - "psi": -20.9975814579386, - "oldID": "505", - "bg": 29.11, - "sidechain_CYS": 30, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8937785964445, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1740, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1735, - "terminal_flag": false, - "phi": -88.0657851198395, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.794896213784, - "chi2": null, - "chi3": null, - "chi1": -38.9083249212517, - "chi4": null, - "chi5": null, - "a1": 119.687505489222, - "L4": 1.51638785940448, - "L5": 1.22328201241555, - "L2": 1.45627151241909, - "L3": 1.53051944044813, - "a7": 123.066536128953, - "L1": 1.32701394763452, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "I", - "a3": 118.007841760379, - "bs": 27.0, - "a2": 109.32211362463, - "a5": 119.574135489358, - "sidechain_LEU": null, - "chainIndex": 504, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.274085220524 - } -}, -{ - "pk": 1739, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.135842263483, - "psi": -30.5653082000696, - "oldID": "718", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9126800473497, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1741, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1737, - "terminal_flag": false, - "phi": -64.431345416132, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.245895289269, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.656226541943, - "L4": 1.53544496040807, - "L5": 1.23762833566876, - "L2": 1.47189804306631, - "L3": 1.51262153124815, - "a7": 122.652652843481, - "L1": 1.33225426024709, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.055141992916, - "bs": 15.0, - "a2": 109.806192590947, - "a5": 121.208388256791, - "sidechain_LEU": null, - "chainIndex": 717, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.828357591779 - } -}, -{ - "pk": 1740, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.534053132843, - "psi": 131.319328966295, - "oldID": "506", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7276296203311, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1742, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 1738, - "terminal_flag": false, - "phi": -36.0359569877409, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.154300326842, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.677787330338, - "L4": 1.52912399893215, - "L5": 1.24570602866146, - "L2": 1.46511949051948, - "L3": 1.51961115070284, - "a7": 124.049466077531, - "L1": 1.32610022828162, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 112.616484196689, - "bs": 23.0, - "a2": 109.119290395715, - "a5": 120.414299393403, - "sidechain_LEU": null, - "chainIndex": 505, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.024338133721 - } -}, -{ - "pk": 1741, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.219411079577, - "psi": -34.0663613556766, - "oldID": "719", - "bg": 18.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4653240906127, - "sidechain_PHE": null, - "sidechain_LYS": 120, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1743, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1739, - "terminal_flag": false, - "phi": -61.4151092685004, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.959244614879, - "chi2": 63.4171629162198, - "chi3": 163.545389013901, - "chi1": -175.120662847582, - "chi4": -61.8576609842207, - "chi5": null, - "a1": 121.304561085373, - "L4": 1.51681325458445, - "L5": 1.23203260544702, - "L2": 1.45553844761656, - "L3": 1.52293136911868, - "a7": 123.069905181791, - "L1": 1.32481290706317, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.592124654131, - "bs": 18.0, - "a2": 110.29050988896, - "a5": 120.70353432843, - "sidechain_LEU": null, - "chainIndex": 718, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.996902053322 - } -}, -{ - "pk": 1742, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 119.266914370514, - "psi": -47.3474858611142, - "oldID": "507", - "bg": 9.14, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 31.989371960035, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 117, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1744, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1740, - "terminal_flag": false, - "phi": -44.7240579986701, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.931173092635, - "chi2": null, - "chi3": null, - "chi1": 160.990962430202, - "chi4": null, - "chi5": null, - "a1": 123.408624874314, - "L4": 1.53730534782406, - "L5": 1.22211760116815, - "L2": 1.46151768518265, - "L3": 1.6023885396643, - "a7": 121.761819971343, - "L1": 1.33714566790038, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 113.772130897329, - "bs": 11.0, - "a2": 110.799484563363, - "a5": 118.968771468368, - "sidechain_LEU": null, - "chainIndex": 506, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.360412386684 - } -}, -{ - "pk": 1743, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.637449099574, - "psi": -4.64962460938609, - "oldID": "720", - "bg": 15.66, - "sidechain_CYS": null, - "sidechain_ILE": 94, - "protein": "1H0H", - "zeta": 32.4863489899317, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1745, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1741, - "terminal_flag": false, - "phi": -109.78712220095, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.622580322138, - "chi2": 158.651877476027, - "chi3": null, - "chi1": 55.3329384839434, - "chi4": null, - "chi5": null, - "a1": 119.587245788686, - "L4": 1.53224948541745, - "L5": 1.22345428545566, - "L2": 1.45916908296009, - "L3": 1.5591491850079, - "a7": 121.488675739634, - "L1": 1.33316092194807, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.726286330658, - "bs": 15.0, - "a2": 110.829806873668, - "a5": 119.860121519719, - "sidechain_LEU": null, - "chainIndex": 719, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.549269722818 - } -}, -{ - "pk": 1744, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 91, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.006214311905, - "psi": -35.8090732745692, - "oldID": "508", - "bg": 19.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.594304246147, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1746, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1742, - "terminal_flag": false, - "phi": -58.1166653014475, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.85837692729, - "chi2": 43.3774444002259, - "chi3": -39.9956428699614, - "chi1": -30.3569069835249, - "chi4": 21.778897663295, - "chi5": null, - "a1": 121.800417895112, - "L4": 1.52777626425326, - "L5": 1.23776346582154, - "L2": 1.47298838355976, - "L3": 1.53400752835805, - "a7": 122.542588165515, - "L1": 1.35243221107918, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -4.39529323636464, - "ss": "G", - "a3": 112.574736344205, - "bs": 19.0, - "a2": 103.430970450334, - "a5": 121.441322788187, - "sidechain_LEU": null, - "chainIndex": 507, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.770582741122 - } -}, -{ - "pk": 1745, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.205845540304, - "psi": 41.858937539812, - "oldID": "721", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1747, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1743, - "terminal_flag": false, - "phi": 79.9397218255334, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.652635822077, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.191257286491, - "L4": 1.53714488281208, - "L5": 1.24187326630109, - "L2": 1.45765008034481, - "L3": null, - "a7": 122.426427511548, - "L1": 1.32944636879211, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.971733260718, - "bs": 0.0, - "a2": null, - "a5": 120.345352697554, - "sidechain_LEU": null, - "chainIndex": 720, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1746, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.537859305458, - "psi": 9.44894080387155, - "oldID": "509", - "bg": 20.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3875502409047, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1748, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1744, - "terminal_flag": false, - "phi": -76.6021850169772, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.703770264031, - "chi2": 164.133326699205, - "chi3": null, - "chi1": -56.2878362844034, - "chi4": null, - "chi5": null, - "a1": 120.193520335989, - "L4": 1.53622356691391, - "L5": 1.22541691213083, - "L2": 1.45213715692643, - "L3": 1.53834791898485, - "a7": 122.372058224165, - "L1": 1.33053331624891, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 111.775431435311, - "bs": 19.0, - "a2": 110.783973505966, - "a5": 120.088537824279, - "sidechain_LEU": 140, - "chainIndex": 508, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.334202312541 - } -}, -{ - "pk": 1747, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.355593869023, - "psi": -37.6907904968646, - "oldID": "722", - "bg": 16.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6368356879372, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1750, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1745, - "terminal_flag": false, - "phi": -71.8425297903633, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.09334095192, - "chi2": 175.372249842419, - "chi3": null, - "chi1": -68.3422752122698, - "chi4": null, - "chi5": null, - "a1": 121.695355004298, - "L4": 1.52594792743452, - "L5": 1.24965237605515, - "L2": 1.47186297730812, - "L3": 1.53105802205656, - "a7": 123.253948063222, - "L1": 1.32810980897305, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.84952543248, - "bs": 16.0, - "a2": 111.397195872384, - "a5": 120.390435296459, - "sidechain_LEU": 141, - "chainIndex": 721, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.224903398536 - } -}, -{ - "pk": 1748, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.180084019458, - "psi": -13.0457375070197, - "oldID": "510", - "bg": 24.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.336780745764, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1749, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1746, - "terminal_flag": false, - "phi": -119.498033128164, - "chainID": "A", - "sidechain_GLN": 67, - "ome": -178.745702817187, - "chi2": -63.8322973535203, - "chi3": -50.0580532055772, - "chi1": -56.4941290773515, - "chi4": null, - "chi5": null, - "a1": 120.522521225331, - "L4": 1.53189552648187, - "L5": 1.22801540646358, - "L2": 1.45353375579191, - "L3": 1.53346531837635, - "a7": 123.383701735555, - "L1": 1.33125122831422, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 114.16692069105, - "bs": 26.0, - "a2": 110.349716382993, - "a5": 120.43412200383, - "sidechain_LEU": null, - "chainIndex": 509, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.024622799878 - } -}, -{ - "pk": 1749, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.010026931207, - "psi": -59.2985475136241, - "oldID": "511", - "bg": 21.48, - "sidechain_CYS": null, - "sidechain_ILE": 95, - "protein": "1TWF", - "zeta": 33.3279432324313, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1751, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 1748, - "terminal_flag": false, - "phi": -39.8727030017519, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.428871324694, - "chi2": 163.048598553501, - "chi3": null, - "chi1": -81.0566477216799, - "chi4": null, - "chi5": null, - "a1": 123.313497389511, - "L4": 1.52807924804391, - "L5": 1.2399405654482, - "L2": 1.4624693969008, - "L3": 1.56621733042312, - "a7": 122.66922504675, - "L1": 1.33143983161146, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 111.847045879946, - "bs": 22.0, - "a2": 110.26736684969, - "a5": 121.316017316186, - "sidechain_LEU": null, - "chainIndex": 510, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.580273603514 - } -}, -{ - "pk": 1750, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.603748975926, - "psi": 55.1120152109023, - "oldID": "723", - "bg": 16.89, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1675717719473, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1752, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1747, - "terminal_flag": false, - "phi": 43.9390305196724, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.052404322615, - "chi2": -79.0046477230652, - "chi3": null, - "chi1": -70.2353205195719, - "chi4": null, - "chi5": null, - "a1": 122.061485035487, - "L4": 1.54273198807121, - "L5": 1.21754095220937, - "L2": 1.46795016267059, - "L3": 1.53925267779449, - "a7": 121.821308846353, - "L1": 1.3289098846307, - "sidechain_ARG": null, - "sidechain_TYR": 58, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.493875025704, - "bs": 18.0, - "a2": 110.414721649807, - "a5": 120.529378024256, - "sidechain_LEU": null, - "chainIndex": 722, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.332874499388 - } -}, -{ - "pk": 1751, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.95138938409, - "psi": 109.644950875473, - "oldID": "512", - "bg": 18.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2884979555502, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 118, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1754, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1749, - "terminal_flag": false, - "phi": -92.079791504856, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.854374372217, - "chi2": null, - "chi3": null, - "chi1": 171.980037431372, - "chi4": null, - "chi5": null, - "a1": 121.841494456312, - "L4": 1.52673144276339, - "L5": 1.22168863610289, - "L2": 1.45496301466207, - "L3": 1.55129660993191, - "a7": 122.32674249309, - "L1": 1.32048903046085, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.03896649215, - "bs": 19.0, - "a2": 110.083468797523, - "a5": 120.715053014684, - "sidechain_LEU": null, - "chainIndex": 511, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.517559145727 - } -}, -{ - "pk": 1752, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 92, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.525778029161, - "psi": -17.4433264520664, - "oldID": "724", - "bg": 19.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.1149839160395, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1753, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1750, - "terminal_flag": false, - "phi": -64.0152265112597, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.704647185925, - "chi2": 6.13527791310167, - "chi3": -9.13785193202919, - "chi1": -0.521322421274012, - "chi4": 9.1389146590443, - "chi5": null, - "a1": 121.436341647783, - "L4": 1.51407504425666, - "L5": 1.2335410389688, - "L2": 1.46889739041906, - "L3": 1.53431923038617, - "a7": 124.881175816724, - "L1": 1.31643426004818, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 7.42402546911471, - "ss": "T", - "a3": 113.790532994179, - "bs": 18.0, - "a2": 104.155699744047, - "a5": 116.585626715202, - "sidechain_LEU": null, - "chainIndex": 723, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.820718732278 - } -}, -{ - "pk": 1753, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.344433707421, - "psi": -5.29482599357469, - "oldID": "725", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1756, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1752, - "terminal_flag": false, - "phi": -88.0986281672483, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.845230939628, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.671427475798, - "L4": 1.52728684877626, - "L5": 1.23853784562474, - "L2": 1.44610748973905, - "L3": null, - "a7": 122.461610303532, - "L1": 1.33968173435228, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.856694228023, - "bs": 0.0, - "a2": null, - "a5": 120.169299247217, - "sidechain_LEU": null, - "chainIndex": 724, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1754, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.475055183603, - "psi": 150.442674999973, - "oldID": "513", - "bg": 22.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3538196525016, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1755, - "sidechain_SER": 90, - "bm": 21.0, - "xpr": false, - "prev": 1751, - "terminal_flag": false, - "phi": -102.109832490296, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.463014084058, - "chi2": null, - "chi3": null, - "chi1": 127.324584628651, - "chi4": null, - "chi5": null, - "a1": 120.82962340209, - "L4": 1.52224164056217, - "L5": 1.2273485413362, - "L2": 1.45671707713868, - "L3": 1.53147021782465, - "a7": 121.951396017209, - "L1": 1.32356388656966, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 115.504000745062, - "bs": 24.0, - "a2": 110.140175720557, - "a5": 121.519806368276, - "sidechain_LEU": null, - "chainIndex": 512, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.467246377292 - } -}, -{ - "pk": 1755, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 93, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.33514668788, - "psi": -14.7156785836584, - "oldID": "514", - "bg": 27.22, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 38.9464826001392, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1758, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1754, - "terminal_flag": false, - "phi": -73.0326982085239, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.881279306032, - "chi2": -48.7329479018294, - "chi3": 44.7280374947396, - "chi1": 33.9489148427966, - "chi4": -24.3809699227222, - "chi5": null, - "a1": 123.175162940795, - "L4": 1.50791837642571, - "L5": 1.226805861767, - "L2": 1.46137978434567, - "L3": 1.5136641796026, - "a7": 122.665632216199, - "L1": 1.338387870054, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -8.37054152911561, - "ss": "T", - "a3": 113.37541093535, - "bs": 25.0, - "a2": 103.022521038277, - "a5": 119.978185851602, - "sidechain_LEU": null, - "chainIndex": 513, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.05955285519 - } -}, -{ - "pk": 1756, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.178802416161, - "psi": 109.284364217113, - "oldID": "726", - "bg": 15.3, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9450411333765, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 28, - "next": 1757, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1753, - "terminal_flag": false, - "phi": -93.6544033044646, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.024575495472, - "chi2": -85.1001502167111, - "chi3": null, - "chi1": -169.336949868231, - "chi4": null, - "chi5": null, - "a1": 121.322525337914, - "L4": 1.53302081807268, - "L5": 1.22362871504731, - "L2": 1.46055879853229, - "L3": 1.53703819225765, - "a7": 122.374566699344, - "L1": 1.3399469558584, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 110.40788084532, - "bs": 15.0, - "a2": 112.29050123899, - "a5": 120.423889113351, - "sidechain_LEU": null, - "chainIndex": 725, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.241735475203 - } -}, -{ - "pk": 1757, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.217748946503, - "psi": -144.80744433656, - "oldID": "727", - "bg": 14.97, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 28.313552387197, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 91, - "sidechain_TRP": null, - "next": 1760, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1756, - "terminal_flag": false, - "phi": 53.0149867087723, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.984545764259, - "chi2": null, - "chi3": null, - "chi1": 68.5040871357477, - "chi4": null, - "chi5": null, - "a1": 120.867290163916, - "L4": 1.54764525120291, - "L5": 1.22652159680207, - "L2": 1.4808414567449, - "L3": 1.58002455304626, - "a7": 122.163958367963, - "L1": 1.32960665166245, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.819434961887, - "bs": 14.0, - "a2": 114.866594967411, - "a5": 119.591986014971, - "sidechain_LEU": null, - "chainIndex": 726, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 114.465767276074 - } -}, -{ - "pk": 1758, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.388897541913, - "psi": -49.0281017903575, - "oldID": "515", - "bg": 41.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.7084334803639, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1759, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1755, - "terminal_flag": false, - "phi": -53.7646612412415, - "chainID": "A", - "sidechain_GLN": 68, - "ome": -179.589484275422, - "chi2": 174.980106760078, - "chi3": -67.1278463464728, - "chi1": 173.100990588457, - "chi4": null, - "chi5": null, - "a1": 119.027561086129, - "L4": 1.52528497610568, - "L5": 1.24138583925714, - "L2": 1.45169949004116, - "L3": 1.51801638926868, - "a7": 123.067283857877, - "L1": 1.32738584165388, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 109.531081914052, - "bs": 43.0, - "a2": 110.221170610388, - "a5": 120.512043243883, - "sidechain_LEU": null, - "chainIndex": 514, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.405304260447 - } -}, -{ - "pk": 1759, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.696457926399, - "psi": 33.1628512256556, - "oldID": "516", - "bg": 33.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6397453454399, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1761, - "sidechain_SER": 91, - "bm": 26.0, - "xpr": false, - "prev": 1758, - "terminal_flag": false, - "phi": -131.530956790881, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.015439250529, - "chi2": null, - "chi3": null, - "chi1": -58.3984849128797, - "chi4": null, - "chi5": null, - "a1": 121.955588647309, - "L4": 1.53333777612112, - "L5": 1.22727930697127, - "L2": 1.47228582072688, - "L3": 1.52651897207123, - "a7": 122.327200087031, - "L1": 1.33380936430458, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.061912693053, - "bs": 30.0, - "a2": 108.876749827865, - "a5": 120.961176790644, - "sidechain_LEU": null, - "chainIndex": 515, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.948898423673 - } -}, -{ - "pk": 1760, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.449184431056, - "psi": 134.891197216552, - "oldID": "728", - "bg": 16.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5574471094171, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 29, - "next": 1762, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1757, - "terminal_flag": false, - "phi": -159.832973096564, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.894102551342, - "chi2": 92.8181864633051, - "chi3": null, - "chi1": 177.553040148628, - "chi4": null, - "chi5": null, - "a1": 121.404961237536, - "L4": 1.50930779843816, - "L5": 1.23482989299738, - "L2": 1.45920024897562, - "L3": 1.54069376766366, - "a7": 123.534051959957, - "L1": 1.32722284722323, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.03113980421, - "bs": 16.0, - "a2": 109.123250287618, - "a5": 119.97387300213, - "sidechain_LEU": null, - "chainIndex": 727, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.252250728182 - } -}, -{ - "pk": 1761, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 75, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.052219984973, - "psi": 50.0792511354703, - "oldID": "517", - "bg": 21.85, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.7188809842926, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1764, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 1759, - "terminal_flag": false, - "phi": 32.6136966884896, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.256307571241, - "chi2": 83.0182729994927, - "chi3": null, - "chi1": 63.353436830803, - "chi4": null, - "chi5": null, - "a1": 120.571483723764, - "L4": 1.56361481956615, - "L5": 1.23946409351847, - "L2": 1.44626470796185, - "L3": 1.5634556321619, - "a7": 122.497537215234, - "L1": 1.32437892685032, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.103799974952, - "bs": 21.0, - "a2": 108.736569132123, - "a5": 121.414224963287, - "sidechain_LEU": null, - "chainIndex": 516, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.736898631257 - } -}, -{ - "pk": 1762, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.10571546978, - "psi": 141.825031462127, - "oldID": "729", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2448371656113, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1763, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1760, - "terminal_flag": false, - "phi": -110.397116068854, - "chainID": "A", - "sidechain_GLN": null, - "ome": 170.980641704565, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.458689096289, - "L4": 1.53898910950093, - "L5": 1.22188658055411, - "L2": 1.45092381998537, - "L3": 1.55110907134592, - "a7": 122.132925004795, - "L1": 1.33472720581066, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.444544494075, - "bs": 15.0, - "a2": 110.92604585443, - "a5": 120.64042231985, - "sidechain_LEU": null, - "chainIndex": 728, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.027545773165 - } -}, -{ - "pk": 1763, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.80418384046, - "psi": 148.264597505484, - "oldID": "730", - "bg": 15.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0075427612279, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 30, - "next": 1765, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1762, - "terminal_flag": false, - "phi": -87.3225542263661, - "chainID": "A", - "sidechain_GLN": null, - "ome": 0.635114359914768, - "chi2": -105.651060566466, - "chi3": null, - "chi1": 76.807865193354, - "chi4": null, - "chi5": null, - "a1": 119.46099153657, - "L4": 1.52080534298377, - "L5": 1.22203029329598, - "L2": 1.46927361169258, - "L3": 1.52958992592721, - "a7": 122.427334202219, - "L1": 1.32526399525215, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.074828261042, - "bs": 14.0, - "a2": 111.72610967121, - "a5": 118.760902673796, - "sidechain_LEU": null, - "chainIndex": 729, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.434973818207 - } -}, -{ - "pk": 1764, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.340954914857, - "psi": 164.431698036136, - "oldID": "518", - "bg": 28.56, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7147727540196, - "sidechain_PHE": null, - "sidechain_LYS": 121, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1766, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 1761, - "terminal_flag": false, - "phi": -162.368825947643, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.959584254999, - "chi2": -174.540573966513, - "chi3": -77.7822857706961, - "chi1": 55.2812500360911, - "chi4": -74.6448782809003, - "chi5": null, - "a1": 123.24550332413, - "L4": 1.50623287136194, - "L5": 1.22403295820314, - "L2": 1.46317626741837, - "L3": 1.5129282779823, - "a7": 121.996638086503, - "L1": 1.33442267613786, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.955419833271, - "bs": 30.0, - "a2": 111.765773104813, - "a5": 120.660794138986, - "sidechain_LEU": null, - "chainIndex": 517, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.206357181607 - } -}, -{ - "pk": 1765, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 94, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.475333717945, - "psi": 141.570238337957, - "oldID": "731", - "bg": 16.28, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.7538314547849, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1767, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1763, - "terminal_flag": false, - "phi": -92.3434070228403, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.323564894413, - "chi2": -0.308602563088464, - "chi3": -13.8970586892206, - "chi1": 14.2496027123532, - "chi4": 24.4783273547838, - "chi5": null, - "a1": 124.21893906205, - "L4": 1.51101495625168, - "L5": 1.23259691037483, - "L2": 1.47518519486159, - "L3": 1.55063548363553, - "a7": 125.086781194893, - "L1": 1.33823738160782, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 177.71690085438, - "ss": "T", - "a3": 110.185966139321, - "bs": 15.0, - "a2": 103.489527024806, - "a5": 117.426767900989, - "sidechain_LEU": null, - "chainIndex": 730, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.839414332037 - } -}, -{ - "pk": 1766, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 95, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.607083564758, - "psi": 152.972946457948, - "oldID": "519", - "bg": 25.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.0448739733554, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1768, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1764, - "terminal_flag": false, - "phi": -61.2890158914309, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.352796967203, - "chi2": -23.3284432532937, - "chi3": 22.631996149191, - "chi1": 14.2819941691089, - "chi4": -13.9105885358589, - "chi5": null, - "a1": 117.104753501306, - "L4": 1.53038239918453, - "L5": 1.22838702509178, - "L2": 1.47845969748767, - "L3": 1.54052085848651, - "a7": 122.688767650626, - "L1": 1.34088706910391, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -2.60489507630236, - "ss": "E", - "a3": 112.151951457919, - "bs": 20.0, - "a2": 104.570488992012, - "a5": 119.652780236065, - "sidechain_LEU": null, - "chainIndex": 518, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.559477768075 - } -}, -{ - "pk": 1767, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.736619741779, - "psi": 40.4341935540562, - "oldID": "732", - "bg": 16.03, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 29.2675529619452, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 119, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1769, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1765, - "terminal_flag": false, - "phi": 40.6422749721473, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.565602906079, - "chi2": null, - "chi3": null, - "chi1": -64.0411983220224, - "chi4": null, - "chi5": null, - "a1": 123.244558526418, - "L4": 1.53726125933279, - "L5": 1.23548439336991, - "L2": 1.4755261416292, - "L3": 1.58014839372771, - "a7": 123.215958825802, - "L1": 1.33487826907845, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 115.483197016877, - "bs": 15.0, - "a2": 112.764834110442, - "a5": 121.041551197419, - "sidechain_LEU": null, - "chainIndex": 731, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.661034498586 - } -}, -{ - "pk": 1768, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.448731742485, - "psi": 4.29681275727493, - "oldID": "520", - "bg": 27.46, - "sidechain_CYS": 31, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2713252501914, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1770, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 1766, - "terminal_flag": false, - "phi": -118.803728713915, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.91566382586, - "chi2": null, - "chi3": null, - "chi1": 54.3867064467294, - "chi4": null, - "chi5": null, - "a1": 121.294532951084, - "L4": 1.54039126901717, - "L5": 1.23603574821906, - "L2": 1.4585761944311, - "L3": 1.52697414002153, - "a7": 122.65697696003, - "L1": 1.32726389391706, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.480767991691, - "bs": 21.0, - "a2": 112.295572476085, - "a5": 120.815335913957, - "sidechain_LEU": null, - "chainIndex": 519, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.740433809533 - } -}, -{ - "pk": 1769, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 76, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.796219393457, - "psi": 24.0345667135221, - "oldID": "733", - "bg": 15.96, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.4040395893096, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1771, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1767, - "terminal_flag": false, - "phi": 65.9325345514065, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.452418034586, - "chi2": 28.1210393967403, - "chi3": null, - "chi1": -147.071456742513, - "chi4": null, - "chi5": null, - "a1": 122.705427637789, - "L4": 1.54314476308203, - "L5": 1.24573852305871, - "L2": 1.47006587712291, - "L3": 1.54855031943662, - "a7": 122.969807212002, - "L1": 1.33127123271559, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.548693312761, - "bs": 15.0, - "a2": 111.578194831543, - "a5": 120.179441245079, - "sidechain_LEU": null, - "chainIndex": 732, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.57152238946 - } -}, -{ - "pk": 1770, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.686541292011, - "psi": 136.629106518132, - "oldID": "521", - "bg": 20.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8217468718383, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 45, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1772, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1768, - "terminal_flag": false, - "phi": -130.621563433228, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.655932730984, - "chi2": 173.266267749912, - "chi3": -117.342033337912, - "chi1": -70.7326309186059, - "chi4": null, - "chi5": null, - "a1": 122.930834716948, - "L4": 1.54132265864272, - "L5": 1.23354212795301, - "L2": 1.45613731380842, - "L3": 1.52979940849507, - "a7": 122.880364933685, - "L1": 1.32949310025568, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.658643330445, - "bs": 23.0, - "a2": 110.94592619356, - "a5": 120.419747773968, - "sidechain_LEU": null, - "chainIndex": 520, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.291213876472 - } -}, -{ - "pk": 1771, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.481540888988, - "psi": 107.155271115252, - "oldID": "734", - "bg": 13.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.988443710662, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1774, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1769, - "terminal_flag": false, - "phi": -82.538753910559, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.430986409086, - "chi2": 150.511952260539, - "chi3": 177.315797642507, - "chi1": -64.077959505886, - "chi4": 172.620635949803, - "chi5": 1.51339132983499, - "a1": 121.358536914693, - "L4": 1.51477206807609, - "L5": 1.22763631030147, - "L2": 1.46573663950852, - "L3": 1.52905704602998, - "a7": 123.263513158987, - "L1": 1.33323358380551, - "sidechain_ARG": 88, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 106.002628590755, - "bs": 15.0, - "a2": 111.680090286136, - "a5": 120.250688905767, - "sidechain_LEU": null, - "chainIndex": 733, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.066359346854 - } -}, -{ - "pk": 1772, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.594590280677, - "psi": -179.050988422941, - "oldID": "522", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1773, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1770, - "terminal_flag": false, - "phi": -160.073304815377, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.962432711161, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.773652227218, - "L4": 1.51943317019763, - "L5": 1.21807423697176, - "L2": 1.45411658353846, - "L3": null, - "a7": 123.157052258344, - "L1": 1.33272081079489, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.771525586706, - "bs": 0.0, - "a2": null, - "a5": 119.247002036895, - "sidechain_LEU": null, - "chainIndex": 521, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1773, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.469656085978, - "psi": 131.447748464726, - "oldID": "523", - "bg": 30.61, - "sidechain_CYS": null, - "sidechain_ILE": 96, - "protein": "1TWF", - "zeta": 34.0141936049678, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1775, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 1772, - "terminal_flag": false, - "phi": -74.0374848456721, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.115183300834, - "chi2": 66.2008415688038, - "chi3": null, - "chi1": -65.4169256470247, - "chi4": null, - "chi5": null, - "a1": 122.388902795527, - "L4": 1.5264416064751, - "L5": 1.23028435548292, - "L2": 1.4649339006469, - "L3": 1.56522859489863, - "a7": 122.594490975494, - "L1": 1.33360289772798, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.126671095387, - "bs": 32.0, - "a2": 112.080723614863, - "a5": 120.89090110957, - "sidechain_LEU": null, - "chainIndex": 522, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.024159138251 - } -}, -{ - "pk": 1774, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.352363910843, - "psi": -32.2210723533182, - "oldID": "735", - "bg": 17.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0683533938096, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1776, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1771, - "terminal_flag": false, - "phi": -79.9395916720281, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.194325861956, - "chi2": -129.086620515132, - "chi3": 162.87942987979, - "chi1": -55.1442368518583, - "chi4": -177.733137241901, - "chi5": -1.36308030107295, - "a1": 120.126061579305, - "L4": 1.52373115846132, - "L5": 1.23246297357441, - "L2": 1.45235899388781, - "L3": 1.5174306307705, - "a7": 123.076337352798, - "L1": 1.3269359314329, - "sidechain_ARG": 89, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 113.621664541186, - "bs": 15.0, - "a2": 109.319303358805, - "a5": 121.571297934861, - "sidechain_LEU": null, - "chainIndex": 734, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.116074603426 - } -}, -{ - "pk": 1775, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.105098165616, - "psi": -172.145984798847, - "oldID": "524", - "bg": 29.24, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0290921052394, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 120, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1777, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1773, - "terminal_flag": false, - "phi": -123.564194042468, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.160577044165, - "chi2": null, - "chi3": null, - "chi1": -52.4679104488746, - "chi4": null, - "chi5": null, - "a1": 121.266479551612, - "L4": 1.54600658933818, - "L5": 1.23230837745292, - "L2": 1.45535583184709, - "L3": 1.55052722541806, - "a7": 122.811854437316, - "L1": 1.32738657201984, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.711575789802, - "bs": 34.0, - "a2": 108.387125983057, - "a5": 121.08144208925, - "sidechain_LEU": null, - "chainIndex": 523, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.011666828702 - } -}, -{ - "pk": 1776, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.054677941164, - "psi": 106.606847148417, - "oldID": "736", - "bg": 16.88, - "sidechain_CYS": null, - "sidechain_ILE": 97, - "protein": "1H0H", - "zeta": 34.2646272715487, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1778, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1774, - "terminal_flag": false, - "phi": -116.436396909349, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.773800962213, - "chi2": 169.113051161834, - "chi3": null, - "chi1": -73.3057833580061, - "chi4": null, - "chi5": null, - "a1": 121.459917892116, - "L4": 1.51178018250462, - "L5": 1.23257482103653, - "L2": 1.44404622694518, - "L3": 1.52669372143973, - "a7": 122.405608643687, - "L1": 1.32187919300767, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 105.294561923111, - "bs": 15.0, - "a2": 110.599222814478, - "a5": 119.528997247744, - "sidechain_LEU": null, - "chainIndex": 735, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.654891473552 - } -}, -{ - "pk": 1777, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.14416349376, - "psi": -112.690446675306, - "oldID": "525", - "bg": 36.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8282915446736, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1779, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 1775, - "terminal_flag": false, - "phi": 20.4484085616986, - "chainID": "A", - "sidechain_GLN": 69, - "ome": -176.553646799245, - "chi2": -112.528613235755, - "chi3": -58.9154761551164, - "chi1": -49.4720257904419, - "chi4": null, - "chi5": null, - "a1": 124.167212295704, - "L4": 1.54139792517551, - "L5": 1.23142211019854, - "L2": 1.47659803620061, - "L3": 1.5270213534228, - "a7": 122.916301588381, - "L1": 1.33325569190596, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 120.225715499829, - "bs": 36.0, - "a2": 109.904896046628, - "a5": 120.936180405598, - "sidechain_LEU": null, - "chainIndex": 524, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.664249828536 - } -}, -{ - "pk": 1778, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.225106570268, - "psi": 159.214985175183, - "oldID": "737", - "bg": 15.49, - "sidechain_CYS": null, - "sidechain_ILE": 98, - "protein": "1H0H", - "zeta": 30.5790387168537, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1780, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1776, - "terminal_flag": false, - "phi": -74.1593561102401, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.578469297208, - "chi2": 170.38797900805, - "chi3": null, - "chi1": 48.4075154743014, - "chi4": null, - "chi5": null, - "a1": 119.686666292144, - "L4": 1.52909812624874, - "L5": 1.23114516826399, - "L2": 1.4600206123446, - "L3": 1.5531894236223, - "a7": 123.687159951418, - "L1": 1.33578793646, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.24040183311, - "bs": 15.0, - "a2": 113.442365299901, - "a5": 121.038441260823, - "sidechain_LEU": null, - "chainIndex": 736, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.197647518547 - } -}, -{ - "pk": 1779, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 108, - "a6": 116.273565444499, - "psi": -58.293543809655, - "oldID": "526", - "bg": 34.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1927849756143, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1781, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1777, - "terminal_flag": false, - "phi": -56.7353999857667, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.520466347996, - "chi2": -27.9415326168458, - "chi3": null, - "chi1": -60.5963422278154, - "chi4": null, - "chi5": null, - "a1": 121.832819862564, - "L4": 1.51078577393806, - "L5": 1.21636474956436, - "L2": 1.46461119087732, - "L3": 1.54173961242187, - "a7": 122.577253672121, - "L1": 1.33322138492925, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.605492840313, - "bs": 35.0, - "a2": 112.066788355806, - "a5": 121.149168110936, - "sidechain_LEU": null, - "chainIndex": 525, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.129295371157 - } -}, -{ - "pk": 1780, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.430549779844, - "psi": 18.6374733147166, - "oldID": "738", - "bg": 14.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2602617338473, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1784, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 1778, - "terminal_flag": false, - "phi": 68.0608809894416, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.000168021137, - "chi2": -52.113518979541, - "chi3": null, - "chi1": -43.0428848718004, - "chi4": null, - "chi5": null, - "a1": 123.3152804424, - "L4": 1.54844418012492, - "L5": 1.23080209207669, - "L2": 1.45317461794957, - "L3": 1.53974131220997, - "a7": 122.435087143709, - "L1": 1.33242965088744, - "sidechain_ARG": null, - "sidechain_TYR": 59, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.260965248061, - "bs": 15.0, - "a2": 110.440266827918, - "a5": 120.134335872573, - "sidechain_LEU": null, - "chainIndex": 737, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.026296442784 - } -}, -{ - "pk": 1781, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.997686275519, - "psi": -39.2178376223404, - "oldID": "527", - "bg": 34.39, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2914976179255, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 92, - "sidechain_TRP": null, - "next": 1782, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1779, - "terminal_flag": false, - "phi": -50.79687694358, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.105299037075, - "chi2": null, - "chi3": null, - "chi1": -35.5615303703853, - "chi4": null, - "chi5": null, - "a1": 120.809351864759, - "L4": 1.51640163711897, - "L5": 1.22556322878078, - "L2": 1.43889298642277, - "L3": 1.48226743535017, - "a7": 122.290044360343, - "L1": 1.31823422068029, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.211135202031, - "bs": 31.0, - "a2": 110.243853095082, - "a5": 120.694779822311, - "sidechain_LEU": null, - "chainIndex": 526, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.99929013829 - } -}, -{ - "pk": 1782, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.149658176732, - "psi": -46.6359303990988, - "oldID": "528", - "bg": 32.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.5672126678992, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1783, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1781, - "terminal_flag": false, - "phi": -68.428436384471, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.963261367383, - "chi2": 54.1424367063349, - "chi3": null, - "chi1": 177.36321533589, - "chi4": null, - "chi5": null, - "a1": 119.928337050908, - "L4": 1.53115566746014, - "L5": 1.23030434232217, - "L2": 1.45042098961849, - "L3": 1.53593976988042, - "a7": 123.114175308534, - "L1": 1.32197245540937, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.509794803832, - "bs": 31.0, - "a2": 110.847170432373, - "a5": 119.696723909574, - "sidechain_LEU": 142, - "chainIndex": 527, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.177154426786 - } -}, -{ - "pk": 1783, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.037726488587, - "psi": -45.6040956381097, - "oldID": "529", - "bg": 36.34, - "sidechain_CYS": 32, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4931992372358, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1785, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1782, - "terminal_flag": false, - "phi": -65.4207104945425, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.790608113865, - "chi2": null, - "chi3": null, - "chi1": 175.03456208702, - "chi4": null, - "chi5": null, - "a1": 122.688722786728, - "L4": 1.51811649242511, - "L5": 1.22820315539303, - "L2": 1.46838222024898, - "L3": 1.53252237628553, - "a7": 122.895321077759, - "L1": 1.33751597567299, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.981903373104, - "bs": 34.0, - "a2": 110.836392273235, - "a5": 121.054957897077, - "sidechain_LEU": null, - "chainIndex": 528, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.901863832118 - } -}, -{ - "pk": 1784, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 77, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.98073383461, - "psi": -13.8683505007755, - "oldID": "739", - "bg": 15.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 29.3605848790839, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1786, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1780, - "terminal_flag": false, - "phi": -64.5808903663266, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.988688464987, - "chi2": 33.4639495852603, - "chi3": null, - "chi1": 61.8173768228897, - "chi4": null, - "chi5": null, - "a1": 120.488381955964, - "L4": 1.52607699820964, - "L5": 1.21719919689479, - "L2": 1.45822838543746, - "L3": 1.53321149695169, - "a7": 121.881097366217, - "L1": 1.33516403408079, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 116.507676448271, - "bs": 15.0, - "a2": 112.185993993694, - "a5": 120.13529036165, - "sidechain_LEU": null, - "chainIndex": 738, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.38110129983 - } -}, -{ - "pk": 1785, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.534586491747, - "psi": -27.9754043270268, - "oldID": "530", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1787, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 1783, - "terminal_flag": false, - "phi": -68.5557760743962, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.679567343802, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.721953452692, - "L4": 1.52224331240362, - "L5": 1.23158487316885, - "L2": 1.44518632648665, - "L3": null, - "a7": 121.984689097427, - "L1": 1.32401713103924, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.95205293738, - "bs": 0.0, - "a2": null, - "a5": 119.473988209804, - "sidechain_LEU": null, - "chainIndex": 529, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1786, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.311194582657, - "psi": -23.895546366138, - "oldID": "740", - "bg": 14.29, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5533397822258, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1788, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1784, - "terminal_flag": false, - "phi": -63.5700189195463, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.825833959736, - "chi2": 177.540071330523, - "chi3": 58.3494829859958, - "chi1": -64.4693268188395, - "chi4": 95.4836140074816, - "chi5": 1.282368043137, - "a1": 118.680637998618, - "L4": 1.5293815223599, - "L5": 1.23258672591241, - "L2": 1.46262969949054, - "L3": 1.53454249126865, - "a7": 122.224851278192, - "L1": 1.33353013059407, - "sidechain_ARG": 90, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 110.52652143848, - "bs": 14.0, - "a2": 112.235949968861, - "a5": 120.461896808582, - "sidechain_LEU": null, - "chainIndex": 739, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.789647620137 - } -}, -{ - "pk": 1787, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.122225161433, - "psi": -32.4136623269491, - "oldID": "531", - "bg": 41.51, - "sidechain_CYS": null, - "sidechain_ILE": 99, - "protein": "1TWF", - "zeta": 32.7444260447873, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1789, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 1785, - "terminal_flag": false, - "phi": -72.331394233303, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.701180690038, - "chi2": 166.039790539237, - "chi3": null, - "chi1": -156.256558288245, - "chi4": null, - "chi5": null, - "a1": 119.029807756679, - "L4": 1.52002963099661, - "L5": 1.23251142460817, - "L2": 1.46730778255905, - "L3": 1.56405458201145, - "a7": 123.12467774516, - "L1": 1.3333629392139, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.055246872822, - "bs": 41.0, - "a2": 112.525800705486, - "a5": 120.732858459009, - "sidechain_LEU": null, - "chainIndex": 530, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.003483507766 - } -}, -{ - "pk": 1788, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.548051365875, - "psi": -6.62483368364827, - "oldID": "741", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5718939878158, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1790, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1786, - "terminal_flag": false, - "phi": -78.2120196814576, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.615088073218, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.962179242481, - "L4": 1.54030651470874, - "L5": 1.23425353118376, - "L2": 1.46937276774268, - "L3": 1.54022861906149, - "a7": 122.802493302633, - "L1": 1.33100541402433, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 113.631238483081, - "bs": 13.0, - "a2": 109.934567181503, - "a5": 120.609255889615, - "sidechain_LEU": null, - "chainIndex": 740, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.583455614351 - } -}, -{ - "pk": 1789, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.48745865652, - "psi": -41.1136754077596, - "oldID": "532", - "bg": 45.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7948368101542, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1791, - "sidechain_SER": null, - "bm": 44.0, - "xpr": false, - "prev": 1787, - "terminal_flag": false, - "phi": -68.0401307273844, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.68207071188, - "chi2": -164.969497784541, - "chi3": 162.298928324308, - "chi1": 170.132698007985, - "chi4": -87.2639772570243, - "chi5": -0.37072033424067, - "a1": 120.66893149622, - "L4": 1.52514508176171, - "L5": 1.22768233446444, - "L2": 1.44952176259459, - "L3": 1.52449386744592, - "a7": 122.542981764097, - "L1": 1.32852868819712, - "sidechain_ARG": 91, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.566427102311, - "bs": 53.0, - "a2": 111.271304605655, - "a5": 120.942015042011, - "sidechain_LEU": null, - "chainIndex": 531, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.240230347877 - } -}, -{ - "pk": 1790, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.538473599899, - "psi": -3.67542565673054, - "oldID": "742", - "bg": 16.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4025446664279, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1792, - "sidechain_SER": 92, - "bm": 14.0, - "xpr": false, - "prev": 1788, - "terminal_flag": false, - "phi": -82.0451101536891, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.640532646457, - "chi2": null, - "chi3": null, - "chi1": 66.5544414573462, - "chi4": null, - "chi5": null, - "a1": 122.299352171428, - "L4": 1.5403083967381, - "L5": 1.22711954782177, - "L2": 1.47916340929255, - "L3": 1.53032998448453, - "a7": 123.295494269157, - "L1": 1.3319887175058, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.764108902308, - "bs": 15.0, - "a2": 111.09816159121, - "a5": 120.125448379059, - "sidechain_LEU": null, - "chainIndex": 741, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.998032694196 - } -}, -{ - "pk": 1791, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.099704075559, - "psi": -41.5611377663637, - "oldID": "533", - "bg": 50.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0421823117149, - "sidechain_PHE": null, - "sidechain_LYS": 122, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1793, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 1789, - "terminal_flag": false, - "phi": -66.59423492158, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.516521955386, - "chi2": -173.262832707055, - "chi3": 72.1127026994231, - "chi1": -58.6171487516165, - "chi4": -134.247276084944, - "chi5": null, - "a1": 120.032948338407, - "L4": 1.5171271512571, - "L5": 1.22714674666789, - "L2": 1.4484932342103, - "L3": 1.52440738991533, - "a7": 122.986599495636, - "L1": 1.32463979975033, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.681451337992, - "bs": 52.0, - "a2": 110.226217866241, - "a5": 120.888442553113, - "sidechain_LEU": null, - "chainIndex": 532, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.316757353075 - } -}, -{ - "pk": 1792, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.945253420367, - "psi": 161.904756092613, - "oldID": "743", - "bg": 15.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.099329973591, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 121, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1794, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1790, - "terminal_flag": false, - "phi": -123.941234791917, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.321018992977, - "chi2": null, - "chi3": null, - "chi1": -58.5013074286208, - "chi4": null, - "chi5": null, - "a1": 123.181214088291, - "L4": 1.52576005357633, - "L5": 1.22449226689188, - "L2": 1.46749905163636, - "L3": 1.54139671950968, - "a7": 122.306197352227, - "L1": 1.32472788558912, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 111.290389376636, - "bs": 15.0, - "a2": 112.261935242693, - "a5": 120.746766372668, - "sidechain_LEU": null, - "chainIndex": 742, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.947354457066 - } -}, -{ - "pk": 1793, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.748138957968, - "psi": -38.5620887999574, - "oldID": "534", - "bg": 41.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7454716414399, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1797, - "sidechain_SER": null, - "bm": 44.0, - "xpr": false, - "prev": 1791, - "terminal_flag": false, - "phi": -57.8037478904992, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.549242820984, - "chi2": 67.39240033218, - "chi3": null, - "chi1": -179.492827753325, - "chi4": null, - "chi5": null, - "a1": 121.229332941766, - "L4": 1.53943231927586, - "L5": 1.2283188887604, - "L2": 1.4519702785143, - "L3": 1.53009836891508, - "a7": 123.128088094657, - "L1": 1.32469313809351, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.910051375609, - "bs": 40.0, - "a2": 109.506486103935, - "a5": 120.101632551198, - "sidechain_LEU": 143, - "chainIndex": 533, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.35152844601 - } -}, -{ - "pk": 1794, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 109, - "a6": 116.94617779317, - "psi": -177.526949661427, - "oldID": "744", - "bg": 18.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.9507769932736, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1795, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1792, - "terminal_flag": false, - "phi": -78.9067317659665, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.689486155043, - "chi2": 18.4605654288978, - "chi3": null, - "chi1": 66.3737419372071, - "chi4": null, - "chi5": null, - "a1": 120.111858110094, - "L4": 1.52917178847753, - "L5": 1.2410333265634, - "L2": 1.44973250138183, - "L3": 1.53030548350116, - "a7": 122.471949378421, - "L1": 1.33557263411328, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.376857820274, - "bs": 18.0, - "a2": 111.860651605043, - "a5": 120.572851241328, - "sidechain_LEU": null, - "chainIndex": 743, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.072807542766 - } -}, -{ - "pk": 1795, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.247864360375, - "psi": -23.4515217824262, - "oldID": "745", - "bg": 15.98, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7907336013952, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1796, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1794, - "terminal_flag": false, - "phi": -60.5812962987144, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.792152258737, - "chi2": 179.41604628349, - "chi3": null, - "chi1": -64.0065092972762, - "chi4": null, - "chi5": null, - "a1": 120.300501286068, - "L4": 1.52882956815086, - "L5": 1.22625159581697, - "L2": 1.44822020932246, - "L3": 1.53518036254034, - "a7": 123.200450964152, - "L1": 1.3328602778536, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.967596610383, - "bs": 15.0, - "a2": 111.494178515659, - "a5": 120.533537586915, - "sidechain_LEU": 144, - "chainIndex": 744, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.785115084496 - } -}, -{ - "pk": 1796, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 78, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.07254396504, - "psi": -9.51539934010219, - "oldID": "746", - "bg": 18.39, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4478859689282, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1798, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1795, - "terminal_flag": false, - "phi": -87.3316827978554, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.947640387397, - "chi2": -38.1922394620747, - "chi3": null, - "chi1": -62.2428020500233, - "chi4": null, - "chi5": null, - "a1": 121.771606766078, - "L4": 1.53677715372651, - "L5": 1.24215349302872, - "L2": 1.45492771714622, - "L3": 1.54146558355569, - "a7": 122.153028280537, - "L1": 1.32815387619166, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.1762090708, - "bs": 18.0, - "a2": 109.562899362938, - "a5": 120.774362567802, - "sidechain_LEU": null, - "chainIndex": 745, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.037658773943 - } -}, -{ - "pk": 1797, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.280220499466, - "psi": -10.3790878187823, - "oldID": "535", - "bg": 51.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5842625613707, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 93, - "sidechain_TRP": null, - "next": 1799, - "sidechain_SER": null, - "bm": 47.0, - "xpr": false, - "prev": 1793, - "terminal_flag": false, - "phi": -80.2098313824341, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.59342060669, - "chi2": null, - "chi3": null, - "chi1": -29.6580548368086, - "chi4": null, - "chi5": null, - "a1": 123.85578315795, - "L4": 1.53142366898701, - "L5": 1.23534009503142, - "L2": 1.47117246546139, - "L3": 1.54425905148091, - "a7": 122.859082094262, - "L1": 1.33265849325453, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 118.471556948932, - "bs": 51.0, - "a2": 110.459816443162, - "a5": 120.842951133247, - "sidechain_LEU": null, - "chainIndex": 534, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.099264413576 - } -}, -{ - "pk": 1798, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.305553691081, - "psi": 12.8148623500502, - "oldID": "747", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1800, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1796, - "terminal_flag": false, - "phi": 97.0665626194748, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.336367015231, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.87693237518, - "L4": 1.52211865780416, - "L5": 1.21516970537438, - "L2": 1.45137663760966, - "L3": null, - "a7": 122.19330197886, - "L1": 1.33264621025595, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.177881798169, - "bs": 0.0, - "a2": null, - "a5": 120.471812145046, - "sidechain_LEU": null, - "chainIndex": 746, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1799, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.604853255613, - "psi": 145.188371539917, - "oldID": "536", - "bg": 50.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.0571163944823, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1801, - "sidechain_SER": null, - "bm": 49.0, - "xpr": false, - "prev": 1797, - "terminal_flag": false, - "phi": -60.8343410875156, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.351584789269, - "chi2": 171.442883269086, - "chi3": null, - "chi1": -66.3866170301776, - "chi4": null, - "chi5": null, - "a1": 122.011771933506, - "L4": 1.52690980440763, - "L5": 1.22928442861521, - "L2": 1.45475117795357, - "L3": 1.52349865925598, - "a7": 122.888577395756, - "L1": 1.32485847477159, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.784539820324, - "bs": 49.0, - "a2": 109.248409834594, - "a5": 119.506242937998, - "sidechain_LEU": 145, - "chainIndex": 535, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.126557622387 - } -}, -{ - "pk": 1800, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.380502346775, - "psi": 129.968221053828, - "oldID": "748", - "bg": 20.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.8942822127117, - "sidechain_PHE": null, - "sidechain_LYS": 123, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1803, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1798, - "terminal_flag": false, - "phi": -94.6004541914727, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.668471845069, - "chi2": -171.740218259741, - "chi3": -169.816928767544, - "chi1": -177.557704939997, - "chi4": 57.998044720052, - "chi5": null, - "a1": 120.207915003092, - "L4": 1.52457313038499, - "L5": 1.20363803753109, - "L2": 1.46408390257167, - "L3": 1.51301676568622, - "a7": 121.815093964611, - "L1": 1.32696670257034, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.476783053429, - "bs": 24.0, - "a2": 108.356692998206, - "a5": 119.798163279119, - "sidechain_LEU": null, - "chainIndex": 747, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.414211555474 - } -}, -{ - "pk": 1801, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.72016489899, - "psi": -51.7553576237254, - "oldID": "537", - "bg": 53.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9859176070862, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1802, - "sidechain_SER": null, - "bm": 51.0, - "xpr": false, - "prev": 1799, - "terminal_flag": false, - "phi": -54.4420537778201, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.638015093307, - "chi2": -158.572076372178, - "chi3": -147.882938068495, - "chi1": -68.3970358348845, - "chi4": -72.4339625109482, - "chi5": -0.164661487995094, - "a1": 121.412129911574, - "L4": 1.52235872074341, - "L5": 1.22786660659227, - "L2": 1.47113231083133, - "L3": 1.54078819291324, - "a7": 122.84816925712, - "L1": 1.33644356871362, - "sidechain_ARG": 92, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.061478647073, - "bs": 54.0, - "a2": 112.594714818573, - "a5": 120.428484896492, - "sidechain_LEU": null, - "chainIndex": 536, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.824422128657 - } -}, -{ - "pk": 1802, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 110, - "a6": 117.474247854109, - "psi": -10.3825893775832, - "oldID": "538", - "bg": 58.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5940820650727, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1805, - "sidechain_SER": null, - "bm": 49.0, - "xpr": false, - "prev": 1801, - "terminal_flag": false, - "phi": -55.9255240241652, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.913606863565, - "chi2": -29.7597343756388, - "chi3": null, - "chi1": -69.334797456086, - "chi4": null, - "chi5": null, - "a1": 120.776794072026, - "L4": 1.5011260636305, - "L5": 1.22067217611181, - "L2": 1.45905201275514, - "L3": 1.52640754755279, - "a7": 122.35707832606, - "L1": 1.33067211490217, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.68777010674, - "bs": 58.0, - "a2": 111.664623049614, - "a5": 120.165824992666, - "sidechain_LEU": null, - "chainIndex": 537, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.554511958049 - } -}, -{ - "pk": 1803, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 96, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.136361024213, - "psi": 136.245020301859, - "oldID": "749", - "bg": 16.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.2609886952772, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1804, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1800, - "terminal_flag": false, - "phi": -56.2544494879415, - "chainID": "A", - "sidechain_GLN": null, - "ome": 172.993998001559, - "chi2": 38.5888682859797, - "chi3": -33.9799100195887, - "chi1": -27.3220441235265, - "chi4": 16.608561886644, - "chi5": null, - "a1": 121.323785801918, - "L4": 1.52130750527181, - "L5": 1.23426271046861, - "L2": 1.47326393152732, - "L3": 1.53553224895664, - "a7": 124.008445261823, - "L1": 1.32439726263847, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -0.554690011135569, - "ss": "B", - "a3": 115.949444306354, - "bs": 16.0, - "a2": 102.861541513992, - "a5": 119.852075772265, - "sidechain_LEU": null, - "chainIndex": 748, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.415237840156 - } -}, -{ - "pk": 1804, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.981063313747, - "psi": -29.6489072458662, - "oldID": "750", - "bg": 17.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.6553526714948, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1806, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1803, - "terminal_flag": false, - "phi": -71.1491817102467, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.015819751318, - "chi2": -46.1790038653375, - "chi3": null, - "chi1": -76.5713344235318, - "chi4": null, - "chi5": null, - "a1": 122.629620001143, - "L4": 1.53378659297092, - "L5": 1.23609806142484, - "L2": 1.45970807540665, - "L3": 1.52320459776232, - "a7": 123.028965641306, - "L1": 1.33414046850818, - "sidechain_ARG": null, - "sidechain_TYR": 60, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.660183390058, - "bs": 18.0, - "a2": 110.446333057707, - "a5": 119.966217624967, - "sidechain_LEU": null, - "chainIndex": 749, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.957327028483 - } -}, -{ - "pk": 1805, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.289280545596, - "psi": 108.90872919996, - "oldID": "539", - "bg": 45.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9275441820598, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 94, - "sidechain_TRP": null, - "next": 1807, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 1802, - "terminal_flag": false, - "phi": -84.8052516124557, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.649153197155, - "chi2": null, - "chi3": null, - "chi1": -58.2717542449805, - "chi4": null, - "chi5": null, - "a1": 118.261231904006, - "L4": 1.51718232809815, - "L5": 1.23179363561172, - "L2": 1.44625867876348, - "L3": 1.5106197117699, - "a7": 123.579962626803, - "L1": 1.32115158294494, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.453384422341, - "bs": 44.0, - "a2": 111.360765991906, - "a5": 121.124894002045, - "sidechain_LEU": null, - "chainIndex": 538, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.313483315175 - } -}, -{ - "pk": 1806, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.930181406972, - "psi": 82.9069838221585, - "oldID": "751", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7330946934635, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1808, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1804, - "terminal_flag": false, - "phi": -122.665259659205, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.723130159402, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.433044544277, - "L4": 1.53635913390653, - "L5": 1.2281534082249, - "L2": 1.46851112390649, - "L3": 1.54901041488258, - "a7": 122.454287662255, - "L1": 1.33594421610183, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.929051018949, - "bs": 16.0, - "a2": 110.614625443404, - "a5": 121.604477138158, - "sidechain_LEU": null, - "chainIndex": 750, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.718440533391 - } -}, -{ - "pk": 1807, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.48918760962, - "psi": 156.543893412001, - "oldID": "540", - "bg": 41.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9441321297284, - "sidechain_PHE": 65, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1809, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 1805, - "terminal_flag": false, - "phi": -121.286935099206, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.618601278875, - "chi2": -79.3263055178174, - "chi3": null, - "chi1": -62.3702713839212, - "chi4": null, - "chi5": null, - "a1": 122.365230888976, - "L4": 1.52754850340344, - "L5": 1.22717414777015, - "L2": 1.46027238280944, - "L3": 1.5311185948496, - "a7": 122.198776907725, - "L1": 1.33006576385497, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.983080333251, - "bs": 42.0, - "a2": 109.729666387449, - "a5": 120.309225918972, - "sidechain_LEU": null, - "chainIndex": 539, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.050660020993 - } -}, -{ - "pk": 1808, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 97, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.54444314676, - "psi": -29.9027301162971, - "oldID": "752", - "bg": 18.97, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.6530898877271, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1810, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1806, - "terminal_flag": false, - "phi": -56.1987859346122, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.039997476353, - "chi2": 4.56764110071816, - "chi3": -3.82485050981093, - "chi1": -3.45688396672876, - "chi4": 1.57945474170668, - "chi5": null, - "a1": 122.253113757504, - "L4": 1.52439520817521, - "L5": 1.23388302598265, - "L2": 1.46744424747709, - "L3": 1.55850989473389, - "a7": 122.83403722574, - "L1": 1.32713317094537, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 9.37535169788741, - "ss": "G", - "a3": 112.973336018655, - "bs": 19.0, - "a2": 104.553467408222, - "a5": 119.619112442176, - "sidechain_LEU": null, - "chainIndex": 751, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.4874689141 - } -}, -{ - "pk": 1809, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.566604743562, - "psi": 140.805099829974, - "oldID": "541", - "bg": 53.73, - "sidechain_CYS": null, - "sidechain_ILE": 100, - "protein": "1TWF", - "zeta": 34.8921622350104, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1811, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 1807, - "terminal_flag": false, - "phi": -135.620291106157, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.469288965537, - "chi2": 92.8182045556578, - "chi3": null, - "chi1": -51.0483059509304, - "chi4": null, - "chi5": null, - "a1": 119.840237691295, - "L4": 1.51719526401379, - "L5": 1.22889353107605, - "L2": 1.46180929787059, - "L3": 1.54017979622371, - "a7": 122.661041342091, - "L1": 1.3285573029866, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.543889084927, - "bs": 53.0, - "a2": 112.407015736902, - "a5": 120.744846591378, - "sidechain_LEU": null, - "chainIndex": 540, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.787362387067 - } -}, -{ - "pk": 1810, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.355145522367, - "psi": -14.7628063359666, - "oldID": "753", - "bg": 25.8, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1664082575901, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1812, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1808, - "terminal_flag": false, - "phi": -76.7919867725675, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.803320526537, - "chi2": -175.81251793514, - "chi3": 38.4860100787797, - "chi1": -60.7706471563215, - "chi4": null, - "chi5": null, - "a1": 121.439055349564, - "L4": 1.52433671185303, - "L5": 1.22366401882555, - "L2": 1.46133001236189, - "L3": 1.5304110908703, - "a7": 122.178884765988, - "L1": 1.32570478158166, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 124, - "omep": null, - "ss": "G", - "a3": 112.873835725605, - "bs": 27.0, - "a2": 111.085633576819, - "a5": 120.460351684282, - "sidechain_LEU": null, - "chainIndex": 752, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.257303905468 - } -}, -{ - "pk": 1811, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.007005865018, - "psi": 155.20330625066, - "oldID": "542", - "bg": 66.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1508640065787, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1813, - "sidechain_SER": null, - "bm": 58.0, - "xpr": false, - "prev": 1809, - "terminal_flag": false, - "phi": -84.7860016828487, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.934450901814, - "chi2": 168.149789186349, - "chi3": 70.8876322461206, - "chi1": -47.2608882057856, - "chi4": null, - "chi5": null, - "a1": 120.26540379348, - "L4": 1.52991624189065, - "L5": 1.22839206985393, - "L2": 1.45047367627284, - "L3": 1.52440813476646, - "a7": 123.11871456854, - "L1": 1.32519101145046, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 125, - "omep": null, - "ss": "E", - "a3": 112.934790922399, - "bs": 68.0, - "a2": 109.254821117114, - "a5": 120.874065583819, - "sidechain_LEU": null, - "chainIndex": 541, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.72084511953 - } -}, -{ - "pk": 1812, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.954041945341, - "psi": 46.9157748212359, - "oldID": "754", - "bg": 17.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0706393573914, - "sidechain_PHE": null, - "sidechain_LYS": 124, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1814, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1810, - "terminal_flag": false, - "phi": -146.476574891066, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.298551358107, - "chi2": -169.694091600926, - "chi3": 171.617153645483, - "chi1": 48.4205635049149, - "chi4": -168.112186188228, - "chi5": null, - "a1": 119.549149122439, - "L4": 1.52450100290251, - "L5": 1.23446516720705, - "L2": 1.45222300334941, - "L3": 1.5450868101267, - "a7": 123.289424232258, - "L1": 1.3298603426939, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 108.889548420071, - "bs": 17.0, - "a2": 111.387239299093, - "a5": 121.72671749084, - "sidechain_LEU": null, - "chainIndex": 753, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.130405357111 - } -}, -{ - "pk": 1813, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.562631327958, - "psi": -51.775999626964, - "oldID": "543", - "bg": 58.89, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3016301765598, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1815, - "sidechain_SER": null, - "bm": 59.0, - "xpr": false, - "prev": 1811, - "terminal_flag": false, - "phi": -38.7089600093915, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.688270997472, - "chi2": 63.0140697906732, - "chi3": null, - "chi1": 166.72825048872, - "chi4": null, - "chi5": null, - "a1": 122.633101832807, - "L4": 1.5275434717932, - "L5": 1.23267825757202, - "L2": 1.46169381109721, - "L3": 1.52924897141381, - "a7": 122.928122843533, - "L1": 1.33179875885792, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.415851974588, - "bs": 59.0, - "a2": 109.872288355438, - "a5": 120.507148730372, - "sidechain_LEU": 146, - "chainIndex": 542, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.060208373911 - } -}, -{ - "pk": 1814, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.805153044648, - "psi": 145.634516243078, - "oldID": "755", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9091640787139, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1816, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1812, - "terminal_flag": false, - "phi": -61.8414087437848, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.457447319543, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.342375099319, - "L4": 1.52681172322026, - "L5": 1.24307118302968, - "L2": 1.4589706374268, - "L3": 1.54407507156106, - "a7": 123.086414040691, - "L1": 1.32865561513535, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.994308763529, - "bs": 16.0, - "a2": 109.598872082546, - "a5": 121.0992932456, - "sidechain_LEU": null, - "chainIndex": 754, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.859551756198 - } -}, -{ - "pk": 1815, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 111, - "a6": 116.430147761331, - "psi": -45.6030185786995, - "oldID": "544", - "bg": 63.72, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.7965403584742, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1817, - "sidechain_SER": null, - "bm": 59.0, - "xpr": false, - "prev": 1813, - "terminal_flag": false, - "phi": -46.9446410017117, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.629433949189, - "chi2": -46.4300859787186, - "chi3": null, - "chi1": 72.64590125457, - "chi4": null, - "chi5": null, - "a1": 122.41290665402, - "L4": 1.52320491528676, - "L5": 1.23359550711137, - "L2": 1.46426885286968, - "L3": 1.54010153322328, - "a7": 122.853613701141, - "L1": 1.33162410465807, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.747714077872, - "bs": 63.0, - "a2": 110.402275961784, - "a5": 120.713226050689, - "sidechain_LEU": null, - "chainIndex": 543, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.886406454669 - } -}, -{ - "pk": 1816, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.309526736855, - "psi": -54.2214569206005, - "oldID": "756", - "bg": 14.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8735645809512, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 122, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1819, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1814, - "terminal_flag": false, - "phi": -99.8956435553036, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.785667937125, - "chi2": null, - "chi3": null, - "chi1": 179.51009840971, - "chi4": null, - "chi5": null, - "a1": 121.792110366854, - "L4": 1.51611521780735, - "L5": 1.22918388417793, - "L2": 1.45129967158707, - "L3": 1.53265972377952, - "a7": 123.980434481152, - "L1": 1.33217467852452, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.762514715898, - "bs": 15.0, - "a2": 112.298235294713, - "a5": 119.686643604814, - "sidechain_LEU": null, - "chainIndex": 755, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.527452038904 - } -}, -{ - "pk": 1817, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.544395206117, - "psi": -38.0832947300073, - "oldID": "545", - "bg": 58.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.562852858448, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1818, - "sidechain_SER": null, - "bm": 55.0, - "xpr": false, - "prev": 1815, - "terminal_flag": false, - "phi": -83.3203025158813, - "chainID": "A", - "sidechain_GLN": 70, - "ome": 178.670366313574, - "chi2": 171.516630376478, - "chi3": 53.632622005151, - "chi1": -165.686320356313, - "chi4": null, - "chi5": null, - "a1": 120.361909736594, - "L4": 1.52939530110201, - "L5": 1.22981116959219, - "L2": 1.44711965079015, - "L3": 1.52524344795622, - "a7": 122.67877508233, - "L1": 1.32558911711483, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.416868775313, - "bs": 59.0, - "a2": 110.359645871773, - "a5": 119.776056514219, - "sidechain_LEU": null, - "chainIndex": 544, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.268419742301 - } -}, -{ - "pk": 1818, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.44937809547, - "psi": -41.1488441128707, - "oldID": "546", - "bg": 51.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6473873499607, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 123, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1820, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 1817, - "terminal_flag": false, - "phi": -54.4997756421633, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.426717073909, - "chi2": null, - "chi3": null, - "chi1": 179.867561087474, - "chi4": null, - "chi5": null, - "a1": 120.648625276779, - "L4": 1.52851221342242, - "L5": 1.22881390459361, - "L2": 1.45639377699876, - "L3": 1.5463492120536, - "a7": 122.020351034358, - "L1": 1.33050345497352, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.44757034385, - "bs": 51.0, - "a2": 111.951265734289, - "a5": 120.522289688802, - "sidechain_LEU": null, - "chainIndex": 545, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.585154546189 - } -}, -{ - "pk": 1819, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.637779044619, - "psi": 157.596603259953, - "oldID": "757", - "bg": 16.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2233815039232, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 124, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1821, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1816, - "terminal_flag": false, - "phi": -131.77216229571, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.909034054538, - "chi2": null, - "chi3": null, - "chi1": -67.6619426122042, - "chi4": null, - "chi5": null, - "a1": 121.832373456871, - "L4": 1.52596713653532, - "L5": 1.23113758659746, - "L2": 1.45668375327636, - "L3": 1.55410274662687, - "a7": 123.201790285339, - "L1": 1.33508506127904, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.372623080142, - "bs": 16.0, - "a2": 113.52499579927, - "a5": 121.107330567349, - "sidechain_LEU": null, - "chainIndex": 756, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.632051938263 - } -}, -{ - "pk": 1820, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.596223095335, - "psi": -41.6301532065197, - "oldID": "547", - "bg": 50.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.6753163618306, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1822, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 1818, - "terminal_flag": false, - "phi": -63.2773581570138, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.108852443559, - "chi2": -174.633395160626, - "chi3": null, - "chi1": -65.6752999318435, - "chi4": null, - "chi5": null, - "a1": 119.182799365512, - "L4": 1.5128856244518, - "L5": 1.23180815488741, - "L2": 1.4563615688309, - "L3": 1.52232427371056, - "a7": 123.236665144826, - "L1": 1.32881472497375, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.20070675927, - "bs": 49.0, - "a2": 111.312135511284, - "a5": 120.165125058158, - "sidechain_LEU": 147, - "chainIndex": 546, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.570613881529 - } -}, -{ - "pk": 1821, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.989261428494, - "psi": 135.784865724407, - "oldID": "758", - "bg": 24.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4793206572048, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1823, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1819, - "terminal_flag": false, - "phi": -148.522211141154, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.584911498792, - "chi2": 164.197823394443, - "chi3": 44.960041040536, - "chi1": 179.881999203864, - "chi4": null, - "chi5": null, - "a1": 121.722917769411, - "L4": 1.53065685303479, - "L5": 1.23862975614967, - "L2": 1.43886841185065, - "L3": 1.52859456883181, - "a7": 122.362906892128, - "L1": 1.32870566265179, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 126, - "omep": null, - "ss": "E", - "a3": 108.824483790713, - "bs": 27.0, - "a2": 110.660713393094, - "a5": 121.647695480023, - "sidechain_LEU": null, - "chainIndex": 757, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.224768388218 - } -}, -{ - "pk": 1822, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 79, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.244479973488, - "psi": -44.132746359885, - "oldID": "548", - "bg": 48.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0155861152637, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1824, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 1820, - "terminal_flag": false, - "phi": -64.7981349491119, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.954143536086, - "chi2": -37.9917224346479, - "chi3": null, - "chi1": -100.046480829661, - "chi4": null, - "chi5": null, - "a1": 121.135720702123, - "L4": 1.53789272987066, - "L5": 1.23432840326166, - "L2": 1.45209208427466, - "L3": 1.53709698180859, - "a7": 123.04279836518, - "L1": 1.33013985879372, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.934413368817, - "bs": 47.0, - "a2": 110.421178986507, - "a5": 120.709457331734, - "sidechain_LEU": null, - "chainIndex": 547, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.788060049221 - } -}, -{ - "pk": 1823, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.628716640384, - "psi": 127.734791785314, - "oldID": "759", - "bg": 16.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9418812548806, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 31, - "next": 1825, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1821, - "terminal_flag": false, - "phi": -79.8669997870346, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.165322075926, - "chi2": -114.25854960702, - "chi3": null, - "chi1": 177.253186156961, - "chi4": null, - "chi5": null, - "a1": 120.303301826288, - "L4": 1.52057415661407, - "L5": 1.22417350250248, - "L2": 1.45744627517964, - "L3": 1.52450688272534, - "a7": 124.015845652817, - "L1": 1.31483813810176, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.947734835525, - "bs": 16.0, - "a2": 110.513348337465, - "a5": 121.326540660849, - "sidechain_LEU": null, - "chainIndex": 758, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.248270203738 - } -}, -{ - "pk": 1824, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.504180380228, - "psi": -48.1106746600994, - "oldID": "549", - "bg": 38.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2171862983889, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 46, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1826, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 1822, - "terminal_flag": false, - "phi": -61.6608008191855, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.94762925233, - "chi2": -157.10208926203, - "chi3": -101.026658025335, - "chi1": -71.642521629648, - "chi4": null, - "chi5": null, - "a1": 122.481633448994, - "L4": 1.51614837991703, - "L5": 1.23571861674755, - "L2": 1.45872478648509, - "L3": 1.53187659604926, - "a7": 123.34936466579, - "L1": 1.33244071773289, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.413520158589, - "bs": 40.0, - "a2": 110.849925099132, - "a5": 121.143091887746, - "sidechain_LEU": null, - "chainIndex": 548, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.932662936098 - } -}, -{ - "pk": 1825, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 80, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.599674064805, - "psi": 99.2088083976018, - "oldID": "760", - "bg": 19.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.105255079872, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1827, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1823, - "terminal_flag": false, - "phi": -99.3846586952622, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.97187242284, - "chi2": -36.6421311711681, - "chi3": null, - "chi1": -176.66039257994, - "chi4": null, - "chi5": null, - "a1": 123.874999639617, - "L4": 1.52681197480047, - "L5": 1.23846873639367, - "L2": 1.46045806875249, - "L3": 1.54110530555987, - "a7": 122.324255999456, - "L1": 1.3236885175109, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.055337335234, - "bs": 20.0, - "a2": 110.521003758327, - "a5": 120.072277371132, - "sidechain_LEU": null, - "chainIndex": 759, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.176482004453 - } -}, -{ - "pk": 1826, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.305298186628, - "psi": -51.7821305809926, - "oldID": "550", - "bg": 34.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0665434754664, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1828, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 1824, - "terminal_flag": false, - "phi": -56.1723143862248, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.165705267678, - "chi2": 170.665753367129, - "chi3": null, - "chi1": -80.6217126561999, - "chi4": null, - "chi5": null, - "a1": 120.829648551751, - "L4": 1.52012317148688, - "L5": 1.22161989260217, - "L2": 1.44429581309395, - "L3": 1.54230849493273, - "a7": 122.256684745405, - "L1": 1.32603010789746, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.196882136141, - "bs": 34.0, - "a2": 110.9611345206, - "a5": 120.410034590343, - "sidechain_LEU": 148, - "chainIndex": 549, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.679459169744 - } -}, -{ - "pk": 1827, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.590158274691, - "psi": -38.4290092373842, - "oldID": "761", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9591827506678, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1829, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 1825, - "terminal_flag": false, - "phi": -63.1260682877402, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.459681809299, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.21746451178, - "L4": 1.51739965683583, - "L5": 1.22994399467726, - "L2": 1.45758801959629, - "L3": 1.53926955171057, - "a7": 122.38190315818, - "L1": 1.3283813543504, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.967127545319, - "bs": 21.0, - "a2": 111.695297230456, - "a5": 119.97851858585, - "sidechain_LEU": null, - "chainIndex": 760, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.656423284534 - } -}, -{ - "pk": 1828, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.765519385303, - "psi": -25.2930895114791, - "oldID": "551", - "bg": 30.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.7171393356574, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1830, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 1826, - "terminal_flag": false, - "phi": -61.3565991400294, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.926921945111, - "chi2": 45.7513005705847, - "chi3": null, - "chi1": -171.037827028431, - "chi4": null, - "chi5": null, - "a1": 119.570305043701, - "L4": 1.53427681159815, - "L5": 1.23420243638755, - "L2": 1.45711771520248, - "L3": 1.53445747009835, - "a7": 122.273864321754, - "L1": 1.32715663006653, - "sidechain_ARG": null, - "sidechain_TYR": 61, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.291370371742, - "bs": 31.0, - "a2": 110.732942577541, - "a5": 119.956204120398, - "sidechain_LEU": null, - "chainIndex": 550, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.695649730674 - } -}, -{ - "pk": 1829, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.695481167694, - "psi": -34.699561492974, - "oldID": "762", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5480943775309, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1831, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 1827, - "terminal_flag": false, - "phi": -64.8702432879849, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.70396832303, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 118.773594098791, - "L4": 1.52809259767853, - "L5": 1.22911687406073, - "L2": 1.45439956122296, - "L3": 1.52484029494473, - "a7": 121.8790895756, - "L1": 1.32960576438496, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.770452840436, - "bs": 24.0, - "a2": 111.77381053083, - "a5": 119.362629313106, - "sidechain_LEU": null, - "chainIndex": 761, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.763290231501 - } -}, -{ - "pk": 1830, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.185970463983, - "psi": -25.0324155897925, - "oldID": "552", - "bg": 43.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.1218276890504, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 32, - "next": 1832, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1828, - "terminal_flag": false, - "phi": -66.0198576637989, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.166120372968, - "chi2": 100.712476341208, - "chi3": null, - "chi1": -102.799929587702, - "chi4": null, - "chi5": null, - "a1": 119.408139376031, - "L4": 1.5495221110329, - "L5": 1.23971620920934, - "L2": 1.45229787561195, - "L3": 1.53482820418679, - "a7": 123.238825041225, - "L1": 1.33122015420713, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.305367382033, - "bs": 43.0, - "a2": 110.460765881226, - "a5": 120.53724258406, - "sidechain_LEU": null, - "chainIndex": 551, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.125954131524 - } -}, -{ - "pk": 1831, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.928764865791, - "psi": -5.5360512375604, - "oldID": "763", - "bg": 29.83, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5014409161607, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1833, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 1829, - "terminal_flag": false, - "phi": -97.741841018571, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.584445232148, - "chi2": -155.085242031118, - "chi3": -75.2804434297649, - "chi1": -86.067412324057, - "chi4": null, - "chi5": null, - "a1": 120.543480754268, - "L4": 1.54459682629692, - "L5": 1.2408106100793, - "L2": 1.47176300829193, - "L3": 1.54626911892697, - "a7": 122.710122330791, - "L1": 1.33744630784339, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 127, - "omep": null, - "ss": "T", - "a3": 114.561499104605, - "bs": 31.0, - "a2": 111.401134708813, - "a5": 121.36101120415, - "sidechain_LEU": null, - "chainIndex": 762, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.181483507311 - } -}, -{ - "pk": 1832, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.419694939816, - "psi": 102.851205563394, - "oldID": "553", - "bg": 42.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.1590235128545, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 125, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1834, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 1830, - "terminal_flag": false, - "phi": -86.0276621788201, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.390598166752, - "chi2": null, - "chi3": null, - "chi1": -177.908915278512, - "chi4": null, - "chi5": null, - "a1": 123.090344379118, - "L4": 1.52725596317879, - "L5": 1.22163588737945, - "L2": 1.47181967336573, - "L3": 1.54282650271129, - "a7": 121.672498074328, - "L1": 1.33636688150909, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.639828773892, - "bs": 41.0, - "a2": 112.402715249017, - "a5": 119.839329169156, - "sidechain_LEU": null, - "chainIndex": 552, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.645953076798 - } -}, -{ - "pk": 1833, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.01460176628, - "psi": 51.2493422863369, - "oldID": "764", - "bg": 24.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.175803965599, - "sidechain_PHE": null, - "sidechain_LYS": 125, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1835, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 1831, - "terminal_flag": false, - "phi": 56.3452762277741, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.430025876159, - "chi2": -142.265660347623, - "chi3": 172.173734280532, - "chi1": -69.4472221673017, - "chi4": -52.2101906277799, - "chi5": null, - "a1": 121.359389655971, - "L4": 1.50475583794108, - "L5": 1.24535309744739, - "L2": 1.44939798672412, - "L3": 1.53432354845965, - "a7": 123.007943999819, - "L1": 1.32391623143948, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 109.237907505039, - "bs": 26.0, - "a2": 112.101406528686, - "a5": 121.974129660506, - "sidechain_LEU": null, - "chainIndex": 763, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.138899297565 - } -}, -{ - "pk": 1834, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 98, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.233736013475, - "psi": -23.3907135467049, - "oldID": "554", - "bg": 51.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.3349365272993, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1836, - "sidechain_SER": null, - "bm": 54.0, - "xpr": false, - "prev": 1832, - "terminal_flag": false, - "phi": -56.967676752775, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.842161304998, - "chi2": -42.6950255201175, - "chi3": 36.390437945693, - "chi1": 31.8826361912249, - "chi4": -16.3142747166935, - "chi5": null, - "a1": 123.310472817303, - "L4": 1.53246323608081, - "L5": 1.23304301030617, - "L2": 1.47307087018296, - "L3": 1.52526651067972, - "a7": 122.568341863253, - "L1": 1.34228173753359, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 9.62640938452528, - "ss": "T", - "a3": 118.717906813717, - "bs": 51.0, - "a2": 102.991276583818, - "a5": 120.196909001421, - "sidechain_LEU": null, - "chainIndex": 553, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.132995036765 - } -}, -{ - "pk": 1835, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.987127423133, - "psi": 157.435250497016, - "oldID": "765", - "bg": 26.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7226388328409, - "sidechain_PHE": null, - "sidechain_LYS": 126, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1837, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1833, - "terminal_flag": false, - "phi": -153.845303290901, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.52689884209, - "chi2": -166.381426508039, - "chi3": -20.3086146616782, - "chi1": 81.4019228943163, - "chi4": 172.309545144697, - "chi5": null, - "a1": 118.00161115619, - "L4": 1.52445943513721, - "L5": 1.221902570682, - "L2": 1.43073437270902, - "L3": 1.53979796638692, - "a7": 123.284461920035, - "L1": 1.32695534705628, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.293615053335, - "bs": 26.0, - "a2": 110.56541364392, - "a5": 121.680983600175, - "sidechain_LEU": null, - "chainIndex": 764, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.238825661132 - } -}, -{ - "pk": 1836, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 112, - "a6": 116.518075654253, - "psi": 18.4750913254456, - "oldID": "555", - "bg": 70.16, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.4229494703067, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1838, - "sidechain_SER": null, - "bm": 63.0, - "xpr": false, - "prev": 1834, - "terminal_flag": false, - "phi": -94.3903028786056, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.861790765413, - "chi2": -56.4130491759183, - "chi3": null, - "chi1": -54.4722369825557, - "chi4": null, - "chi5": null, - "a1": 121.400809514597, - "L4": 1.51146473298018, - "L5": 1.22806934179173, - "L2": 1.45638813637176, - "L3": 1.52615023238191, - "a7": 123.398559948402, - "L1": 1.32810288993864, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.999180600986, - "bs": 69.0, - "a2": 110.350988727873, - "a5": 120.07137076646, - "sidechain_LEU": null, - "chainIndex": 554, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.501769702707 - } -}, -{ - "pk": 1837, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.707586718442, - "psi": 136.425698200529, - "oldID": "766", - "bg": 15.14, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.9763877216481, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 33, - "next": 1839, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1835, - "terminal_flag": false, - "phi": -94.5701952277673, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.167059152384, - "chi2": 91.3556275042591, - "chi3": null, - "chi1": -64.1466266204211, - "chi4": null, - "chi5": null, - "a1": 120.776845933177, - "L4": 1.52761997140089, - "L5": 1.24002355475308, - "L2": 1.4433102811402, - "L3": 1.52989390335877, - "a7": 122.526209505137, - "L1": 1.32269742941122, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.263420502303, - "bs": 15.0, - "a2": 109.202423052024, - "a5": 120.747965415549, - "sidechain_LEU": null, - "chainIndex": 765, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.833164623007 - } -}, -{ - "pk": 1838, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.521742689959, - "psi": 138.673312201156, - "oldID": "556", - "bg": 60.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8277889223733, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 34, - "next": 1840, - "sidechain_SER": null, - "bm": 64.0, - "xpr": false, - "prev": 1836, - "terminal_flag": false, - "phi": -75.691797699009, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.461552869369, - "chi2": 57.1766624212018, - "chi3": null, - "chi1": -178.953596711473, - "chi4": null, - "chi5": null, - "a1": 121.635799278968, - "L4": 1.52044343364177, - "L5": 1.22797620489207, - "L2": 1.45890303021701, - "L3": 1.53352827238605, - "a7": 123.088291887465, - "L1": 1.32861293648057, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.337097997042, - "bs": 59.0, - "a2": 110.042055921009, - "a5": 120.389818726583, - "sidechain_LEU": null, - "chainIndex": 555, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.447720095532 - } -}, -{ - "pk": 1839, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.656976716318, - "psi": 154.655518638488, - "oldID": "767", - "bg": 18.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5870885348154, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 126, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1841, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1837, - "terminal_flag": false, - "phi": -113.069458738262, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.055119953676, - "chi2": null, - "chi3": null, - "chi1": -60.7405553592119, - "chi4": null, - "chi5": null, - "a1": 120.707232086729, - "L4": 1.5336104565234, - "L5": 1.25147453255891, - "L2": 1.44747033547694, - "L3": 1.54111971617047, - "a7": 124.600494815167, - "L1": 1.32725242239489, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.384805631218, - "bs": 18.0, - "a2": 110.706002942683, - "a5": 120.738135696375, - "sidechain_LEU": null, - "chainIndex": 766, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.331014932137 - } -}, -{ - "pk": 1840, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 113, - "a6": 116.989465199632, - "psi": 24.9106700561073, - "oldID": "557", - "bg": 66.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.90368640899, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1842, - "sidechain_SER": null, - "bm": 64.0, - "xpr": false, - "prev": 1838, - "terminal_flag": false, - "phi": -92.7858238090285, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.880091830507, - "chi2": 35.0990019469792, - "chi3": null, - "chi1": 49.9265575226886, - "chi4": null, - "chi5": null, - "a1": 121.462622643478, - "L4": 1.52258353522845, - "L5": 1.22933056191813, - "L2": 1.4578664082749, - "L3": 1.5200733789582, - "a7": 122.76253497517, - "L1": 1.32871082907225, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.419528536505, - "bs": 66.0, - "a2": 109.69606944455, - "a5": 120.237748904898, - "sidechain_LEU": null, - "chainIndex": 556, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.405553485233 - } -}, -{ - "pk": 1841, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.674466274421, - "psi": -116.082574072383, - "oldID": "768", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1843, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1839, - "terminal_flag": false, - "phi": 114.014706412872, - "chainID": "A", - "sidechain_GLN": null, - "ome": 172.904122658886, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 125.576891890225, - "L4": 1.51896556864243, - "L5": 1.23556517182846, - "L2": 1.46185179828152, - "L3": null, - "a7": 123.409927690285, - "L1": 1.33450788079061, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.858219810676, - "bs": 0.0, - "a2": null, - "a5": 119.900895198821, - "sidechain_LEU": null, - "chainIndex": 767, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1842, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.556468994731, - "psi": 12.0822257848222, - "oldID": "558", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1844, - "sidechain_SER": null, - "bm": 61.0, - "xpr": false, - "prev": 1840, - "terminal_flag": false, - "phi": 60.6905172707748, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.353874009542, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.424823209097, - "L4": 1.51715488890252, - "L5": 1.23370975378731, - "L2": 1.44946723910209, - "L3": null, - "a7": 122.524023506154, - "L1": 1.32537183253259, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 117.453539090377, - "bs": 0.0, - "a2": null, - "a5": 119.919327278723, - "sidechain_LEU": null, - "chainIndex": 557, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1843, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 114, - "a6": 117.221902658521, - "psi": 165.543031697299, - "oldID": "769", - "bg": 16.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.3442376545585, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1845, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1841, - "terminal_flag": false, - "phi": -72.4154808735779, - "chainID": "A", - "sidechain_GLN": null, - "ome": 169.252796953608, - "chi2": 8.1446113747523, - "chi3": null, - "chi1": -166.182251088321, - "chi4": null, - "chi5": null, - "a1": 123.752029784588, - "L4": 1.52460107751835, - "L5": 1.24280710866441, - "L2": 1.46259931062653, - "L3": 1.54933244262781, - "a7": 122.764737805443, - "L1": 1.33199443277971, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 106.214855477976, - "bs": 16.0, - "a2": 108.151690150988, - "a5": 119.96655166493, - "sidechain_LEU": null, - "chainIndex": 768, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.0780336402 - } -}, -{ - "pk": 1844, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.143558972693, - "psi": 96.8431965871251, - "oldID": "559", - "bg": 54.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0546228365012, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 127, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1846, - "sidechain_SER": null, - "bm": 58.0, - "xpr": false, - "prev": 1842, - "terminal_flag": false, - "phi": -101.94550368609, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.929124083285, - "chi2": null, - "chi3": null, - "chi1": 170.84590834609, - "chi4": null, - "chi5": null, - "a1": 120.205250218137, - "L4": 1.52060129300864, - "L5": 1.23215956925764, - "L2": 1.45277042438873, - "L3": 1.55112248242776, - "a7": 122.561630478572, - "L1": 1.32703832739143, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.238206307199, - "bs": 56.0, - "a2": 111.314575727977, - "a5": 121.294742439497, - "sidechain_LEU": null, - "chainIndex": 558, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.662321990866 - } -}, -{ - "pk": 1845, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.756555470078, - "psi": 128.353534741711, - "oldID": "770", - "bg": 15.02, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0613024514944, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 128, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1847, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1843, - "terminal_flag": false, - "phi": -69.9300380421027, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.800935534592, - "chi2": null, - "chi3": null, - "chi1": 173.673200782882, - "chi4": null, - "chi5": null, - "a1": 119.439520048009, - "L4": 1.53138620161415, - "L5": 1.22084361012809, - "L2": 1.45771165155968, - "L3": 1.52824569893757, - "a7": 121.780591412362, - "L1": 1.32924085096067, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 104.240592528972, - "bs": 15.0, - "a2": 113.053035194156, - "a5": 119.450785107383, - "sidechain_LEU": null, - "chainIndex": 769, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.536601023126 - } -}, -{ - "pk": 1846, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.711504175237, - "psi": 117.067287661003, - "oldID": "560", - "bg": 52.76, - "sidechain_CYS": null, - "sidechain_ILE": 101, - "protein": "1TWF", - "zeta": 35.5152335426051, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1848, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 1844, - "terminal_flag": false, - "phi": -58.1963430925866, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.96940406029, - "chi2": 165.820299963597, - "chi3": null, - "chi1": -62.1791886965607, - "chi4": null, - "chi5": null, - "a1": 120.331074684313, - "L4": 1.52161922050792, - "L5": 1.22647374228261, - "L2": 1.45395416675354, - "L3": 1.5089523868324, - "a7": 121.667202059059, - "L1": 1.32348094823687, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.046974429846, - "bs": 52.0, - "a2": 110.959895483335, - "a5": 120.615473963231, - "sidechain_LEU": null, - "chainIndex": 559, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.464838998641 - } -}, -{ - "pk": 1847, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 99, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.089346241615, - "psi": 133.650025714235, - "oldID": "771", - "bg": 15.28, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.0580021533529, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1849, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1845, - "terminal_flag": false, - "phi": -66.04534542749, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.607793078371, - "chi2": -40.1513710204952, - "chi3": 37.7538665602017, - "chi1": 26.2358856135968, - "chi4": -22.0519608134949, - "chi5": null, - "a1": 120.554367367587, - "L4": 1.50973378607681, - "L5": 1.2310069655003, - "L2": 1.46664147659837, - "L3": 1.54025710458027, - "a7": 123.269954372149, - "L1": 1.32756317219745, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 0.390442136444762, - "ss": "-", - "a3": 109.17063567392, - "bs": 15.0, - "a2": 102.986704822444, - "a5": 119.550716301957, - "sidechain_LEU": null, - "chainIndex": 770, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.929721482193 - } -}, -{ - "pk": 1848, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 100, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.065416144486, - "psi": 149.613906851474, - "oldID": "561", - "bg": 54.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.7978775677919, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1850, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 1846, - "terminal_flag": false, - "phi": -64.7646527114041, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.207169359292, - "chi2": -45.0188937759434, - "chi3": 37.6105647301557, - "chi1": 34.2640980078051, - "chi4": -16.564506515696, - "chi5": null, - "a1": 118.186936612883, - "L4": 1.533492455951, - "L5": 1.22667662014579, - "L2": 1.46675044606768, - "L3": 1.52285180985906, - "a7": 122.312941554783, - "L1": 1.33727837237851, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 6.71858083455999, - "ss": "-", - "a3": 112.742987699261, - "bs": 55.0, - "a2": 102.502444671562, - "a5": 120.621595763706, - "sidechain_LEU": null, - "chainIndex": 560, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.216961035994 - } -}, -{ - "pk": 1849, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 115, - "a6": 115.671857135329, - "psi": 79.0984237013905, - "oldID": "772", - "bg": 14.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6116592508058, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1851, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1847, - "terminal_flag": false, - "phi": -76.3015805395592, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.042844630244, - "chi2": 13.301989355936, - "chi3": null, - "chi1": -170.810384643764, - "chi4": null, - "chi5": null, - "a1": 121.36545175077, - "L4": 1.52668005143515, - "L5": 1.23730762284285, - "L2": 1.46701321315436, - "L3": 1.5290832281722, - "a7": 122.622967054154, - "L1": 1.32715830985489, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 105.557810372838, - "bs": 14.0, - "a2": 110.129411000003, - "a5": 121.704232798055, - "sidechain_LEU": null, - "chainIndex": 771, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.263351893381 - } -}, -{ - "pk": 1850, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.368493846776, - "psi": 131.947351454263, - "oldID": "562", - "bg": 57.68, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5576862651769, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 95, - "sidechain_TRP": null, - "next": 1852, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 1848, - "terminal_flag": false, - "phi": -71.9481563584401, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.798217912583, - "chi2": null, - "chi3": null, - "chi1": -68.165000362139, - "chi4": null, - "chi5": null, - "a1": 121.235137547626, - "L4": 1.53436064520009, - "L5": 1.23192243728337, - "L2": 1.46249012980627, - "L3": 1.55367868817247, - "a7": 121.928738824975, - "L1": 1.3280102446856, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.536392594978, - "bs": 58.0, - "a2": 111.287968304158, - "a5": 120.702744386173, - "sidechain_LEU": null, - "chainIndex": 561, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.386853958102 - } -}, -{ - "pk": 1851, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.467428119445, - "psi": 108.122373815397, - "oldID": "773", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1853, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1849, - "terminal_flag": false, - "phi": 108.978982301425, - "chainID": "A", - "sidechain_GLN": null, - "ome": -169.493948552321, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.193490117227, - "L4": 1.51656041431736, - "L5": 1.222988935506, - "L2": 1.45355640262523, - "L3": null, - "a7": 122.740829526322, - "L1": 1.33132893788391, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 105.994727554492, - "bs": 0.0, - "a2": null, - "a5": 121.747251500395, - "sidechain_LEU": null, - "chainIndex": 772, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1852, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 101, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.276621494104, - "psi": 152.323508790068, - "oldID": "563", - "bg": 57.85, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 38.2344078106571, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1854, - "sidechain_SER": null, - "bm": 58.0, - "xpr": false, - "prev": 1850, - "terminal_flag": false, - "phi": -51.0523683183864, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.368005261654, - "chi2": 43.3891170493692, - "chi3": -36.0338359237073, - "chi1": -33.659719827561, - "chi4": 14.9362257498327, - "chi5": null, - "a1": 126.106981515197, - "L4": 1.5159341042063, - "L5": 1.21795946836449, - "L2": 1.47011171465623, - "L3": 1.52330239454155, - "a7": 122.38819939405, - "L1": 1.34563673960995, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -2.356199738901, - "ss": "-", - "a3": 113.566725395954, - "bs": 58.0, - "a2": 102.91600757924, - "a5": 120.335168223286, - "sidechain_LEU": null, - "chainIndex": 562, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.125171376103 - } -}, -{ - "pk": 1853, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 102, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.590947782664, - "psi": -6.22249380878652, - "oldID": "774", - "bg": 18.09, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.8391250343954, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1855, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1851, - "terminal_flag": false, - "phi": -87.5471540908617, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.781483869706, - "chi2": -15.6098766879483, - "chi3": -0.487928187941306, - "chi1": 25.1522197411777, - "chi4": 17.9183226862336, - "chi5": null, - "a1": 122.705759617873, - "L4": 1.52567370748721, - "L5": 1.23099793450534, - "L2": 1.46292939084046, - "L3": 1.52791041974996, - "a7": 123.535635917119, - "L1": 1.32819776228693, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 11.9199790104912, - "ss": "-", - "a3": 116.238108765811, - "bs": 18.0, - "a2": 102.493285119378, - "a5": 118.872024452542, - "sidechain_LEU": null, - "chainIndex": 773, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.911364131403 - } -}, -{ - "pk": 1854, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.593314501279, - "psi": -4.88725259662309, - "oldID": "564", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7209020153009, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1856, - "sidechain_SER": null, - "bm": 63.0, - "xpr": false, - "prev": 1852, - "terminal_flag": false, - "phi": -81.6801629277071, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.93581128962, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.052063397266, - "L4": 1.52291202213566, - "L5": 1.23230385019187, - "L2": 1.45696329317894, - "L3": 1.52096894892588, - "a7": 123.504373150613, - "L1": 1.32590901427018, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 105.559475654491, - "bs": 61.0, - "a2": 110.499725991149, - "a5": 121.90230516044, - "sidechain_LEU": null, - "chainIndex": 563, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.703800701031 - } -}, -{ - "pk": 1855, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.956187984832, - "psi": 161.258645790311, - "oldID": "775", - "bg": 19.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.89017771168, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 35, - "next": 1857, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1853, - "terminal_flag": false, - "phi": -62.2003074294583, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.185442748809, - "chi2": -80.9539176200649, - "chi3": null, - "chi1": -56.0800538723212, - "chi4": null, - "chi5": null, - "a1": 123.343444731482, - "L4": 1.50367249526733, - "L5": 1.22269689338504, - "L2": 1.45652577245516, - "L3": 1.53579317291848, - "a7": 123.06753543456, - "L1": 1.32994303428091, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.34125644213, - "bs": 20.0, - "a2": 109.025607968167, - "a5": 119.975666184937, - "sidechain_LEU": null, - "chainIndex": 774, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.970100325238 - } -}, -{ - "pk": 1856, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.708158383682, - "psi": 130.699767140963, - "oldID": "565", - "bg": 65.29, - "sidechain_CYS": null, - "sidechain_ILE": 102, - "protein": "1TWF", - "zeta": 34.8260483201311, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1858, - "sidechain_SER": null, - "bm": 68.0, - "xpr": false, - "prev": 1854, - "terminal_flag": false, - "phi": -141.169952246691, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.584491446024, - "chi2": 170.862969266873, - "chi3": null, - "chi1": -71.9149318691287, - "chi4": null, - "chi5": null, - "a1": 122.365697409623, - "L4": 1.51638367947539, - "L5": 1.22580250521193, - "L2": 1.44892112565863, - "L3": 1.52723605484902, - "a7": 122.978813660059, - "L1": 1.3266557025284, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 108.168136774157, - "bs": 65.0, - "a2": 110.113706495679, - "a5": 120.297152545721, - "sidechain_LEU": null, - "chainIndex": 564, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.439295073754 - } -}, -{ - "pk": 1857, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 103, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.525164755281, - "psi": 164.536890271041, - "oldID": "776", - "bg": 18.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.9900132296209, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1859, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1855, - "terminal_flag": false, - "phi": -55.7681070446616, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.928079050705, - "chi2": 38.4543680539562, - "chi3": -33.3833788777245, - "chi1": -28.0388667791588, - "chi4": 16.0202700287331, - "chi5": null, - "a1": 121.238395776691, - "L4": 1.52179977356512, - "L5": 1.23201482897263, - "L2": 1.46635783717466, - "L3": 1.54196038989193, - "a7": 123.051743490074, - "L1": 1.33529667569382, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -6.63135207566007, - "ss": "-", - "a3": 112.08558810322, - "bs": 17.0, - "a2": 103.254267657583, - "a5": 121.421061048339, - "sidechain_LEU": null, - "chainIndex": 775, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.671446066007 - } -}, -{ - "pk": 1858, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.535970826689, - "psi": -20.6248688252612, - "oldID": "566", - "bg": 74.32, - "sidechain_CYS": null, - "sidechain_ILE": 103, - "protein": "1TWF", - "zeta": 35.4062213807259, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1860, - "sidechain_SER": null, - "bm": 76.0, - "xpr": false, - "prev": 1856, - "terminal_flag": false, - "phi": -121.930714851662, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.883375829481, - "chi2": 168.567700355632, - "chi3": null, - "chi1": -45.9325597459399, - "chi4": null, - "chi5": null, - "a1": 121.034418567941, - "L4": 1.52166855291805, - "L5": 1.22350484313316, - "L2": 1.45599733043292, - "L3": 1.53632297573353, - "a7": 123.783675298181, - "L1": 1.32846415593821, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.35647039748, - "bs": 74.0, - "a2": 110.595076905619, - "a5": 120.678858856974, - "sidechain_LEU": null, - "chainIndex": 565, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.520605870653 - } -}, -{ - "pk": 1859, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 104, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.389532061555, - "psi": 154.568944630651, - "oldID": "777", - "bg": 17.91, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.3259826213416, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1861, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1857, - "terminal_flag": false, - "phi": -53.0126275462983, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.486238840712, - "chi2": 42.4150364550056, - "chi3": -36.2460008237983, - "chi1": -30.872032924142, - "chi4": 17.1569158573911, - "chi5": null, - "a1": 122.591262290821, - "L4": 1.5238256823664, - "L5": 1.23169106378921, - "L2": 1.45387850123394, - "L3": 1.52263882016342, - "a7": 123.291008095095, - "L1": 1.31740110208143, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 0.290764128834363, - "ss": "-", - "a3": 112.478996931984, - "bs": 17.0, - "a2": 102.590758175073, - "a5": 122.290767577774, - "sidechain_LEU": null, - "chainIndex": 776, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.182400238213 - } -}, -{ - "pk": 1860, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 120.106275273733, - "psi": -126.931384647842, - "oldID": "567", - "bg": 91.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.4397914443898, - "sidechain_PHE": null, - "sidechain_LYS": 127, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1862, - "sidechain_SER": null, - "bm": 83.0, - "xpr": false, - "prev": 1858, - "terminal_flag": false, - "phi": -44.0729238242192, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.262934034567, - "chi2": -166.213053394659, - "chi3": 178.038303772106, - "chi1": 41.0380140983816, - "chi4": 64.1007161187135, - "chi5": null, - "a1": 124.470879589356, - "L4": 1.55479087882676, - "L5": 1.23372715125766, - "L2": 1.45879545915786, - "L3": 1.52659607764807, - "a7": 120.933036170914, - "L1": 1.32840271657967, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 118.089544021903, - "bs": 95.0, - "a2": 107.263648159021, - "a5": 118.960674017979, - "sidechain_LEU": null, - "chainIndex": 566, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.81856850948 - } -}, -{ - "pk": 1861, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.711398715574, - "psi": -22.4689032153795, - "oldID": "778", - "bg": 14.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8215326694838, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1863, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1859, - "terminal_flag": false, - "phi": -62.040842878897, - "chainID": "A", - "sidechain_GLN": 71, - "ome": 177.892082963618, - "chi2": 166.035090038966, - "chi3": -49.8485920705594, - "chi1": -167.226520340689, - "chi4": null, - "chi5": null, - "a1": 123.821470107983, - "L4": 1.51834444430365, - "L5": 1.21913578624086, - "L2": 1.44249146872028, - "L3": 1.53905599555494, - "a7": 122.321797598639, - "L1": 1.31669263120822, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.221236338797, - "bs": 15.0, - "a2": 108.510458706352, - "a5": 119.941644303741, - "sidechain_LEU": null, - "chainIndex": 777, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.413454008102 - } -}, -{ - "pk": 1862, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 105, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.207364654289, - "psi": -9.63107832223342, - "oldID": "568", - "bg": 82.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.5740239537536, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1864, - "sidechain_SER": null, - "bm": 82.0, - "xpr": false, - "prev": 1860, - "terminal_flag": false, - "phi": -63.6191100001286, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.574935427501, - "chi2": -44.1162677619778, - "chi3": 38.3276627692935, - "chi1": 32.451246962831, - "chi4": -18.0500450185717, - "chi5": null, - "a1": 114.242261561223, - "L4": 1.52425041506447, - "L5": 1.2407220787595, - "L2": 1.47098326887418, - "L3": 1.52555845869268, - "a7": 123.168005784691, - "L1": 1.36000650609943, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 1.91928375497837, - "ss": "S", - "a3": 117.984743955001, - "bs": 82.0, - "a2": 102.948041134443, - "a5": 120.621802034965, - "sidechain_LEU": null, - "chainIndex": 567, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.15115885462 - } -}, -{ - "pk": 1863, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.649057309867, - "psi": -22.2564176176012, - "oldID": "779", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6708756090674, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1865, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1861, - "terminal_flag": false, - "phi": -67.8925794884453, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.214288124607, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.254933777791, - "L4": 1.52952356207359, - "L5": 1.23825640522861, - "L2": 1.46929936640929, - "L3": 1.52463588483635, - "a7": 122.80735250616, - "L1": 1.3302946592464, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.541655599222, - "bs": 18.0, - "a2": 110.514638519696, - "a5": 121.541865926777, - "sidechain_LEU": null, - "chainIndex": 778, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.78488555255 - } -}, -{ - "pk": 1864, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.401846620174, - "psi": 125.53324969705, - "oldID": "569", - "bg": 81.84, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0287018388601, - "sidechain_PHE": null, - "sidechain_LYS": 128, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1866, - "sidechain_SER": null, - "bm": 77.0, - "xpr": false, - "prev": 1862, - "terminal_flag": false, - "phi": -160.247259416408, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.812740019627, - "chi2": 170.455526882988, - "chi3": 169.727407249544, - "chi1": -176.622962873621, - "chi4": -174.922812346188, - "chi5": null, - "a1": 120.98978235347, - "L4": 1.52255279955701, - "L5": 1.22647026895245, - "L2": 1.45329774632555, - "L3": 1.53094753374565, - "a7": 121.888571675881, - "L1": 1.32835561363337, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 111.232487666026, - "bs": 82.0, - "a2": 108.936029237525, - "a5": 120.695392603354, - "sidechain_LEU": null, - "chainIndex": 568, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.444193136833 - } -}, -{ - "pk": 1865, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 116, - "a6": 116.161685274461, - "psi": 94.0969006589963, - "oldID": "780", - "bg": 25.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9852894381148, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1867, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 1863, - "terminal_flag": false, - "phi": -75.4435043693026, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.830061683895, - "chi2": -37.8777886938162, - "chi3": null, - "chi1": -166.730686247092, - "chi4": null, - "chi5": null, - "a1": 121.846935427227, - "L4": 1.52174374805101, - "L5": 1.22554508646012, - "L2": 1.44721085233526, - "L3": 1.5125153821872, - "a7": 122.341792628339, - "L1": 1.32805070454655, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.38114579701, - "bs": 24.0, - "a2": 110.587071942981, - "a5": 121.473378140762, - "sidechain_LEU": null, - "chainIndex": 779, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.44256086996 - } -}, -{ - "pk": 1866, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 106, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.493825694493, - "psi": 93.966559183297, - "oldID": "570", - "bg": 72.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.8455355039582, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1868, - "sidechain_SER": null, - "bm": 71.0, - "xpr": false, - "prev": 1864, - "terminal_flag": false, - "phi": -66.6228313552606, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.878670847546, - "chi2": -44.6432186545049, - "chi3": 38.7144890181842, - "chi1": 32.7500299482908, - "chi4": -18.6433880269693, - "chi5": null, - "a1": 120.867958100761, - "L4": 1.52849144652663, - "L5": 1.22743463818913, - "L2": 1.46230514466967, - "L3": 1.52516297321027, - "a7": 123.014857398773, - "L1": 1.34072902819069, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 2.38974776450059, - "ss": "-", - "a3": 109.257586202761, - "bs": 72.0, - "a2": 102.726387316472, - "a5": 120.490369248528, - "sidechain_LEU": null, - "chainIndex": 569, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.682915017986 - } -}, -{ - "pk": 1867, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.227757697841, - "psi": -24.0457822055752, - "oldID": "781", - "bg": 30.56, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6744282557201, - "sidechain_PHE": null, - "sidechain_LYS": 129, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1870, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1865, - "terminal_flag": false, - "phi": -64.6705268872754, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.94445238026, - "chi2": 168.84723717914, - "chi3": -168.524415787747, - "chi1": -70.7312002914426, - "chi4": -78.6268947679149, - "chi5": null, - "a1": 119.71208919789, - "L4": 1.52674131345017, - "L5": 1.23026670987803, - "L2": 1.45550042496616, - "L3": 1.53493103392385, - "a7": 122.466547944838, - "L1": 1.32194312504681, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.82906533649, - "bs": 32.0, - "a2": 110.810541074069, - "a5": 120.285343516971, - "sidechain_LEU": null, - "chainIndex": 780, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.899365546153 - } -}, -{ - "pk": 1868, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.685194742444, - "psi": 140.345176033926, - "oldID": "571", - "bg": 60.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8019737396191, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1869, - "sidechain_SER": null, - "bm": 64.0, - "xpr": false, - "prev": 1866, - "terminal_flag": false, - "phi": -107.940158702557, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.639917818804, - "chi2": 54.4943409749049, - "chi3": null, - "chi1": -128.095096278966, - "chi4": null, - "chi5": null, - "a1": 122.201038940945, - "L4": 1.52368272356609, - "L5": 1.23247104199611, - "L2": 1.46484056508195, - "L3": 1.53452017515492, - "a7": 122.9280192717, - "L1": 1.330161797689, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.956955809485, - "bs": 60.0, - "a2": 110.07087969794, - "a5": 121.386043860071, - "sidechain_LEU": 149, - "chainIndex": 570, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.059325738305 - } -}, -{ - "pk": 1869, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.758858808721, - "psi": 174.088972934868, - "oldID": "572", - "bg": 49.49, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8756523673685, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 36, - "next": 1872, - "sidechain_SER": null, - "bm": 57.0, - "xpr": false, - "prev": 1868, - "terminal_flag": false, - "phi": -106.152027656716, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.646975706457, - "chi2": -98.0488505876357, - "chi3": null, - "chi1": -83.2334515825175, - "chi4": null, - "chi5": null, - "a1": 121.378007212569, - "L4": 1.51948977498223, - "L5": 1.23135211262653, - "L2": 1.45547847939639, - "L3": 1.52096387242096, - "a7": 122.53067621977, - "L1": 1.32670396705888, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.458020184847, - "bs": 47.0, - "a2": 110.0320159261, - "a5": 121.70771740609, - "sidechain_LEU": null, - "chainIndex": 571, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.374547771489 - } -}, -{ - "pk": 1870, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.722749286714, - "psi": -37.3981861669961, - "oldID": "782", - "bg": 31.45, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6169543914921, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1871, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 1867, - "terminal_flag": false, - "phi": -87.2474824567337, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.549972175278, - "chi2": 60.2339783938445, - "chi3": 66.8362483142956, - "chi1": -80.6106444864163, - "chi4": null, - "chi5": null, - "a1": 120.848728879704, - "L4": 1.51571745524908, - "L5": 1.22603932874982, - "L2": 1.46351304382582, - "L3": 1.52533528536925, - "a7": 123.161214561436, - "L1": 1.32900187508464, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 128, - "omep": null, - "ss": "T", - "a3": 114.079246730374, - "bs": 32.0, - "a2": 110.12471709415, - "a5": 120.113636568934, - "sidechain_LEU": null, - "chainIndex": 781, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.847662097358 - } -}, -{ - "pk": 1871, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.423908408045, - "psi": -20.4554457825134, - "oldID": "783", - "bg": 24.75, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.6840547894214, - "sidechain_PHE": null, - "sidechain_LYS": 130, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1873, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 1870, - "terminal_flag": false, - "phi": -123.374794207966, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.972655392819, - "chi2": -62.8291184819857, - "chi3": -169.158776370664, - "chi1": -62.1815653191983, - "chi4": -157.210393770608, - "chi5": null, - "a1": 121.263517801591, - "L4": 1.52868676786753, - "L5": 1.23283322039101, - "L2": 1.4566937322352, - "L3": 1.52301126305486, - "a7": 123.449356971667, - "L1": 1.32650025975694, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.939704102417, - "bs": 26.0, - "a2": 109.210688448953, - "a5": 120.114288639233, - "sidechain_LEU": null, - "chainIndex": 782, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.319295873906 - } -}, -{ - "pk": 1872, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.456379250167, - "psi": 152.301098686127, - "oldID": "573", - "bg": 54.85, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2198489752934, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1874, - "sidechain_SER": 93, - "bm": 52.0, - "xpr": false, - "prev": 1869, - "terminal_flag": false, - "phi": -116.110205544663, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.904232734203, - "chi2": null, - "chi3": null, - "chi1": 168.365098879664, - "chi4": null, - "chi5": null, - "a1": 120.424761647807, - "L4": 1.52190728910758, - "L5": 1.23062772400956, - "L2": 1.44387836399153, - "L3": 1.51928989728081, - "a7": 123.039723244585, - "L1": 1.31660430642053, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.407112785735, - "bs": 53.0, - "a2": 109.25049765228, - "a5": 120.490754946692, - "sidechain_LEU": null, - "chainIndex": 572, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.283991605766 - } -}, -{ - "pk": 1873, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.301823622195, - "psi": 166.213533260991, - "oldID": "784", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1875, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1871, - "terminal_flag": false, - "phi": -74.5092996553972, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.042434415879, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.10892319576, - "L4": 1.51983722857429, - "L5": 1.23254753289208, - "L2": 1.45490816490657, - "L3": null, - "a7": 123.02435676385, - "L1": 1.32937621420813, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.079620007359, - "bs": 0.0, - "a2": null, - "a5": 120.637596427369, - "sidechain_LEU": null, - "chainIndex": 783, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1874, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.903288885465, - "psi": -50.5708894438045, - "oldID": "574", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1876, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 1872, - "terminal_flag": false, - "phi": -57.1540792021482, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.675193607994, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.766402803457, - "L4": 1.51600148763325, - "L5": 1.23329314671006, - "L2": 1.44783153283608, - "L3": null, - "a7": 122.972126321091, - "L1": 1.33004160078966, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.084135546065, - "bs": 0.0, - "a2": null, - "a5": 121.120942250938, - "sidechain_LEU": null, - "chainIndex": 573, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1875, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.910646795008, - "psi": 170.592528829076, - "oldID": "785", - "bg": 19.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8495782973764, - "sidechain_PHE": null, - "sidechain_LYS": 131, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1878, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1873, - "terminal_flag": false, - "phi": -134.70674924335, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.876811594549, - "chi2": -78.2215269165348, - "chi3": 166.797701737378, - "chi1": -50.6960007664727, - "chi4": -172.48349497696, - "chi5": null, - "a1": 122.210902287964, - "L4": 1.52370225146447, - "L5": 1.2405224808349, - "L2": 1.44987082084564, - "L3": 1.54406798033324, - "a7": 123.051918772375, - "L1": 1.33184076743501, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.1908408949, - "bs": 19.0, - "a2": 111.598016670084, - "a5": 122.031515825518, - "sidechain_LEU": null, - "chainIndex": 784, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.477369674219 - } -}, -{ - "pk": 1876, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.812939621928, - "psi": -44.2091352431968, - "oldID": "575", - "bg": 46.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6812621740231, - "sidechain_PHE": null, - "sidechain_LYS": 132, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1877, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 1874, - "terminal_flag": false, - "phi": -51.8879153529144, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.591284550642, - "chi2": -168.267809298778, - "chi3": -155.489431494192, - "chi1": -57.2945277537509, - "chi4": -178.309668034743, - "chi5": null, - "a1": 121.303443061341, - "L4": 1.51791984433278, - "L5": 1.23185639280315, - "L2": 1.4615003655085, - "L3": 1.52512968917349, - "a7": 123.038840982321, - "L1": 1.33022339524864, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.745120399509, - "bs": 45.0, - "a2": 110.421948353406, - "a5": 121.148212301052, - "sidechain_LEU": null, - "chainIndex": 574, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.189089944511 - } -}, -{ - "pk": 1877, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.691194821357, - "psi": -51.042511128931, - "oldID": "576", - "bg": 60.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4341830444176, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1879, - "sidechain_SER": null, - "bm": 54.0, - "xpr": false, - "prev": 1876, - "terminal_flag": false, - "phi": -52.2417198818699, - "chainID": "A", - "sidechain_GLN": 72, - "ome": -179.415607810913, - "chi2": -177.411865727432, - "chi3": -65.9797775074594, - "chi1": -95.1711564941697, - "chi4": null, - "chi5": null, - "a1": 120.779875341591, - "L4": 1.51619731867219, - "L5": 1.22892940398767, - "L2": 1.45045794286759, - "L3": 1.51792662591136, - "a7": 123.09283030481, - "L1": 1.32317786142312, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.96557308602, - "bs": 60.0, - "a2": 110.135760474161, - "a5": 120.212439327929, - "sidechain_LEU": null, - "chainIndex": 575, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.1112435481 - } -}, -{ - "pk": 1878, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.153940053007, - "psi": 163.775328969678, - "oldID": "786", - "bg": 17.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2279518683687, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1880, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1875, - "terminal_flag": false, - "phi": -83.25230627893, - "chainID": "A", - "sidechain_GLN": null, - "ome": -168.253339783309, - "chi2": -166.167185123207, - "chi3": -169.246914202215, - "chi1": -65.8305970770438, - "chi4": 104.227092876486, - "chi5": -0.163649752660548, - "a1": 121.565939138416, - "L4": 1.51787115981253, - "L5": 1.23525881129893, - "L2": 1.45306826483043, - "L3": 1.52399195551828, - "a7": 123.700533048407, - "L1": 1.32485683624897, - "sidechain_ARG": 93, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.719655431249, - "bs": 16.0, - "a2": 109.725297627851, - "a5": 120.14101892809, - "sidechain_LEU": null, - "chainIndex": 785, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.691857506175 - } -}, -{ - "pk": 1879, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.559043116801, - "psi": -36.0417977492467, - "oldID": "577", - "bg": 59.92, - "sidechain_CYS": null, - "sidechain_ILE": 104, - "protein": "1TWF", - "zeta": 34.5289180948199, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1881, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 1877, - "terminal_flag": false, - "phi": -71.9003201080569, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.726938314056, - "chi2": 153.392739531396, - "chi3": null, - "chi1": 36.6563451587995, - "chi4": null, - "chi5": null, - "a1": 121.772147413883, - "L4": 1.52306310704305, - "L5": 1.23187729950907, - "L2": 1.46076655473969, - "L3": 1.53920400137495, - "a7": 122.512379282278, - "L1": 1.33033488179779, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.791181821717, - "bs": 59.0, - "a2": 111.139114344088, - "a5": 120.928550978647, - "sidechain_LEU": null, - "chainIndex": 576, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.480594826164 - } -}, -{ - "pk": 1880, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.697812567272, - "psi": -37.2286319530082, - "oldID": "787", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7405676429238, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1882, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1878, - "terminal_flag": false, - "phi": -68.4782327971878, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.350935225145, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 123.124389207901, - "L4": 1.52982480203899, - "L5": 1.24233684856388, - "L2": 1.45611961399245, - "L3": 1.51132021698624, - "a7": 123.182258977456, - "L1": 1.329537797282, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 119.276407786618, - "bs": 15.0, - "a2": 109.635390495732, - "a5": 120.102830042848, - "sidechain_LEU": null, - "chainIndex": 786, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.58559007177 - } -}, -{ - "pk": 1881, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.121777216236, - "psi": -39.9263754694546, - "oldID": "578", - "bg": 39.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4996479991321, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1883, - "sidechain_SER": null, - "bm": 44.0, - "xpr": false, - "prev": 1879, - "terminal_flag": false, - "phi": -57.6367130816524, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.036472064689, - "chi2": 57.7233987993128, - "chi3": null, - "chi1": -176.868425900028, - "chi4": null, - "chi5": null, - "a1": 119.95323693514, - "L4": 1.5306150701539, - "L5": 1.22875581491905, - "L2": 1.44927354139749, - "L3": 1.52883662251064, - "a7": 122.893016527908, - "L1": 1.32638052773181, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.13981737076, - "bs": 38.0, - "a2": 110.430586701576, - "a5": 120.948685102581, - "sidechain_LEU": 150, - "chainIndex": 577, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.551655971136 - } -}, -{ - "pk": 1882, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.598430212216, - "psi": 85.4303270672732, - "oldID": "788", - "bg": 13.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.9493476801403, - "sidechain_PHE": 66, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1884, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1880, - "terminal_flag": false, - "phi": -98.9105130178493, - "chainID": "A", - "sidechain_GLN": null, - "ome": -167.755285195379, - "chi2": 85.9081911540328, - "chi3": null, - "chi1": -72.1955932035396, - "chi4": null, - "chi5": null, - "a1": 121.273941465198, - "L4": 1.52749400730591, - "L5": 1.23187200357022, - "L2": 1.45665026233653, - "L3": 1.53946026300384, - "a7": 123.493594602783, - "L1": 1.32269426704392, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.322887841392, - "bs": 14.0, - "a2": 109.367521374774, - "a5": 121.90777685634, - "sidechain_LEU": null, - "chainIndex": 787, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 115.399639922132 - } -}, -{ - "pk": 1883, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.217167556601, - "psi": -24.2656991659207, - "oldID": "579", - "bg": 35.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.6552847767997, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1885, - "sidechain_SER": 94, - "bm": 43.0, - "xpr": false, - "prev": 1881, - "terminal_flag": false, - "phi": -59.0686432297691, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.134856338979, - "chi2": null, - "chi3": null, - "chi1": -53.9483214982985, - "chi4": null, - "chi5": null, - "a1": 121.665453999948, - "L4": 1.51452004928855, - "L5": 1.23017484650407, - "L2": 1.45490862486481, - "L3": 1.51983611667293, - "a7": 122.43049948685, - "L1": 1.32978473186701, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.462538043305, - "bs": 38.0, - "a2": 109.489083128621, - "a5": 120.351743236151, - "sidechain_LEU": null, - "chainIndex": 578, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.624969500744 - } -}, -{ - "pk": 1884, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.98148190465, - "psi": -17.8699118493917, - "oldID": "789", - "bg": 16.85, - "sidechain_CYS": null, - "sidechain_ILE": 105, - "protein": "1H0H", - "zeta": 32.7488271463649, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1886, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1882, - "terminal_flag": false, - "phi": -70.5824639916426, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.490860420196, - "chi2": 173.69788262962, - "chi3": null, - "chi1": 72.7633792649977, - "chi4": null, - "chi5": null, - "a1": 121.837577245657, - "L4": 1.52321730234739, - "L5": 1.23024489374966, - "L2": 1.46977928703221, - "L3": 1.5569093787565, - "a7": 122.281348281958, - "L1": 1.32727552338238, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.518911306011, - "bs": 16.0, - "a2": 110.516764942075, - "a5": 120.734132332166, - "sidechain_LEU": null, - "chainIndex": 788, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.98483201154 - } -}, -{ - "pk": 1885, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.722980853725, - "psi": -31.6480456031414, - "oldID": "580", - "bg": 41.87, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4990504080347, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 129, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1887, - "sidechain_SER": null, - "bm": 44.0, - "xpr": false, - "prev": 1883, - "terminal_flag": false, - "phi": -60.2045270529491, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.6591831764, - "chi2": null, - "chi3": null, - "chi1": -171.858131977207, - "chi4": null, - "chi5": null, - "a1": 118.977609171311, - "L4": 1.53344753500362, - "L5": 1.23356910099748, - "L2": 1.44974874751708, - "L3": 1.53552143374263, - "a7": 122.628818389057, - "L1": 1.32488205286871, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 106.867414378606, - "bs": 43.0, - "a2": 111.057180347769, - "a5": 120.637225941411, - "sidechain_LEU": null, - "chainIndex": 579, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.33457706363 - } -}, -{ - "pk": 1886, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.623374326881, - "psi": -15.5004334359901, - "oldID": "790", - "bg": 17.87, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.319292935732, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 47, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1888, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1884, - "terminal_flag": false, - "phi": -89.1034206850581, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.379760185777, - "chi2": -60.0725163668904, - "chi3": -56.616414064856, - "chi1": -57.0147125997773, - "chi4": null, - "chi5": null, - "a1": 119.184117744573, - "L4": 1.5169162969313, - "L5": 1.2319671638318, - "L2": 1.44147257946722, - "L3": 1.54050123070451, - "a7": 122.631928173576, - "L1": 1.31966753649098, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.175063732669, - "bs": 18.0, - "a2": 111.126420401302, - "a5": 119.743692371256, - "sidechain_LEU": null, - "chainIndex": 789, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.873438368863 - } -}, -{ - "pk": 1887, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.818889795055, - "psi": -38.6678303961113, - "oldID": "581", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0177588400776, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1889, - "sidechain_SER": null, - "bm": 44.0, - "xpr": false, - "prev": 1885, - "terminal_flag": false, - "phi": -71.4271350055665, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.515616813473, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.139643077913, - "L4": 1.53290046822312, - "L5": 1.2326575391106, - "L2": 1.46710565492242, - "L3": 1.53178813977615, - "a7": 123.342342231576, - "L1": 1.33262105951536, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.980565470471, - "bs": 45.0, - "a2": 110.171783205698, - "a5": 120.837767054772, - "sidechain_LEU": null, - "chainIndex": 580, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.928080244232 - } -}, -{ - "pk": 1888, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.546445418815, - "psi": 150.747528497731, - "oldID": "791", - "bg": 14.68, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4510041041769, - "sidechain_PHE": null, - "sidechain_LYS": 133, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1890, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1886, - "terminal_flag": false, - "phi": -80.5831000179567, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.481099510342, - "chi2": -61.6373784075513, - "chi3": -73.0346498470329, - "chi1": -65.3050420281266, - "chi4": 172.570506553181, - "chi5": null, - "a1": 120.479194564428, - "L4": 1.54354938527239, - "L5": 1.21381789039256, - "L2": 1.47298559227155, - "L3": 1.52823504421842, - "a7": 121.7522608307, - "L1": 1.33482223942633, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.638821954155, - "bs": 17.0, - "a2": 110.535589378045, - "a5": 119.698636971486, - "sidechain_LEU": null, - "chainIndex": 790, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.987440366764 - } -}, -{ - "pk": 1889, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.04536932468, - "psi": 125.649988795621, - "oldID": "582", - "bg": 44.93, - "sidechain_CYS": null, - "sidechain_ILE": 106, - "protein": "1TWF", - "zeta": 35.0138452474562, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1891, - "sidechain_SER": null, - "bm": 46.0, - "xpr": false, - "prev": 1887, - "terminal_flag": false, - "phi": -74.6383147422845, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.330393162674, - "chi2": 168.104572245343, - "chi3": null, - "chi1": -64.0435930745307, - "chi4": null, - "chi5": null, - "a1": 122.933828293936, - "L4": 1.52456992159482, - "L5": 1.23777630831084, - "L2": 1.46091752915993, - "L3": 1.52385531039645, - "a7": 122.243231767913, - "L1": 1.32852051114705, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.167752789804, - "bs": 44.0, - "a2": 110.264470349555, - "a5": 120.709025219879, - "sidechain_LEU": null, - "chainIndex": 581, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.551818525966 - } -}, -{ - "pk": 1890, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 107, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.146519741162, - "psi": -35.1523190331213, - "oldID": "792", - "bg": 21.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.95580333223, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1892, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1888, - "terminal_flag": false, - "phi": -59.9228933921781, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.696212807219, - "chi2": 41.4986289428568, - "chi3": -39.9423700349573, - "chi1": -25.5322231808252, - "chi4": 23.9237603906336, - "chi5": null, - "a1": 121.967349378038, - "L4": 1.5233267745122, - "L5": 1.23121130069895, - "L2": 1.47770286035471, - "L3": 1.52921900760997, - "a7": 123.492558436878, - "L1": 1.33007652006971, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 4.431098433969, - "ss": "S", - "a3": 115.224409588834, - "bs": 20.0, - "a2": 102.959218600101, - "a5": 118.3391595082, - "sidechain_LEU": null, - "chainIndex": 791, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.751214940096 - } -}, -{ - "pk": 1891, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 108, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.826339109014, - "psi": 158.889422497663, - "oldID": "583", - "bg": 49.22, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.5568373341659, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1893, - "sidechain_SER": null, - "bm": 49.0, - "xpr": false, - "prev": 1889, - "terminal_flag": false, - "phi": -71.7965202535945, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.50292212504, - "chi2": -43.3668902730161, - "chi3": 33.3873591478323, - "chi1": 35.8562482570185, - "chi4": -10.6461445234748, - "chi5": null, - "a1": 122.243998555128, - "L4": 1.53060545373265, - "L5": 1.22812150067272, - "L2": 1.46634645777168, - "L3": 1.52287745467212, - "a7": 122.222333480467, - "L1": 1.33978702718168, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 0.906216649917494, - "ss": "-", - "a3": 115.784067729597, - "bs": 48.0, - "a2": 102.517842727982, - "a5": 120.951075795215, - "sidechain_LEU": null, - "chainIndex": 582, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.170957994662 - } -}, -{ - "pk": 1892, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.076764041962, - "psi": -6.33725512865126, - "oldID": "793", - "bg": 15.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2591942698936, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1894, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1890, - "terminal_flag": false, - "phi": -103.070702917576, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.297717513567, - "chi2": 90.4988535972264, - "chi3": 22.4076754019583, - "chi1": -55.8722486892506, - "chi4": null, - "chi5": null, - "a1": 121.88974548422, - "L4": 1.53996903679306, - "L5": 1.22896556007394, - "L2": 1.46882226951884, - "L3": 1.53220416840695, - "a7": 121.641543277423, - "L1": 1.33057293404386, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 129, - "omep": null, - "ss": "S", - "a3": 115.195871778489, - "bs": 16.0, - "a2": 111.242603308261, - "a5": 120.277304400992, - "sidechain_LEU": null, - "chainIndex": 792, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.724098431512 - } -}, -{ - "pk": 1893, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 81, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.443726218614, - "psi": 147.435311676666, - "oldID": "584", - "bg": 55.55, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7891705841307, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1895, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 1891, - "terminal_flag": false, - "phi": -68.2255844710381, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.211615472189, - "chi2": -46.2546172711416, - "chi3": null, - "chi1": -46.4848405577582, - "chi4": null, - "chi5": null, - "a1": 120.184981727981, - "L4": 1.51613477605384, - "L5": 1.23427587503413, - "L2": 1.46093090118117, - "L3": 1.52220202114644, - "a7": 123.046426047987, - "L1": 1.32882949688764, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.784483199565, - "bs": 56.0, - "a2": 110.915724790821, - "a5": 121.508999220847, - "sidechain_LEU": null, - "chainIndex": 583, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.196389438261 - } -}, -{ - "pk": 1894, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.765237949355, - "psi": 2.43753311164831, - "oldID": "794", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1896, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1892, - "terminal_flag": false, - "phi": 90.3240499584757, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.044229003545, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.903206816303, - "L4": 1.52530040502501, - "L5": 1.21080300932529, - "L2": 1.45893840506779, - "L3": null, - "a7": 123.211167759419, - "L1": 1.3237419682593, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 115.325560780976, - "bs": 0.0, - "a2": null, - "a5": 120.023376767963, - "sidechain_LEU": null, - "chainIndex": 793, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1895, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.813829163881, - "psi": 16.157559590122, - "oldID": "585", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1897, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 1893, - "terminal_flag": false, - "phi": 92.033643036873, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.88656855523, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.937859380828, - "L4": 1.50680258578746, - "L5": 1.23489204189435, - "L2": 1.44839179830755, - "L3": null, - "a7": 123.778998308063, - "L1": 1.32464086547594, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.199042361922, - "bs": 0.0, - "a2": null, - "a5": 120.40531489115, - "sidechain_LEU": null, - "chainIndex": 584, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1896, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.684221665514, - "psi": 134.541576623496, - "oldID": "795", - "bg": 16.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.1402169657071, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1898, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1894, - "terminal_flag": false, - "phi": -111.829290118214, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.489457458472, - "chi2": -79.2951907186731, - "chi3": null, - "chi1": -71.0819964392618, - "chi4": null, - "chi5": null, - "a1": 124.116209763993, - "L4": 1.53554596545823, - "L5": 1.24904192957927, - "L2": 1.4562168947843, - "L3": 1.52719131095721, - "a7": 122.024850888375, - "L1": 1.33316537823626, - "sidechain_ARG": null, - "sidechain_TYR": 62, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.640304649133, - "bs": 16.0, - "a2": 109.477676597923, - "a5": 121.286270598264, - "sidechain_LEU": null, - "chainIndex": 794, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.594960073848 - } -}, -{ - "pk": 1897, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.626096996977, - "psi": 135.70422604631, - "oldID": "586", - "bg": 47.03, - "sidechain_CYS": null, - "sidechain_ILE": 107, - "protein": "1TWF", - "zeta": 35.1468593961024, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1899, - "sidechain_SER": null, - "bm": 51.0, - "xpr": false, - "prev": 1895, - "terminal_flag": false, - "phi": -105.653321506356, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.853265640317, - "chi2": -58.4077103318972, - "chi3": null, - "chi1": -61.566021216796, - "chi4": null, - "chi5": null, - "a1": 121.74651726152, - "L4": 1.51354410453253, - "L5": 1.22835801023488, - "L2": 1.45437793338168, - "L3": 1.52913385271252, - "a7": 123.766990970077, - "L1": 1.32880966774777, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.468465068069, - "bs": 47.0, - "a2": 111.998655882286, - "a5": 120.592863434695, - "sidechain_LEU": null, - "chainIndex": 585, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.675953172864 - } -}, -{ - "pk": 1898, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.149978414988, - "psi": 149.723364896412, - "oldID": "796", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7788580423485, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1900, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1896, - "terminal_flag": false, - "phi": -65.5803487147636, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.454402737526, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 118.856670258785, - "L4": 1.5373870177327, - "L5": 1.2137208501023, - "L2": 1.46591697306124, - "L3": 1.52853463866095, - "a7": 121.465411602772, - "L1": 1.33099095080258, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 110.538428061606, - "bs": 15.0, - "a2": 110.172025659124, - "a5": 121.384603460886, - "sidechain_LEU": null, - "chainIndex": 795, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.000309693877 - } -}, -{ - "pk": 1899, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.268549039099, - "psi": 138.528544009931, - "oldID": "587", - "bg": 62.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.1522142005048, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1901, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 1897, - "terminal_flag": false, - "phi": -133.575511743635, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.32727466638, - "chi2": null, - "chi3": null, - "chi1": -59.3093824692875, - "chi4": null, - "chi5": null, - "a1": 122.852124124914, - "L4": 1.52138112613775, - "L5": 1.23122561107922, - "L2": 1.45308152571761, - "L3": 1.53090436511204, - "a7": 122.81242883008, - "L1": 1.32838991583073, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.671864403851, - "bs": 62.0, - "a2": 108.827890004316, - "a5": 119.916900260832, - "sidechain_LEU": null, - "chainIndex": 586, - "sidechain_HIS": 56, - "h_bond_energy": 0.0, - "a4": 111.3505136305 - } -}, -{ - "pk": 1900, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.188007527054, - "psi": 110.597441172442, - "oldID": "797", - "bg": 16.24, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7186913526171, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1902, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1898, - "terminal_flag": false, - "phi": -97.7986213330177, - "chainID": "A", - "sidechain_GLN": null, - "ome": 166.699355851924, - "chi2": 6.18204421037054, - "chi3": null, - "chi1": -83.2622108981652, - "chi4": null, - "chi5": null, - "a1": 120.395342045619, - "L4": 1.52902342263472, - "L5": 1.24022793366375, - "L2": 1.44763167290303, - "L3": 1.5345428935006, - "a7": 123.342590508556, - "L1": 1.32140068322418, - "sidechain_ARG": null, - "sidechain_TYR": 63, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.912174408398, - "bs": 16.0, - "a2": 109.423661955737, - "a5": 120.36718902025, - "sidechain_LEU": null, - "chainIndex": 796, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.91952836133 - } -}, -{ - "pk": 1901, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.659731118833, - "psi": 101.82076141685, - "oldID": "588", - "bg": 63.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7899607671764, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1903, - "sidechain_SER": null, - "bm": 61.0, - "xpr": false, - "prev": 1899, - "terminal_flag": false, - "phi": -151.565924280488, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.250913073254, - "chi2": 56.2317155532887, - "chi3": null, - "chi1": -167.55051578893, - "chi4": null, - "chi5": null, - "a1": 121.151746912459, - "L4": 1.53127782582682, - "L5": 1.22231082583447, - "L2": 1.46129783136139, - "L3": 1.53867211847281, - "a7": 121.78593648585, - "L1": 1.33238629137343, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.526637308818, - "bs": 62.0, - "a2": 109.696398524912, - "a5": 120.552819530798, - "sidechain_LEU": 151, - "chainIndex": 587, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.615549002833 - } -}, -{ - "pk": 1902, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.697666555386, - "psi": -58.3810438781528, - "oldID": "798", - "bg": 15.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7633922046943, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1904, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1900, - "terminal_flag": false, - "phi": -72.0086826905665, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.00545560071, - "chi2": 163.300501216481, - "chi3": null, - "chi1": -67.8920787085297, - "chi4": null, - "chi5": null, - "a1": 121.679765513637, - "L4": 1.52620665562573, - "L5": 1.24214871219359, - "L2": 1.4691773283968, - "L3": 1.53264504645123, - "a7": 123.979562762679, - "L1": 1.32971046056752, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 106.628968788983, - "bs": 15.0, - "a2": 111.397007700462, - "a5": 121.284364102012, - "sidechain_LEU": 152, - "chainIndex": 797, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.501344052157 - } -}, -{ - "pk": 1903, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.64160527493, - "psi": 134.534508555464, - "oldID": "589", - "bg": 65.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6313591231064, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1905, - "sidechain_SER": null, - "bm": 61.0, - "xpr": false, - "prev": 1901, - "terminal_flag": false, - "phi": -103.387549058937, - "chainID": "A", - "sidechain_GLN": 73, - "ome": 179.035974949727, - "chi2": -151.268228421546, - "chi3": 48.5576906562495, - "chi1": -76.7106357165531, - "chi4": null, - "chi5": null, - "a1": 119.733751964856, - "L4": 1.50812464484085, - "L5": 1.21924042945011, - "L2": 1.45506425069268, - "L3": 1.5268429109318, - "a7": 123.172087276351, - "L1": 1.32782197749678, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.101692393474, - "bs": 66.0, - "a2": 111.470936552018, - "a5": 120.18438492947, - "sidechain_LEU": null, - "chainIndex": 588, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.095702730626 - } -}, -{ - "pk": 1904, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.608390840176, - "psi": 120.597635996928, - "oldID": "799", - "bg": 13.89, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9968430977499, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1906, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1902, - "terminal_flag": false, - "phi": -85.2072305301807, - "chainID": "A", - "sidechain_GLN": null, - "ome": -170.180615676443, - "chi2": -81.9140139127056, - "chi3": null, - "chi1": 174.781768207296, - "chi4": null, - "chi5": null, - "a1": 125.719952221885, - "L4": 1.5454707593499, - "L5": 1.233495962247, - "L2": 1.46503175698841, - "L3": 1.53949586730733, - "a7": 122.003258971995, - "L1": 1.3424878323687, - "sidechain_ARG": null, - "sidechain_TYR": 64, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 104.891789624227, - "bs": 14.0, - "a2": 108.145692204959, - "a5": 120.353536475903, - "sidechain_LEU": null, - "chainIndex": 798, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.819969462255 - } -}, -{ - "pk": 1905, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.959005514551, - "psi": 117.746496736928, - "oldID": "590", - "bg": 61.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1344259889424, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1907, - "sidechain_SER": null, - "bm": 63.0, - "xpr": false, - "prev": 1903, - "terminal_flag": false, - "phi": -150.480811608135, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.608096055953, - "chi2": 170.187113671599, - "chi3": 56.5540390591704, - "chi1": -176.977005638231, - "chi4": 62.1863033615221, - "chi5": 0.22719357995389, - "a1": 121.503756755496, - "L4": 1.52747069494339, - "L5": 1.22625459190153, - "L2": 1.4581250392447, - "L3": 1.54031625964893, - "a7": 122.422173800751, - "L1": 1.32677137484791, - "sidechain_ARG": 94, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.455206437108, - "bs": 64.0, - "a2": 110.203462996519, - "a5": 120.598005971766, - "sidechain_LEU": null, - "chainIndex": 589, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.340000792521 - } -}, -{ - "pk": 1906, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.742595056322, - "psi": 89.6704349243433, - "oldID": "800", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1908, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1904, - "terminal_flag": false, - "phi": -129.351423114111, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.079464262669, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.39199404004, - "L4": 1.49937442607618, - "L5": 1.21766229860753, - "L2": 1.46674437101245, - "L3": null, - "a7": 124.114012505426, - "L1": 1.3347400141814, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.798020079746, - "bs": 0.0, - "a2": null, - "a5": 120.142678157575, - "sidechain_LEU": null, - "chainIndex": 799, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1907, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.845894127985, - "psi": 125.900460653521, - "oldID": "591", - "bg": 71.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7528820445991, - "sidechain_PHE": 67, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1909, - "sidechain_SER": null, - "bm": 69.0, - "xpr": false, - "prev": 1905, - "terminal_flag": false, - "phi": -104.305026949021, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.284258435191, - "chi2": 74.3590912699656, - "chi3": null, - "chi1": -64.9766768228945, - "chi4": null, - "chi5": null, - "a1": 120.879273710574, - "L4": 1.51716754453908, - "L5": 1.22746792279297, - "L2": 1.45858944163874, - "L3": 1.5317197742095, - "a7": 123.021313298656, - "L1": 1.32812414338565, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.557586175041, - "bs": 72.0, - "a2": 110.685559221884, - "a5": 120.13276096861, - "sidechain_LEU": null, - "chainIndex": 590, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.977173060138 - } -}, -{ - "pk": 1908, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 109, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.979008740705, - "psi": -2.69622194018236, - "oldID": "801", - "bg": 17.63, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.691801306039, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1910, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1906, - "terminal_flag": false, - "phi": -68.5152111366184, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.761627649755, - "chi2": -41.8739509606044, - "chi3": 36.6485561082866, - "chi1": 29.441449406278, - "chi4": -17.5763497248602, - "chi5": null, - "a1": 124.208723167577, - "L4": 1.52748167899746, - "L5": 1.23107254645673, - "L2": 1.46780987686113, - "L3": 1.543488519966, - "a7": 122.883218924964, - "L1": 1.32870214034258, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 5.59054406024998, - "ss": "T", - "a3": 116.374305202578, - "bs": 17.0, - "a2": 102.080633315986, - "a5": 119.108735037242, - "sidechain_LEU": null, - "chainIndex": 800, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.926681432916 - } -}, -{ - "pk": 1909, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 117, - "a6": 117.723798995752, - "psi": -167.318535370778, - "oldID": "592", - "bg": 73.24, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9254113570508, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1911, - "sidechain_SER": null, - "bm": 74.0, - "xpr": false, - "prev": 1907, - "terminal_flag": false, - "phi": -98.5570612319377, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.203493180636, - "chi2": -43.0600057703032, - "chi3": null, - "chi1": -62.8704522669519, - "chi4": null, - "chi5": null, - "a1": 121.149511416123, - "L4": 1.53302882803636, - "L5": 1.22582582089058, - "L2": 1.45904292770858, - "L3": 1.53826326926554, - "a7": 122.43725626036, - "L1": 1.33038583659455, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.749222880026, - "bs": 72.0, - "a2": 110.669456840107, - "a5": 119.83624308435, - "sidechain_LEU": null, - "chainIndex": 591, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.720602243518 - } -}, -{ - "pk": 1910, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.794302504584, - "psi": -16.2979216019819, - "oldID": "802", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1912, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1908, - "terminal_flag": false, - "phi": -82.93299001863, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.04195807054, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.866859103588, - "L4": 1.5229044794788, - "L5": 1.22340479454895, - "L2": 1.45443105444742, - "L3": null, - "a7": 122.058749514382, - "L1": 1.32290948996279, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.028770471905, - "bs": 0.0, - "a2": null, - "a5": 119.142851317352, - "sidechain_LEU": null, - "chainIndex": 801, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1911, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.471737042658, - "psi": -84.0801095016562, - "oldID": "593", - "bg": 89.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.022250954393, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1913, - "sidechain_SER": null, - "bm": 80.0, - "xpr": false, - "prev": 1909, - "terminal_flag": false, - "phi": -27.3308764959622, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.505858483401, - "chi2": 174.561753130125, - "chi3": 53.9791290627296, - "chi1": -82.5912419514641, - "chi4": null, - "chi5": null, - "a1": 122.091456914986, - "L4": 1.5240154016607, - "L5": 1.23557740334481, - "L2": 1.46398997344578, - "L3": 1.52445244445358, - "a7": 123.002483968338, - "L1": 1.33097073449262, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 130, - "omep": null, - "ss": "T", - "a3": 115.882389235689, - "bs": 90.0, - "a2": 110.404877579269, - "a5": 120.521342166989, - "sidechain_LEU": null, - "chainIndex": 592, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.672089229534 - } -}, -{ - "pk": 1912, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.852966249171, - "psi": 130.969834425143, - "oldID": "803", - "bg": 16.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.0565611937095, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1914, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1910, - "terminal_flag": false, - "phi": -78.1563713569496, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.410218597504, - "chi2": -59.6375593353443, - "chi3": 90.5356570422554, - "chi1": -53.7982027580495, - "chi4": -141.070167486873, - "chi5": 0.652748004375245, - "a1": 119.789311300012, - "L4": 1.52402597517657, - "L5": 1.22498516335991, - "L2": 1.46802461570625, - "L3": 1.54251728234651, - "a7": 123.024748316003, - "L1": 1.33646990853825, - "sidechain_ARG": 95, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 111.437618173313, - "bs": 18.0, - "a2": 112.890997884091, - "a5": 121.112027813194, - "sidechain_LEU": null, - "chainIndex": 802, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.556755849103 - } -}, -{ - "pk": 1913, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.256122835974, - "psi": 22.1589583497173, - "oldID": "594", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1915, - "sidechain_SER": null, - "bm": 77.0, - "xpr": false, - "prev": 1911, - "terminal_flag": false, - "phi": -105.395485308351, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.763610505, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.291689442372, - "L4": 1.5101207852894, - "L5": 1.23017941682726, - "L2": 1.45092215762915, - "L3": null, - "a7": 122.487139833061, - "L1": 1.32961292274505, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.842727908857, - "bs": 0.0, - "a2": null, - "a5": 121.256716330925, - "sidechain_LEU": null, - "chainIndex": 593, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1914, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.195698047219, - "psi": -22.2259105915373, - "oldID": "804", - "bg": 23.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.3941434073789, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1916, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 1912, - "terminal_flag": false, - "phi": -62.3420556480285, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.704258532693, - "chi2": -44.9537967952296, - "chi3": 22.7419740121684, - "chi1": -72.3031490112912, - "chi4": null, - "chi5": null, - "a1": 122.092445624149, - "L4": 1.52208752871944, - "L5": 1.24473211572601, - "L2": 1.45143566504396, - "L3": 1.53900948872199, - "a7": 122.315348483679, - "L1": 1.3233461169223, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 131, - "omep": null, - "ss": "T", - "a3": 114.735330331115, - "bs": 24.0, - "a2": 110.981532142957, - "a5": 120.476298920364, - "sidechain_LEU": null, - "chainIndex": 803, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.069806139737 - } -}, -{ - "pk": 1915, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.936115395868, - "psi": 127.049112375772, - "oldID": "595", - "bg": 73.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7070118789504, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 96, - "sidechain_TRP": null, - "next": 1917, - "sidechain_SER": null, - "bm": 73.0, - "xpr": false, - "prev": 1913, - "terminal_flag": false, - "phi": -57.7447047267586, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.467288970647, - "chi2": null, - "chi3": null, - "chi1": -56.1728297677616, - "chi4": null, - "chi5": null, - "a1": 120.014007496645, - "L4": 1.5212874864214, - "L5": 1.22882935556488, - "L2": 1.44821046010346, - "L3": 1.52645520937692, - "a7": 123.052839835496, - "L1": 1.32241411080604, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.514353743929, - "bs": 73.0, - "a2": 110.63753395412, - "a5": 121.009104986597, - "sidechain_LEU": null, - "chainIndex": 594, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.383782018213 - } -}, -{ - "pk": 1916, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 118, - "a6": 116.752061940014, - "psi": 18.127638398106, - "oldID": "805", - "bg": 17.56, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 28.5541398633383, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1918, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1914, - "terminal_flag": false, - "phi": -107.61573898923, - "chainID": "A", - "sidechain_GLN": null, - "ome": 169.779477434943, - "chi2": -9.55922554314657, - "chi3": null, - "chi1": 54.3372663407022, - "chi4": null, - "chi5": null, - "a1": 118.147525158305, - "L4": 1.51206112095632, - "L5": 1.22636074645698, - "L2": 1.45155616420267, - "L3": 1.5257997692788, - "a7": 123.137103822467, - "L1": 1.32338527932743, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.303676221713, - "bs": 17.0, - "a2": 113.403341982301, - "a5": 120.09953906174, - "sidechain_LEU": null, - "chainIndex": 804, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.208042537965 - } -}, -{ - "pk": 1917, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.642146553546, - "psi": 176.911813888575, - "oldID": "596", - "bg": 76.31, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.4698699641478, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 97, - "sidechain_TRP": null, - "next": 1919, - "sidechain_SER": null, - "bm": 74.0, - "xpr": false, - "prev": 1915, - "terminal_flag": false, - "phi": -125.865009329331, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.987822964401, - "chi2": null, - "chi3": null, - "chi1": -17.0529635498552, - "chi4": null, - "chi5": null, - "a1": 121.737753543563, - "L4": 1.5143784862824, - "L5": 1.22294163977056, - "L2": 1.45714322814812, - "L3": 1.52552430608809, - "a7": 122.341876593402, - "L1": 1.32527694113847, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.262397603177, - "bs": 75.0, - "a2": 111.382049425579, - "a5": 120.014791339806, - "sidechain_LEU": null, - "chainIndex": 595, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.314898832816 - } -}, -{ - "pk": 1918, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.974896111316, - "psi": 149.591290318573, - "oldID": "806", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1920, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1916, - "terminal_flag": false, - "phi": 131.80825291198, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.973688465687, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.928086958231, - "L4": 1.51882418603676, - "L5": 1.22521896834191, - "L2": 1.46313693239628, - "L3": null, - "a7": 123.105304388637, - "L1": 1.33293792128351, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.411583560268, - "bs": 0.0, - "a2": null, - "a5": 120.918710671718, - "sidechain_LEU": null, - "chainIndex": 805, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1919, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.979736351335, - "psi": -7.0893326650381, - "oldID": "597", - "bg": 79.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0475071116939, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1921, - "sidechain_SER": null, - "bm": 74.0, - "xpr": false, - "prev": 1917, - "terminal_flag": false, - "phi": -65.5077552494597, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.233702848718, - "chi2": 98.5915190686145, - "chi3": null, - "chi1": -40.4405987812509, - "chi4": null, - "chi5": null, - "a1": 119.671763381582, - "L4": 1.51634394095455, - "L5": 1.22971851495205, - "L2": 1.45507515543056, - "L3": 1.5170805994817, - "a7": 123.816096980238, - "L1": 1.32389329029855, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.794856020583, - "bs": 79.0, - "a2": 110.323502611921, - "a5": 121.199827643175, - "sidechain_LEU": 153, - "chainIndex": 596, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.545690692674 - } -}, -{ - "pk": 1920, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 110, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.816207733859, - "psi": -13.7674128389163, - "oldID": "807", - "bg": 13.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.1060434240184, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1922, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 1918, - "terminal_flag": false, - "phi": -75.1703746252726, - "chainID": "A", - "sidechain_GLN": null, - "ome": 172.4675767316, - "chi2": -28.9871377395441, - "chi3": 19.720834530647, - "chi1": 26.1297337939694, - "chi4": -2.71695073396588, - "chi5": null, - "a1": 121.746044274125, - "L4": 1.5404511727362, - "L5": 1.22850041236834, - "L2": 1.47224074675754, - "L3": 1.53267176166735, - "a7": 123.145592538631, - "L1": 1.33260615990982, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 0.427320610021913, - "ss": "S", - "a3": 114.434141363817, - "bs": 14.0, - "a2": 102.933168864482, - "a5": 120.036009456452, - "sidechain_LEU": null, - "chainIndex": 806, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.07294914652 - } -}, -{ - "pk": 1921, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.806889338847, - "psi": 35.5312348387126, - "oldID": "598", - "bg": 78.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3284513490691, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1923, - "sidechain_SER": null, - "bm": 76.0, - "xpr": false, - "prev": 1919, - "terminal_flag": false, - "phi": -129.855098455785, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.458765192428, - "chi2": 177.507391763488, - "chi3": null, - "chi1": -88.9545753897878, - "chi4": null, - "chi5": null, - "a1": 123.648198914272, - "L4": 1.5242001084501, - "L5": 1.23331279209049, - "L2": 1.45690287452124, - "L3": 1.52750354819103, - "a7": 123.315475299824, - "L1": 1.32772034897362, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.780134859397, - "bs": 78.0, - "a2": 110.376442501136, - "a5": 120.87402397378, - "sidechain_LEU": 154, - "chainIndex": 597, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.144966485231 - } -}, -{ - "pk": 1922, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.652946223731, - "psi": 151.942516762405, - "oldID": "808", - "bg": 13.19, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5188052117912, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1924, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1920, - "terminal_flag": false, - "phi": -134.819765031247, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.132468784116, - "chi2": 170.866981130435, - "chi3": null, - "chi1": -68.2273264210076, - "chi4": null, - "chi5": null, - "a1": 122.578250049687, - "L4": 1.52803305670805, - "L5": 1.23618414953653, - "L2": 1.46129873551786, - "L3": 1.52667516817386, - "a7": 123.061338783374, - "L1": 1.32764912150347, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 106.635581467037, - "bs": 13.0, - "a2": 110.973852603665, - "a5": 120.240034222943, - "sidechain_LEU": 155, - "chainIndex": 807, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.696263485216 - } -}, -{ - "pk": 1923, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.61177403313, - "psi": 100.169779363836, - "oldID": "599", - "bg": 74.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.677208421937, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1925, - "sidechain_SER": 95, - "bm": 75.0, - "xpr": false, - "prev": 1921, - "terminal_flag": false, - "phi": -34.0296802204877, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.709850017361, - "chi2": null, - "chi3": null, - "chi1": 57.2973303582793, - "chi4": null, - "chi5": null, - "a1": 122.198914238389, - "L4": 1.51417353571335, - "L5": 1.22698763487247, - "L2": 1.45418944179439, - "L3": 1.52705780444434, - "a7": 122.038917744489, - "L1": 1.32875290626018, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.252016064864, - "bs": 75.0, - "a2": 110.430382999138, - "a5": 121.346151023571, - "sidechain_LEU": null, - "chainIndex": 598, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.120142166919 - } -}, -{ - "pk": 1924, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 111, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.983882538602, - "psi": 147.604061952527, - "oldID": "809", - "bg": 16.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.5312624638485, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1926, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1922, - "terminal_flag": false, - "phi": -65.799121318994, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.398255346837, - "chi2": 23.4263504350847, - "chi3": -26.0379576373048, - "chi1": -10.709302932635, - "chi4": 19.4759911508297, - "chi5": null, - "a1": 121.817917784211, - "L4": 1.51073271017012, - "L5": 1.23368791847797, - "L2": 1.4623725160011, - "L3": 1.52666077168688, - "a7": 123.079373376685, - "L1": 1.32301267692695, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 1.53581860615297, - "ss": "-", - "a3": 112.185568510557, - "bs": 16.0, - "a2": 103.974628775002, - "a5": 120.883040703739, - "sidechain_LEU": null, - "chainIndex": 808, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.208949316811 - } -}, -{ - "pk": 1925, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 112, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.319867084344, - "psi": -42.3450867036047, - "oldID": "600", - "bg": 74.36, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.6494773100698, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1927, - "sidechain_SER": null, - "bm": 72.0, - "xpr": false, - "prev": 1923, - "terminal_flag": false, - "phi": -59.4893106941381, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.442033456777, - "chi2": -43.8296499829369, - "chi3": 40.9818802797701, - "chi1": 28.9803301893484, - "chi4": -24.0771759833895, - "chi5": null, - "a1": 121.231726148257, - "L4": 1.53077712015624, - "L5": 1.22885930305555, - "L2": 1.46064112411031, - "L3": 1.52912134691324, - "a7": 123.304989753735, - "L1": 1.33321071242528, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 3.0715396775256, - "ss": "T", - "a3": 111.126717711584, - "bs": 74.0, - "a2": 102.720563922732, - "a5": 120.370978424903, - "sidechain_LEU": null, - "chainIndex": 599, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.685522793351 - } -}, -{ - "pk": 1926, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.775806792315, - "psi": 138.485067830002, - "oldID": "810", - "bg": 15.86, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1270114479011, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1929, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1924, - "terminal_flag": false, - "phi": -147.299299565407, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.366166897712, - "chi2": 63.5175178599257, - "chi3": 5.22985424582825, - "chi1": 173.808194570805, - "chi4": null, - "chi5": null, - "a1": 122.241352313435, - "L4": 1.52029899195823, - "L5": 1.2350759332428, - "L2": 1.44651532685571, - "L3": 1.53265939389436, - "a7": 123.473452901986, - "L1": 1.32845500938435, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 132, - "omep": null, - "ss": "-", - "a3": 108.594835512553, - "bs": 15.0, - "a2": 110.59419081006, - "a5": 120.732036999091, - "sidechain_LEU": null, - "chainIndex": 809, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.444144702481 - } -}, -{ - "pk": 1927, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.438158734206, - "psi": -1.25157448453085, - "oldID": "601", - "bg": 70.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.4892293974913, - "sidechain_PHE": null, - "sidechain_LYS": 134, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1928, - "sidechain_SER": null, - "bm": 64.0, - "xpr": false, - "prev": 1925, - "terminal_flag": false, - "phi": -72.0686676731212, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.717092637148, - "chi2": 172.938793725994, - "chi3": -173.964777919541, - "chi1": -56.2335486153499, - "chi4": 166.154262738788, - "chi5": null, - "a1": 123.054542464989, - "L4": 1.52473978193912, - "L5": 1.23474923052637, - "L2": 1.46730973254173, - "L3": 1.52979897514779, - "a7": 123.337207013728, - "L1": 1.33497296559881, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.482899305011, - "bs": 71.0, - "a2": 110.423572621449, - "a5": 120.22420945813, - "sidechain_LEU": null, - "chainIndex": 600, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.809284972808 - } -}, -{ - "pk": 1928, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 119, - "a6": 113.464278013491, - "psi": 37.3811146501617, - "oldID": "602", - "bg": 48.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6224062075996, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1930, - "sidechain_SER": null, - "bm": 55.0, - "xpr": false, - "prev": 1927, - "terminal_flag": false, - "phi": 63.5778920555614, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.84785876041, - "chi2": 25.7990337916603, - "chi3": null, - "chi1": -161.174245310088, - "chi4": null, - "chi5": null, - "a1": 121.733382083184, - "L4": 1.53317624005129, - "L5": 1.23102549775818, - "L2": 1.45865722938828, - "L3": 1.53306228555453, - "a7": 124.028102687058, - "L1": 1.33069883584881, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 104.574392068859, - "bs": 49.0, - "a2": 109.590204083263, - "a5": 122.507540227024, - "sidechain_LEU": null, - "chainIndex": 601, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.109316309535 - } -}, -{ - "pk": 1929, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.544460793068, - "psi": 130.816370063999, - "oldID": "811", - "bg": 15.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2621325646376, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1931, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1926, - "terminal_flag": false, - "phi": -72.9040072473536, - "chainID": "A", - "sidechain_GLN": null, - "ome": 166.31775045431, - "chi2": 85.4712452921535, - "chi3": null, - "chi1": -174.305451993238, - "chi4": null, - "chi5": null, - "a1": 119.700925781741, - "L4": 1.51284475100372, - "L5": 1.21757203833901, - "L2": 1.43591805288771, - "L3": 1.53118851851628, - "a7": 123.640326148848, - "L1": 1.32790641590543, - "sidechain_ARG": null, - "sidechain_TYR": 65, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.092285021325, - "bs": 16.0, - "a2": 111.483358104697, - "a5": 119.813070691746, - "sidechain_LEU": null, - "chainIndex": 810, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.439293868621 - } -}, -{ - "pk": 1930, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 82, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.162553764592, - "psi": 179.823857104934, - "oldID": "603", - "bg": 59.85, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.5855388159283, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1932, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 1928, - "terminal_flag": false, - "phi": -79.9650188406585, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.565903234898, - "chi2": -24.0493086369586, - "chi3": null, - "chi1": -140.362273813064, - "chi4": null, - "chi5": null, - "a1": 125.69930020105, - "L4": 1.53254322172146, - "L5": 1.22536558541717, - "L2": 1.45742957007372, - "L3": 1.52958687337649, - "a7": 122.591451611553, - "L1": 1.32870884380109, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.028680277846, - "bs": 60.0, - "a2": 108.023273946048, - "a5": 121.24084612309, - "sidechain_LEU": null, - "chainIndex": 602, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.827869610088 - } -}, -{ - "pk": 1931, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.269875933195, - "psi": 152.32106172602, - "oldID": "812", - "bg": 13.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0678978607907, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1933, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 1929, - "terminal_flag": false, - "phi": -136.514857423831, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.904538619173, - "chi2": -75.7829736475247, - "chi3": null, - "chi1": -55.3738548387493, - "chi4": null, - "chi5": null, - "a1": 120.813529981015, - "L4": 1.53744230406208, - "L5": 1.24371493559398, - "L2": 1.46762396693512, - "L3": 1.53986650143517, - "a7": 122.677779801435, - "L1": 1.33574011422514, - "sidechain_ARG": null, - "sidechain_TYR": 66, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 105.923195355312, - "bs": 14.0, - "a2": 112.827383772911, - "a5": 120.046367658568, - "sidechain_LEU": null, - "chainIndex": 811, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.355544858048 - } -}, -{ - "pk": 1932, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.99773417313, - "psi": -159.723967221524, - "oldID": "604", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1934, - "sidechain_SER": null, - "bm": 46.0, - "xpr": false, - "prev": 1930, - "terminal_flag": false, - "phi": 52.1961402518721, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.306353127611, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.350142744809, - "L4": 1.51569919684541, - "L5": 1.22974928450547, - "L2": 1.45519582481198, - "L3": null, - "a7": 123.289785114237, - "L1": 1.32941156301686, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 115.490226759463, - "bs": 0.0, - "a2": null, - "a5": 120.701261739839, - "sidechain_LEU": null, - "chainIndex": 603, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1933, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.865526785557, - "psi": 127.066631904363, - "oldID": "813", - "bg": 23.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7003130163381, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1935, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 1931, - "terminal_flag": false, - "phi": -68.0053304404631, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.983559373269, - "chi2": -55.8387212177471, - "chi3": -48.3211676831719, - "chi1": -89.4357528703624, - "chi4": null, - "chi5": null, - "a1": 121.906496151703, - "L4": 1.52584563961244, - "L5": 1.22094488205441, - "L2": 1.47884130335555, - "L3": 1.53879059609392, - "a7": 121.614610020001, - "L1": 1.32871060564413, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 133, - "omep": null, - "ss": "-", - "a3": 109.806905613872, - "bs": 24.0, - "a2": 110.824532933799, - "a5": 120.389079335343, - "sidechain_LEU": null, - "chainIndex": 812, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.791489035632 - } -}, -{ - "pk": 1934, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.675558403254, - "psi": 146.074406066078, - "oldID": "605", - "bg": 44.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.331382419956, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 48, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1936, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 1932, - "terminal_flag": false, - "phi": -154.67435588409, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.739593162131, - "chi2": 59.3145426702142, - "chi3": -111.332297851598, - "chi1": -169.191106853522, - "chi4": null, - "chi5": null, - "a1": 122.281909743987, - "L4": 1.52748712782646, - "L5": 1.23515041819602, - "L2": 1.45779453788989, - "L3": 1.5266772762469, - "a7": 123.323387979639, - "L1": 1.33069981584266, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.670706007749, - "bs": 43.0, - "a2": 109.969168380394, - "a5": 120.000695232631, - "sidechain_LEU": null, - "chainIndex": 604, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.544534038038 - } -}, -{ - "pk": 1935, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 113, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.114895114748, - "psi": -19.2251400626646, - "oldID": "814", - "bg": 20.45, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.3220180487783, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1937, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 1933, - "terminal_flag": false, - "phi": -79.6610444743573, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.513527339886, - "chi2": -41.7872360602657, - "chi3": 33.3532765282838, - "chi1": 33.3743276925141, - "chi4": -11.7873079775827, - "chi5": null, - "a1": 121.47513668447, - "L4": 1.51521084875122, - "L5": 1.22864563743438, - "L2": 1.46067783446055, - "L3": 1.54000546659072, - "a7": 122.658367293078, - "L1": 1.33025035021544, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -2.07163716957415, - "ss": "-", - "a3": 115.756960689783, - "bs": 21.0, - "a2": 102.027010297162, - "a5": 119.22660804425, - "sidechain_LEU": null, - "chainIndex": 813, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.357042291995 - } -}, -{ - "pk": 1936, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.076993170718, - "psi": 97.4468907054677, - "oldID": "606", - "bg": 47.05, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0724785139268, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1938, - "sidechain_SER": null, - "bm": 46.0, - "xpr": false, - "prev": 1934, - "terminal_flag": false, - "phi": -155.042372124078, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.593547426853, - "chi2": 61.8284293812223, - "chi3": null, - "chi1": 175.172182695265, - "chi4": null, - "chi5": null, - "a1": 122.218769606479, - "L4": 1.52016257268007, - "L5": 1.22084867489453, - "L2": 1.45145931774847, - "L3": 1.52601301620506, - "a7": 122.300476983454, - "L1": 1.33192914780944, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.759489778524, - "bs": 45.0, - "a2": 110.216083222578, - "a5": 120.621984500892, - "sidechain_LEU": 156, - "chainIndex": 605, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.472955655594 - } -}, -{ - "pk": 1937, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.084334770968, - "psi": 153.502266549966, - "oldID": "815", - "bg": 29.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.884381448127, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 49, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1939, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 1935, - "terminal_flag": false, - "phi": -127.374397082462, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.788672827643, - "chi2": 173.019205177388, - "chi3": 62.5839430934283, - "chi1": -40.0747731725597, - "chi4": null, - "chi5": null, - "a1": 119.237599317762, - "L4": 1.51405295195037, - "L5": 1.22419782609498, - "L2": 1.4511643760427, - "L3": 1.53065992023559, - "a7": 123.489183635037, - "L1": 1.32343007658333, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.270589131304, - "bs": 29.0, - "a2": 109.926225182435, - "a5": 120.40146459682, - "sidechain_LEU": null, - "chainIndex": 814, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.996471744758 - } -}, -{ - "pk": 1938, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.075776409539, - "psi": 116.390056151307, - "oldID": "607", - "bg": 48.35, - "sidechain_CYS": null, - "sidechain_ILE": 108, - "protein": "1TWF", - "zeta": 35.3745210352069, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1940, - "sidechain_SER": null, - "bm": 51.0, - "xpr": false, - "prev": 1936, - "terminal_flag": false, - "phi": -109.226088777891, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.576031044166, - "chi2": 161.262778562219, - "chi3": null, - "chi1": -60.481744493601, - "chi4": null, - "chi5": null, - "a1": 120.677116970387, - "L4": 1.52226146727668, - "L5": 1.23336548919443, - "L2": 1.44923992993804, - "L3": 1.53600142347064, - "a7": 122.381491251122, - "L1": 1.32242373223648, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.332082762042, - "bs": 48.0, - "a2": 110.459135870909, - "a5": 120.542607540863, - "sidechain_LEU": null, - "chainIndex": 606, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.287379039331 - } -}, -{ - "pk": 1939, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.553321853996, - "psi": -41.0554146579523, - "oldID": "816", - "bg": 32.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.97260245407, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1941, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 1937, - "terminal_flag": false, - "phi": -73.9467083053468, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.331753042829, - "chi2": -133.804606216064, - "chi3": 75.4438504849645, - "chi1": -69.6260457926644, - "chi4": null, - "chi5": null, - "a1": 121.950543884269, - "L4": 1.51230761522239, - "L5": 1.2317577281085, - "L2": 1.45619408093213, - "L3": 1.52958258897151, - "a7": 122.896009143038, - "L1": 1.32990089883102, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 134, - "omep": null, - "ss": "S", - "a3": 110.96195618198, - "bs": 32.0, - "a2": 110.427287133008, - "a5": 121.514826126889, - "sidechain_LEU": null, - "chainIndex": 815, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 104.709455805289 - } -}, -{ - "pk": 1940, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.157486481674, - "psi": 127.788310347438, - "oldID": "608", - "bg": 54.49, - "sidechain_CYS": null, - "sidechain_ILE": 109, - "protein": "1TWF", - "zeta": 34.3572074061551, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1943, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 1938, - "terminal_flag": false, - "phi": -114.701297783914, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.861421939747, - "chi2": 175.782420629415, - "chi3": null, - "chi1": -54.4403577825078, - "chi4": null, - "chi5": null, - "a1": 119.70234399335, - "L4": 1.51863770802763, - "L5": 1.228491896863, - "L2": 1.44371006288845, - "L3": 1.55316676008449, - "a7": 122.777439798327, - "L1": 1.32552169029925, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.673361877368, - "bs": 53.0, - "a2": 110.736943138593, - "a5": 121.064190048848, - "sidechain_LEU": null, - "chainIndex": 607, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.096243448206 - } -}, -{ - "pk": 1941, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.620325773372, - "psi": 142.923639257319, - "oldID": "817", - "bg": 30.73, - "sidechain_CYS": 33, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.9536565804318, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1942, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 1939, - "terminal_flag": false, - "phi": -125.725817092517, - "chainID": "A", - "sidechain_GLN": null, - "ome": -6.31190272983065, - "chi2": null, - "chi3": null, - "chi1": -64.3114934234504, - "chi4": null, - "chi5": null, - "a1": 120.636991496008, - "L4": 1.52111847907237, - "L5": 1.22419037733574, - "L2": 1.45499056712286, - "L3": 1.52981782664184, - "a7": 123.243407260139, - "L1": 1.32650776277311, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.829285602039, - "bs": 30.0, - "a2": 108.265217011533, - "a5": 120.131711358422, - "sidechain_LEU": null, - "chainIndex": 816, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.951535185186 - } -}, -{ - "pk": 1942, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 114, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.682710525933, - "psi": 164.343920134335, - "oldID": "818", - "bg": 26.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.8802768844991, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1944, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 1941, - "terminal_flag": false, - "phi": -71.8043970042508, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.625159797164, - "chi2": -43.176156512055, - "chi3": 39.5465357208762, - "chi1": 28.5768511582081, - "chi4": -21.6104221376624, - "chi5": null, - "a1": 122.620272730086, - "L4": 1.523936952375, - "L5": 1.2181493483067, - "L2": 1.46429183022827, - "L3": 1.52922869507027, - "a7": 122.408461909886, - "L1": 1.33025808473119, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 168.854864107383, - "ss": "S", - "a3": 109.166875931832, - "bs": 27.0, - "a2": 102.636371995391, - "a5": 119.905804361224, - "sidechain_LEU": null, - "chainIndex": 817, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.789048518233 - } -}, -{ - "pk": 1943, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 120, - "a6": 116.814244090945, - "psi": 46.1260671476122, - "oldID": "609", - "bg": 55.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4317910456165, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1945, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 1940, - "terminal_flag": false, - "phi": 50.5657684393624, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.693276738148, - "chi2": 7.37959036315659, - "chi3": null, - "chi1": -163.140936948238, - "chi4": null, - "chi5": null, - "a1": 121.445926886935, - "L4": 1.52748641252813, - "L5": 1.22820357822323, - "L2": 1.45593526242294, - "L3": 1.53355876923066, - "a7": 122.747108853357, - "L1": 1.32502489245555, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.369852494455, - "bs": 54.0, - "a2": 110.509388867446, - "a5": 120.435225198403, - "sidechain_LEU": null, - "chainIndex": 608, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.647766668337 - } -}, -{ - "pk": 1944, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.378175001349, - "psi": 114.07829307814, - "oldID": "819", - "bg": 27.63, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6426380256453, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 130, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1946, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 1942, - "terminal_flag": false, - "phi": -69.3849340118592, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.715449873714, - "chi2": null, - "chi3": null, - "chi1": 172.897815710571, - "chi4": null, - "chi5": null, - "a1": 120.287965946009, - "L4": 1.53169029706001, - "L5": 1.23040632388805, - "L2": 1.45929725056842, - "L3": 1.54219573112376, - "a7": 123.10307969771, - "L1": 1.32210173087626, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.971478254749, - "bs": 27.0, - "a2": 111.374765893089, - "a5": 121.517914599405, - "sidechain_LEU": null, - "chainIndex": 818, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.726175980368 - } -}, -{ - "pk": 1945, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.109267960543, - "psi": 28.3953285401537, - "oldID": "610", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1947, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 1943, - "terminal_flag": false, - "phi": 68.04718226565, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.822704922128, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.81361492709, - "L4": 1.52089631448318, - "L5": 1.24023677226012, - "L2": 1.45474212844702, - "L3": null, - "a7": 123.305422169178, - "L1": 1.32972132591067, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 117.582754514632, - "bs": 0.0, - "a2": null, - "a5": 120.582743808373, - "sidechain_LEU": null, - "chainIndex": 609, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1946, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.495678957785, - "psi": 124.461225160324, - "oldID": "820", - "bg": 23.91, - "sidechain_CYS": null, - "sidechain_ILE": 110, - "protein": "1H0H", - "zeta": 34.7095226835805, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1948, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 1944, - "terminal_flag": false, - "phi": -123.756998721827, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.380827721251, - "chi2": 147.955711110712, - "chi3": null, - "chi1": -67.4693735210245, - "chi4": null, - "chi5": null, - "a1": 122.523387044691, - "L4": 1.52839090669657, - "L5": 1.21226116461306, - "L2": 1.45932291194558, - "L3": 1.51175883002132, - "a7": 122.499642246257, - "L1": 1.32976649678656, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.284259248246, - "bs": 23.0, - "a2": 109.02424227351, - "a5": 119.945211209881, - "sidechain_LEU": null, - "chainIndex": 819, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.054092705707 - } -}, -{ - "pk": 1947, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.631850654571, - "psi": 122.271065083689, - "oldID": "611", - "bg": 63.35, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0056409925885, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1949, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 1945, - "terminal_flag": false, - "phi": -139.830125741749, - "chainID": "A", - "sidechain_GLN": 74, - "ome": -179.959628146954, - "chi2": -76.4081241478797, - "chi3": -46.1730269008465, - "chi1": -62.3665671056246, - "chi4": null, - "chi5": null, - "a1": 122.310421193923, - "L4": 1.52372563939166, - "L5": 1.2275114657905, - "L2": 1.45626409982156, - "L3": 1.52875522774355, - "a7": 122.559921601335, - "L1": 1.32978221362557, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.319699414575, - "bs": 65.0, - "a2": 110.363773739405, - "a5": 120.801242001077, - "sidechain_LEU": null, - "chainIndex": 610, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.522974532782 - } -}, -{ - "pk": 1948, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.365750182733, - "psi": 149.082675455545, - "oldID": "821", - "bg": 29.49, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3230682393066, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1950, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 1946, - "terminal_flag": false, - "phi": -88.2402713255535, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.214666387621, - "chi2": -82.1338639013434, - "chi3": -11.3802887239466, - "chi1": -44.6435531267975, - "chi4": null, - "chi5": null, - "a1": 121.53103107732, - "L4": 1.50739887021687, - "L5": 1.22681300079516, - "L2": 1.46650952864401, - "L3": 1.53362192941533, - "a7": 122.464380453847, - "L1": 1.32687392251581, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 135, - "omep": null, - "ss": "-", - "a3": 107.713580362468, - "bs": 29.0, - "a2": 111.66199707179, - "a5": 120.163446529073, - "sidechain_LEU": null, - "chainIndex": 820, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.237434141137 - } -}, -{ - "pk": 1949, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.163455049956, - "psi": 128.019146330922, - "oldID": "612", - "bg": 56.12, - "sidechain_CYS": null, - "sidechain_ILE": 111, - "protein": "1TWF", - "zeta": 33.8323336369404, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1951, - "sidechain_SER": null, - "bm": 54.0, - "xpr": false, - "prev": 1947, - "terminal_flag": false, - "phi": -70.1427019336814, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.839707892934, - "chi2": 170.203805907532, - "chi3": null, - "chi1": 161.067616132597, - "chi4": null, - "chi5": null, - "a1": 120.262475539871, - "L4": 1.52535164175246, - "L5": 1.22366270917408, - "L2": 1.44964933923514, - "L3": 1.54578613699476, - "a7": 122.75283034357, - "L1": 1.32705167912685, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.871056473223, - "bs": 57.0, - "a2": 110.751214840333, - "a5": 121.068538988832, - "sidechain_LEU": null, - "chainIndex": 611, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.927507829831 - } -}, -{ - "pk": 1950, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.751377352314, - "psi": 155.388718105803, - "oldID": "822", - "bg": 17.91, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.6606341273537, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1952, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1948, - "terminal_flag": false, - "phi": -117.082970418414, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.746145889107, - "chi2": null, - "chi3": null, - "chi1": 75.0708691469613, - "chi4": null, - "chi5": null, - "a1": 118.645423305678, - "L4": 1.52759526462228, - "L5": 1.22828872204082, - "L2": 1.4487664991465, - "L3": 1.51513797408227, - "a7": 122.633945148317, - "L1": 1.3226304845122, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.160276892499, - "bs": 17.0, - "a2": 111.267893870569, - "a5": 120.592850896084, - "sidechain_LEU": null, - "chainIndex": 821, - "sidechain_HIS": 57, - "h_bond_energy": 0.0, - "a4": 113.408531811416 - } -}, -{ - "pk": 1951, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.314365943746, - "psi": -47.9448147532826, - "oldID": "613", - "bg": 46.42, - "sidechain_CYS": null, - "sidechain_ILE": 112, - "protein": "1TWF", - "zeta": 34.9706984501277, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1953, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 1949, - "terminal_flag": false, - "phi": -93.1746434344871, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.331247530484, - "chi2": -54.4008575969466, - "chi3": null, - "chi1": -58.898730529063, - "chi4": null, - "chi5": null, - "a1": 121.946244018254, - "L4": 1.50608428093644, - "L5": 1.23079161062571, - "L2": 1.45426042515904, - "L3": 1.52968728649709, - "a7": 122.982978765415, - "L1": 1.32652081135464, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.995802448369, - "bs": 45.0, - "a2": 110.870636821304, - "a5": 120.697149740698, - "sidechain_LEU": null, - "chainIndex": 612, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.714929941606 - } -}, -{ - "pk": 1952, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 115, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.956096810887, - "psi": 9.30173920425797, - "oldID": "823", - "bg": 17.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.3408487381884, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1954, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 1950, - "terminal_flag": false, - "phi": -92.3061328313255, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.426751792653, - "chi2": -38.0590856777362, - "chi3": 20.2818935403565, - "chi1": 40.6829059598816, - "chi4": 6.40929536214695, - "chi5": null, - "a1": 121.494546988582, - "L4": 1.53133141707495, - "L5": 1.24075791437298, - "L2": 1.46228830666266, - "L3": 1.52864758287441, - "a7": 122.899906150819, - "L1": 1.32662677001271, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 4.02528527634014, - "ss": "S", - "a3": 117.183752269839, - "bs": 17.0, - "a2": 101.282109721119, - "a5": 118.12022153395, - "sidechain_LEU": null, - "chainIndex": 822, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.246811422338 - } -}, -{ - "pk": 1953, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.914661560495, - "psi": 149.464302641653, - "oldID": "614", - "bg": 50.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.7055161350744, - "sidechain_PHE": 68, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1955, - "sidechain_SER": null, - "bm": 47.0, - "xpr": false, - "prev": 1951, - "terminal_flag": false, - "phi": -157.436250390512, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.544272279101, - "chi2": 79.1574399587449, - "chi3": null, - "chi1": 76.4333642140835, - "chi4": null, - "chi5": null, - "a1": 119.447718836233, - "L4": 1.51793673514951, - "L5": 1.23250597534696, - "L2": 1.44707793128116, - "L3": 1.52537919018095, - "a7": 123.619452466983, - "L1": 1.32669623265536, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 114.314884851294, - "bs": 51.0, - "a2": 109.803752239179, - "a5": 121.464828486578, - "sidechain_LEU": null, - "chainIndex": 613, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.380836412651 - } -}, -{ - "pk": 1954, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.252016905087, - "psi": -22.4735556192698, - "oldID": "824", - "bg": 14.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.5367253757885, - "sidechain_PHE": 69, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1956, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1952, - "terminal_flag": false, - "phi": -90.4120655989961, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.545390033274, - "chi2": -67.8957285145177, - "chi3": null, - "chi1": -54.786091999241, - "chi4": null, - "chi5": null, - "a1": 119.69932225922, - "L4": 1.51176124422476, - "L5": 1.22840573986949, - "L2": 1.4600115684532, - "L3": 1.50945922034845, - "a7": 123.510952013728, - "L1": 1.3217507988139, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 116.177846288432, - "bs": 14.0, - "a2": 110.509217593447, - "a5": 120.211978401564, - "sidechain_LEU": null, - "chainIndex": 823, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.486913712175 - } -}, -{ - "pk": 1955, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.301610759918, - "psi": 140.525160010984, - "oldID": "615", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1957, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 1953, - "terminal_flag": false, - "phi": 110.5981139238, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.637009611018, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.264791166184, - "L4": 1.5160010584625, - "L5": 1.23436574618506, - "L2": 1.44640503080619, - "L3": null, - "a7": 122.924378613455, - "L1": 1.3282504341389, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.651222638742, - "bs": 0.0, - "a2": null, - "a5": 121.772722916883, - "sidechain_LEU": null, - "chainIndex": 614, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1956, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.711358367451, - "psi": 177.360137046312, - "oldID": "825", - "bg": 14.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.0113588285823, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1958, - "sidechain_SER": 96, - "bm": 16.0, - "xpr": false, - "prev": 1954, - "terminal_flag": false, - "phi": -171.825659234674, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.072850130936, - "chi2": null, - "chi3": null, - "chi1": 84.9521046172942, - "chi4": null, - "chi5": null, - "a1": 121.668121194642, - "L4": 1.51288639658652, - "L5": 1.2320454985984, - "L2": 1.45844777176381, - "L3": 1.52495210436272, - "a7": 123.866337770948, - "L1": 1.32318808419401, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.581670383948, - "bs": 15.0, - "a2": 109.895264914426, - "a5": 120.394944888569, - "sidechain_LEU": null, - "chainIndex": 824, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.431371691029 - } -}, -{ - "pk": 1957, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.616147004633, - "psi": 132.049063824918, - "oldID": "616", - "bg": 36.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.970256895998, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 131, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1959, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 1955, - "terminal_flag": false, - "phi": -74.508461249111, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.996899928374, - "chi2": null, - "chi3": null, - "chi1": 178.465534687507, - "chi4": null, - "chi5": null, - "a1": 121.619096224728, - "L4": 1.527474447471, - "L5": 1.22744147631023, - "L2": 1.45144126249421, - "L3": 1.52876895637583, - "a7": 122.362129870236, - "L1": 1.32661986290372, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.21525080388, - "bs": 39.0, - "a2": 110.631539558077, - "a5": 120.02151822574, - "sidechain_LEU": null, - "chainIndex": 615, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.306502243341 - } -}, -{ - "pk": 1958, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.786718841574, - "psi": -3.16897771746041, - "oldID": "826", - "bg": 19.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2295940296717, - "sidechain_PHE": null, - "sidechain_LYS": 135, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1960, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1956, - "terminal_flag": false, - "phi": -83.6856319887419, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.162241672592, - "chi2": -170.156405967705, - "chi3": 177.96399069956, - "chi1": -65.9679989381799, - "chi4": 172.914019892417, - "chi5": null, - "a1": 122.920023896772, - "L4": 1.52492466248227, - "L5": 1.2306684003397, - "L2": 1.46024224934092, - "L3": 1.53699601088936, - "a7": 122.322393254578, - "L1": 1.33591158858361, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.122814103332, - "bs": 21.0, - "a2": 110.630994713701, - "a5": 119.866743310338, - "sidechain_LEU": null, - "chainIndex": 825, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.196410684075 - } -}, -{ - "pk": 1959, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.269935165734, - "psi": 122.134859812539, - "oldID": "617", - "bg": 41.09, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9486659561081, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 132, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1961, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1957, - "terminal_flag": false, - "phi": -82.8693714264427, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.690928556043, - "chi2": null, - "chi3": null, - "chi1": 169.45763752471, - "chi4": null, - "chi5": null, - "a1": 120.301834285637, - "L4": 1.53677365266508, - "L5": 1.22801537161882, - "L2": 1.45824984685819, - "L3": 1.54649073480948, - "a7": 122.627224087034, - "L1": 1.33063689704081, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.78986828081, - "bs": 39.0, - "a2": 111.178220120772, - "a5": 120.097668387205, - "sidechain_LEU": null, - "chainIndex": 616, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.592865061233 - } -}, -{ - "pk": 1960, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.719535664983, - "psi": 104.646104708197, - "oldID": "827", - "bg": 16.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9214012529056, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 98, - "sidechain_TRP": null, - "next": 1962, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1958, - "terminal_flag": false, - "phi": -90.7316219222215, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.819614650716, - "chi2": null, - "chi3": null, - "chi1": -60.8335485037668, - "chi4": null, - "chi5": null, - "a1": 119.801510241845, - "L4": 1.52167334709708, - "L5": 1.22835900485061, - "L2": 1.44504949583221, - "L3": 1.52314520267305, - "a7": 122.734555288711, - "L1": 1.33405512833305, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.151476647449, - "bs": 15.0, - "a2": 111.202686790274, - "a5": 120.540964272132, - "sidechain_LEU": null, - "chainIndex": 826, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.346970328677 - } -}, -{ - "pk": 1961, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.453985966858, - "psi": -164.350921794556, - "oldID": "618", - "bg": 44.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.3777472106427, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1963, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1959, - "terminal_flag": false, - "phi": -148.797454731172, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.152210613724, - "chi2": 57.708067772085, - "chi3": 75.1308619235938, - "chi1": 40.9682003148912, - "chi4": null, - "chi5": null, - "a1": 121.875547673175, - "L4": 1.54458998726997, - "L5": 1.22292461872114, - "L2": 1.46670110677343, - "L3": 1.53779137689674, - "a7": 121.920300857507, - "L1": 1.33504724535868, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 136, - "omep": null, - "ss": "-", - "a3": 114.260229356594, - "bs": 43.0, - "a2": 110.901801094764, - "a5": 120.615885708787, - "sidechain_LEU": null, - "chainIndex": 617, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.909020600865 - } -}, -{ - "pk": 1962, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.391059346603, - "psi": -54.1076875120628, - "oldID": "828", - "bg": 19.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.5756055867561, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1964, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1960, - "terminal_flag": false, - "phi": -66.7234206528213, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.867185039171, - "chi2": 62.7794545046485, - "chi3": null, - "chi1": -177.78674591746, - "chi4": null, - "chi5": null, - "a1": 120.222377327589, - "L4": 1.52189767676585, - "L5": 1.24852943225185, - "L2": 1.47080326842025, - "L3": 1.54138685067487, - "a7": 123.304761068889, - "L1": 1.33043203349616, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.740061071787, - "bs": 19.0, - "a2": 110.125545809769, - "a5": 120.294390586967, - "sidechain_LEU": 157, - "chainIndex": 827, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.197702819839 - } -}, -{ - "pk": 1963, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.510468120998, - "psi": -44.7990288377247, - "oldID": "619", - "bg": 35.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.2795853803801, - "sidechain_PHE": null, - "sidechain_LYS": 136, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1965, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 1961, - "terminal_flag": false, - "phi": -46.2638481578135, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.166288743655, - "chi2": 161.452932895873, - "chi3": -178.610754577482, - "chi1": -175.014619411945, - "chi4": 179.371123636465, - "chi5": null, - "a1": 121.007864252325, - "L4": 1.52968856189021, - "L5": 1.22975641973759, - "L2": 1.45481942434978, - "L3": 1.51941424503472, - "a7": 121.653062024501, - "L1": 1.32542971898873, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.600186108557, - "bs": 35.0, - "a2": 109.017347026792, - "a5": 120.835943785239, - "sidechain_LEU": null, - "chainIndex": 618, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.458654254657 - } -}, -{ - "pk": 1964, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.604198256285, - "psi": 167.172046368537, - "oldID": "829", - "bg": 19.02, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.982744156872, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1966, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1962, - "terminal_flag": false, - "phi": -113.941861158911, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.666215767717, - "chi2": null, - "chi3": null, - "chi1": -53.8001510023189, - "chi4": null, - "chi5": null, - "a1": 122.493116302643, - "L4": 1.52421679217955, - "L5": 1.2439398237782, - "L2": 1.44757614688134, - "L3": 1.52560782246525, - "a7": 124.309142402801, - "L1": 1.32869144006636, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.046714704345, - "bs": 19.0, - "a2": 110.725716141178, - "a5": 120.067475219274, - "sidechain_LEU": null, - "chainIndex": 828, - "sidechain_HIS": 58, - "h_bond_energy": 0.0, - "a4": 109.002312498314 - } -}, -{ - "pk": 1965, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.105482694178, - "psi": -40.6535603193229, - "oldID": "620", - "bg": 52.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4166380196084, - "sidechain_PHE": null, - "sidechain_LYS": 137, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1967, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 1963, - "terminal_flag": false, - "phi": -53.629007445297, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.892424392849, - "chi2": 174.866105334433, - "chi3": 167.375293323478, - "chi1": -92.4804055590667, - "chi4": -165.560757239203, - "chi5": null, - "a1": 119.258403042881, - "L4": 1.54218679367121, - "L5": 1.2254001720349, - "L2": 1.45308247174402, - "L3": 1.53183980076528, - "a7": 121.074822164647, - "L1": 1.32257632709869, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.563683723691, - "bs": 55.0, - "a2": 110.672668245713, - "a5": 120.805146210745, - "sidechain_LEU": null, - "chainIndex": 619, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.665034326164 - } -}, -{ - "pk": 1966, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 83, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.266489914163, - "psi": 122.54018353495, - "oldID": "830", - "bg": 16.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.422135092953, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1968, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1964, - "terminal_flag": false, - "phi": -58.3255035011033, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.438835494295, - "chi2": -54.1402010873466, - "chi3": null, - "chi1": -172.751635469902, - "chi4": null, - "chi5": null, - "a1": 123.595467866692, - "L4": 1.52207959997342, - "L5": 1.22381765959674, - "L2": 1.45328458114198, - "L3": 1.51984884671575, - "a7": 123.201200961847, - "L1": 1.32974556998124, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.826750145368, - "bs": 16.0, - "a2": 109.639751790612, - "a5": 119.510749727406, - "sidechain_LEU": null, - "chainIndex": 829, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.457977623555 - } -}, -{ - "pk": 1967, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.157734856684, - "psi": -40.8338448401354, - "oldID": "621", - "bg": 43.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1242624074334, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 99, - "sidechain_TRP": null, - "next": 1969, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 1965, - "terminal_flag": false, - "phi": -93.4147579596525, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.944243167021, - "chi2": null, - "chi3": null, - "chi1": -47.3665808399197, - "chi4": null, - "chi5": null, - "a1": 118.808704522913, - "L4": 1.52910885005245, - "L5": 1.22751284383434, - "L2": 1.45235317759282, - "L3": 1.5392007455213, - "a7": 121.884258242746, - "L1": 1.32356487202778, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 116.917740296979, - "bs": 39.0, - "a2": 110.818626353682, - "a5": 120.940671110297, - "sidechain_LEU": null, - "chainIndex": 620, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.927235984643 - } -}, -{ - "pk": 1968, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 116, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.212950160163, - "psi": -9.00539992827255, - "oldID": "831", - "bg": 14.96, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.628032489945, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1970, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 1966, - "terminal_flag": false, - "phi": -69.1986481366273, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.224199732857, - "chi2": -38.2965844299414, - "chi3": 31.860936284658, - "chi1": 29.2951589577709, - "chi4": -13.7985455527917, - "chi5": null, - "a1": 120.653802426735, - "L4": 1.51536211980086, - "L5": 1.22188764948515, - "L2": 1.46930411216937, - "L3": 1.53439045958628, - "a7": 123.635135330605, - "L1": 1.33221431665691, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 5.48499423798256, - "ss": "T", - "a3": 113.573695138059, - "bs": 15.0, - "a2": 103.432537682425, - "a5": 118.148585612991, - "sidechain_LEU": null, - "chainIndex": 830, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.603012750235 - } -}, -{ - "pk": 1969, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.050219647555, - "psi": -9.03476986888353, - "oldID": "622", - "bg": 33.68, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.7328770653807, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 133, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1971, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1967, - "terminal_flag": false, - "phi": -102.175509656594, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.161753856163, - "chi2": null, - "chi3": null, - "chi1": 117.794808821143, - "chi4": null, - "chi5": null, - "a1": 119.674620511689, - "L4": 1.5349261087139, - "L5": 1.23744437636614, - "L2": 1.43767504456005, - "L3": 1.53603487887105, - "a7": 123.016717805127, - "L1": 1.31645442972928, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.344971434684, - "bs": 33.0, - "a2": 107.694838112778, - "a5": 120.905712161958, - "sidechain_LEU": null, - "chainIndex": 621, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.524321162477 - } -}, -{ - "pk": 1970, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.72205268623, - "psi": -6.23322155553349, - "oldID": "832", - "bg": 16.7, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8217211848718, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 100, - "sidechain_TRP": null, - "next": 1972, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 1968, - "terminal_flag": false, - "phi": -98.8577742409057, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.710344765302, - "chi2": null, - "chi3": null, - "chi1": 61.3297123906745, - "chi4": null, - "chi5": null, - "a1": 120.37409410673, - "L4": 1.51645511792967, - "L5": 1.23294315584296, - "L2": 1.46183011381204, - "L3": 1.51753723363861, - "a7": 122.742936426231, - "L1": 1.32771642113227, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.299697006591, - "bs": 16.0, - "a2": 112.405022318962, - "a5": 120.525785321995, - "sidechain_LEU": null, - "chainIndex": 831, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.438320552125 - } -}, -{ - "pk": 1971, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.385705679017, - "psi": -175.964416372702, - "oldID": "623", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1973, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1969, - "terminal_flag": false, - "phi": -72.2697528642863, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.839351890051, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.077891809357, - "L4": 1.51728787484948, - "L5": 1.23857771067212, - "L2": 1.44928326666075, - "L3": null, - "a7": 121.564505133902, - "L1": 1.33093198708267, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 111.568397986157, - "bs": 0.0, - "a2": null, - "a5": 122.047994638157, - "sidechain_LEU": null, - "chainIndex": 622, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1972, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.031453690516, - "psi": 144.640986141608, - "oldID": "833", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5212264114285, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1974, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 1970, - "terminal_flag": false, - "phi": -78.2097888154634, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.531514613072, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.027923512231, - "L4": 1.52041054785584, - "L5": 1.23044285069807, - "L2": 1.44998654158313, - "L3": 1.51506523492456, - "a7": 122.779939844649, - "L1": 1.32421747006546, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 106.068320132271, - "bs": 19.0, - "a2": 111.415687376557, - "a5": 121.188409968827, - "sidechain_LEU": null, - "chainIndex": 832, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.529995354703 - } -}, -{ - "pk": 1973, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.655625330899, - "psi": 16.5410398312362, - "oldID": "624", - "bg": 38.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.431612835495, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1975, - "sidechain_SER": 97, - "bm": 37.0, - "xpr": false, - "prev": 1971, - "terminal_flag": false, - "phi": -75.1424667875821, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.216888581892, - "chi2": null, - "chi3": null, - "chi1": 84.3129947629871, - "chi4": null, - "chi5": null, - "a1": 118.377125078546, - "L4": 1.53397894033995, - "L5": 1.21747898122642, - "L2": 1.45537903185758, - "L3": 1.53040141017757, - "a7": 122.237166755404, - "L1": 1.3213668492718, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.483740757982, - "bs": 38.0, - "a2": 110.813972901664, - "a5": 120.106501073231, - "sidechain_LEU": null, - "chainIndex": 623, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.538155164163 - } -}, -{ - "pk": 1974, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.321535753121, - "psi": -12.7770640872788, - "oldID": "834", - "bg": 28.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2689855437311, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1976, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 1972, - "terminal_flag": false, - "phi": -108.922760876285, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.631396169992, - "chi2": 178.752814793293, - "chi3": null, - "chi1": -51.0705814055204, - "chi4": null, - "chi5": null, - "a1": 120.603369470211, - "L4": 1.52167307994706, - "L5": 1.21927024547937, - "L2": 1.44928767468377, - "L3": 1.52216222936614, - "a7": 122.364576012035, - "L1": 1.32125135865214, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.20748941371, - "bs": 28.0, - "a2": 108.694991523522, - "a5": 120.310143936423, - "sidechain_LEU": 158, - "chainIndex": 833, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.395833578145 - } -}, -{ - "pk": 1975, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.569546724279, - "psi": 153.621280489002, - "oldID": "625", - "bg": 50.29, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5164638809227, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1977, - "sidechain_SER": 98, - "bm": 46.0, - "xpr": false, - "prev": 1973, - "terminal_flag": false, - "phi": -47.3049275397039, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.670100495329, - "chi2": null, - "chi3": null, - "chi1": 45.7663864750789, - "chi4": null, - "chi5": null, - "a1": 121.746505304579, - "L4": 1.52785794941179, - "L5": 1.2322722630602, - "L2": 1.46632460585593, - "L3": 1.5167555379678, - "a7": 123.539482019456, - "L1": 1.32944177389554, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 116.007311647363, - "bs": 49.0, - "a2": 109.079009304759, - "a5": 120.866693667615, - "sidechain_LEU": null, - "chainIndex": 624, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.225734483972 - } -}, -{ - "pk": 1976, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.893727765752, - "psi": 3.57966503428629, - "oldID": "835", - "bg": 32.3, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0481727308506, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1978, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 1974, - "terminal_flag": false, - "phi": -86.3238094525698, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.696625710426, - "chi2": null, - "chi3": null, - "chi1": 67.8685564096988, - "chi4": null, - "chi5": null, - "a1": 120.627384359559, - "L4": 1.52444843000615, - "L5": 1.2413120228438, - "L2": 1.46191179373175, - "L3": 1.52375258038057, - "a7": 122.468829727143, - "L1": 1.32611873734376, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 115.994116754325, - "bs": 32.0, - "a2": 109.549636729429, - "a5": 120.619221858515, - "sidechain_LEU": null, - "chainIndex": 834, - "sidechain_HIS": 59, - "h_bond_energy": 0.0, - "a4": 109.466148765018 - } -}, -{ - "pk": 1977, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 84, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.356648462704, - "psi": -76.9287973030507, - "oldID": "626", - "bg": 59.95, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.166855000775, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1979, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 1975, - "terminal_flag": false, - "phi": -51.4764800067363, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.729138375526, - "chi2": -74.2469901354647, - "chi3": null, - "chi1": -137.355519734666, - "chi4": null, - "chi5": null, - "a1": 122.68227219329, - "L4": 1.53451612163861, - "L5": 1.23033260749978, - "L2": 1.45468828898426, - "L3": 1.53894853524067, - "a7": 121.587804784169, - "L1": 1.3318855995568, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.212341621197, - "bs": 60.0, - "a2": 110.009572957494, - "a5": 120.05399004109, - "sidechain_LEU": null, - "chainIndex": 625, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.928104073813 - } -}, -{ - "pk": 1978, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.442483717866, - "psi": 153.222596579628, - "oldID": "836", - "bg": 30.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0296351021758, - "sidechain_PHE": 70, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1980, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 1976, - "terminal_flag": false, - "phi": -92.5678455975584, - "chainID": "A", - "sidechain_GLN": null, - "ome": 172.693714675467, - "chi2": -73.8243148309353, - "chi3": null, - "chi1": -78.3678341537061, - "chi4": null, - "chi5": null, - "a1": 119.990029598847, - "L4": 1.52016218216233, - "L5": 1.23987971888025, - "L2": 1.45442159501335, - "L3": 1.5403551142994, - "a7": 123.358173684897, - "L1": 1.32534129865445, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.727301569147, - "bs": 29.0, - "a2": 110.687337099172, - "a5": 121.19422277127, - "sidechain_LEU": null, - "chainIndex": 835, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.711317972825 - } -}, -{ - "pk": 1979, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.768845361542, - "psi": 43.9087180864248, - "oldID": "627", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1981, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 1977, - "terminal_flag": false, - "phi": -94.7709966681557, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.242381267319, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 117.848065760767, - "L4": 1.51568233954376, - "L5": 1.22738892733828, - "L2": 1.44874812895921, - "L3": null, - "a7": 122.157522535761, - "L1": 1.32495312902452, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.179979116799, - "bs": 0.0, - "a2": null, - "a5": 120.073590086904, - "sidechain_LEU": null, - "chainIndex": 626, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1980, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.040588222023, - "psi": 125.61705324745, - "oldID": "837", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6109941196041, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1982, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 1978, - "terminal_flag": false, - "phi": -77.8730849208328, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.739419414767, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.908921639265, - "L4": 1.51879064807119, - "L5": 1.22980084106196, - "L2": 1.45080365058385, - "L3": 1.52898519305492, - "a7": 122.743517635575, - "L1": 1.33046740535629, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 103.287462084, - "bs": 35.0, - "a2": 111.380928391161, - "a5": 121.066422510943, - "sidechain_LEU": null, - "chainIndex": 836, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.738974120799 - } -}, -{ - "pk": 1981, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.995373097587, - "psi": -172.701287449712, - "oldID": "628", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1983, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 1979, - "terminal_flag": false, - "phi": -88.6671911467052, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.684288786449, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.734267146512, - "L4": 1.51652056563195, - "L5": 1.22877718301382, - "L2": 1.45344133771372, - "L3": null, - "a7": 123.061444974831, - "L1": 1.33006330205295, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.623925577818, - "bs": 0.0, - "a2": null, - "a5": 120.939262758713, - "sidechain_LEU": null, - "chainIndex": 627, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 1982, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.704398510868, - "psi": -75.3690812307795, - "oldID": "838", - "bg": 35.03, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5750150404283, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 101, - "sidechain_TRP": null, - "next": 1985, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 1980, - "terminal_flag": false, - "phi": -105.134710101106, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.992239193337, - "chi2": null, - "chi3": null, - "chi1": 29.7706343120358, - "chi4": null, - "chi5": null, - "a1": 121.176811697608, - "L4": 1.52898566433143, - "L5": 1.23643149436273, - "L2": 1.45766697087752, - "L3": 1.53831244058435, - "a7": 123.102728405024, - "L1": 1.32758712504527, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.652143219111, - "bs": 35.0, - "a2": 109.893662536771, - "a5": 121.192137682132, - "sidechain_LEU": null, - "chainIndex": 837, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.704128863376 - } -}, -{ - "pk": 1983, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.731142800536, - "psi": -47.2585636882688, - "oldID": "629", - "bg": 30.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6095747449053, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1984, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 1981, - "terminal_flag": false, - "phi": -52.4357350613517, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.799444728099, - "chi2": 63.5371597898539, - "chi3": null, - "chi1": -179.770102273175, - "chi4": null, - "chi5": null, - "a1": 122.26237044179, - "L4": 1.52406902399737, - "L5": 1.22223701488713, - "L2": 1.45801903811632, - "L3": 1.52664495972064, - "a7": 122.9225685239, - "L1": 1.33150589076231, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.202899733435, - "bs": 30.0, - "a2": 109.817397476268, - "a5": 120.344518083987, - "sidechain_LEU": 159, - "chainIndex": 628, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.452538246756 - } -}, -{ - "pk": 1984, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.157795076865, - "psi": -41.0746718428548, - "oldID": "630", - "bg": 32.95, - "sidechain_CYS": null, - "sidechain_ILE": 113, - "protein": "1TWF", - "zeta": 33.2919695591091, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1987, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 1983, - "terminal_flag": false, - "phi": -62.406431150161, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.856123754627, - "chi2": 162.35275980192, - "chi3": null, - "chi1": -76.9495424664531, - "chi4": null, - "chi5": null, - "a1": 121.794883077147, - "L4": 1.52515624758361, - "L5": 1.23248791131023, - "L2": 1.46053649012126, - "L3": 1.53493936780556, - "a7": 122.63944116638, - "L1": 1.33003075137371, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.709510413914, - "bs": 33.0, - "a2": 110.333339583382, - "a5": 120.20082447386, - "sidechain_LEU": null, - "chainIndex": 629, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.227468341827 - } -}, -{ - "pk": 1985, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.722406906409, - "psi": -33.9398682346365, - "oldID": "839", - "bg": 34.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0282719065033, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1986, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 1982, - "terminal_flag": false, - "phi": -56.8743743370504, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.309323781178, - "chi2": -152.355235502832, - "chi3": 85.9586676861968, - "chi1": 23.2261144225157, - "chi4": null, - "chi5": null, - "a1": 122.045390963005, - "L4": 1.52644342642465, - "L5": 1.23244986945086, - "L2": 1.46208443918936, - "L3": 1.53218995039656, - "a7": 122.354611756042, - "L1": 1.32821356229088, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 137, - "omep": null, - "ss": "S", - "a3": 114.094720291587, - "bs": 34.0, - "a2": 110.236900020368, - "a5": 120.913487340066, - "sidechain_LEU": null, - "chainIndex": 838, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.853146855996 - } -}, -{ - "pk": 1986, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.639722935276, - "psi": 162.175013439479, - "oldID": "840", - "bg": 32.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7162552318391, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1988, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 1985, - "terminal_flag": false, - "phi": -99.1880255292072, - "chainID": "A", - "sidechain_GLN": null, - "ome": 173.819624873377, - "chi2": -178.421866875831, - "chi3": -77.0770393338428, - "chi1": -57.0321869070533, - "chi4": null, - "chi5": null, - "a1": 120.378435695305, - "L4": 1.51830677149405, - "L5": 1.2379244239534, - "L2": 1.45240276246813, - "L3": 1.53533732074805, - "a7": 123.476033060744, - "L1": 1.3247968221374, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 138, - "omep": null, - "ss": "S", - "a3": 108.575147235048, - "bs": 31.0, - "a2": 111.191692329096, - "a5": 120.86989399948, - "sidechain_LEU": null, - "chainIndex": 839, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.465487521774 - } -}, -{ - "pk": 1987, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.649177288241, - "psi": -49.3419312405502, - "oldID": "631", - "bg": 39.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8998550200378, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1989, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 1984, - "terminal_flag": false, - "phi": -61.1821601997197, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.708144888496, - "chi2": null, - "chi3": null, - "chi1": -154.233672925651, - "chi4": null, - "chi5": null, - "a1": 120.955016618534, - "L4": 1.53875881198647, - "L5": 1.23165372947577, - "L2": 1.46119240838101, - "L3": 1.53809431440858, - "a7": 123.383194012582, - "L1": 1.33055400540759, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.690681922177, - "bs": 40.0, - "a2": 110.123796071698, - "a5": 120.945505810474, - "sidechain_LEU": null, - "chainIndex": 630, - "sidechain_HIS": 60, - "h_bond_energy": 0.0, - "a4": 110.357789175828 - } -}, -{ - "pk": 1988, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.222925650872, - "psi": 144.220358372026, - "oldID": "841", - "bg": 32.27, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.1856070609129, - "sidechain_PHE": null, - "sidechain_LYS": 138, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1990, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 1986, - "terminal_flag": false, - "phi": -74.3606961585944, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.015158780254, - "chi2": -163.592392538444, - "chi3": 179.160552192031, - "chi1": 68.687005125386, - "chi4": -165.120422384566, - "chi5": null, - "a1": 121.338574484496, - "L4": 1.51053226895727, - "L5": 1.23510022239436, - "L2": 1.45288656088869, - "L3": 1.52928737159108, - "a7": 122.315098453565, - "L1": 1.32781904837763, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 103.951274135684, - "bs": 31.0, - "a2": 110.232650564043, - "a5": 120.445449980516, - "sidechain_LEU": null, - "chainIndex": 840, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.177531990952 - } -}, -{ - "pk": 1989, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.951626637718, - "psi": -58.1195545843378, - "oldID": "632", - "bg": 40.75, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.21323760628, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 134, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1991, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 1987, - "terminal_flag": false, - "phi": -55.3891936355858, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.698272319851, - "chi2": null, - "chi3": null, - "chi1": 172.436724210241, - "chi4": null, - "chi5": null, - "a1": 123.14237880139, - "L4": 1.52349840084103, - "L5": 1.23360480172581, - "L2": 1.44829334048943, - "L3": 1.54091515294472, - "a7": 122.125934333521, - "L1": 1.33223249877297, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.280131889808, - "bs": 38.0, - "a2": 110.373082182858, - "a5": 120.92235772413, - "sidechain_LEU": null, - "chainIndex": 631, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.277263234789 - } -}, -{ - "pk": 1990, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.821005688098, - "psi": 140.855012128568, - "oldID": "842", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.617934728132, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1992, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 1988, - "terminal_flag": false, - "phi": -60.5882694471743, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.440521512298, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 118.558633952925, - "L4": 1.52891899346777, - "L5": 1.23384655675334, - "L2": 1.44951998862421, - "L3": 1.52077003013914, - "a7": 123.317123276109, - "L1": 1.32516760811077, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.584161138046, - "bs": 33.0, - "a2": 111.136166150919, - "a5": 120.860932121185, - "sidechain_LEU": null, - "chainIndex": 841, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.936951609366 - } -}, -{ - "pk": 1991, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.202928628346, - "psi": -47.0641997432553, - "oldID": "633", - "bg": 38.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.4894170725476, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 135, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1993, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 1989, - "terminal_flag": false, - "phi": -54.9542010051449, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.718884034839, - "chi2": null, - "chi3": null, - "chi1": -178.396663346106, - "chi4": null, - "chi5": null, - "a1": 120.157126808055, - "L4": 1.52795462322329, - "L5": 1.231595253798, - "L2": 1.45170206781477, - "L3": 1.54530264358419, - "a7": 122.287848347576, - "L1": 1.32281493010301, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.687567932568, - "bs": 39.0, - "a2": 110.010185532032, - "a5": 120.487315188585, - "sidechain_LEU": null, - "chainIndex": 632, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.858095624819 - } -}, -{ - "pk": 1992, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.883435465264, - "psi": 81.8903011670034, - "oldID": "843", - "bg": 34.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2907505300993, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 136, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1994, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 1990, - "terminal_flag": false, - "phi": -105.54538215413, - "chainID": "A", - "sidechain_GLN": null, - "ome": -173.695453555711, - "chi2": null, - "chi3": null, - "chi1": -74.6893097829897, - "chi4": null, - "chi5": null, - "a1": 121.628534008729, - "L4": 1.5440601574872, - "L5": 1.23765400349762, - "L2": 1.47403866836122, - "L3": 1.55466585127504, - "a7": 123.165221469459, - "L1": 1.32835375520884, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.079726558887, - "bs": 35.0, - "a2": 110.705337749154, - "a5": 120.888249372242, - "sidechain_LEU": null, - "chainIndex": 842, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.118228832952 - } -}, -{ - "pk": 1993, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.805817079223, - "psi": -51.2788542582783, - "oldID": "634", - "bg": 35.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.6081640440756, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 102, - "sidechain_TRP": null, - "next": 1995, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 1991, - "terminal_flag": false, - "phi": -48.8144011341562, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.341570419128, - "chi2": null, - "chi3": null, - "chi1": -52.5191540090378, - "chi4": null, - "chi5": null, - "a1": 120.608010769833, - "L4": 1.5267156396338, - "L5": 1.22518913283319, - "L2": 1.45695476652435, - "L3": 1.51683429579112, - "a7": 122.79010636365, - "L1": 1.32709746709387, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.393662088088, - "bs": 38.0, - "a2": 111.071695975543, - "a5": 120.40335624304, - "sidechain_LEU": null, - "chainIndex": 633, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.169039815617 - } -}, -{ - "pk": 1994, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.275402532581, - "psi": 108.876381258908, - "oldID": "844", - "bg": 30.6, - "sidechain_CYS": 34, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2212887449079, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1996, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 1992, - "terminal_flag": false, - "phi": -75.5326776899937, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.528298391522, - "chi2": null, - "chi3": null, - "chi1": -66.0417052482008, - "chi4": null, - "chi5": null, - "a1": 124.004089542345, - "L4": 1.52907956978782, - "L5": 1.22272914590988, - "L2": 1.46885612033411, - "L3": 1.52618847690274, - "a7": 122.74889737717, - "L1": 1.33161961256982, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 117.345802887512, - "bs": 30.0, - "a2": 107.759697557488, - "a5": 119.916512257767, - "sidechain_LEU": null, - "chainIndex": 843, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.286673785796 - } -}, -{ - "pk": 1995, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.018946967037, - "psi": -43.7302679038523, - "oldID": "635", - "bg": 41.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3036356769242, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1997, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 1993, - "terminal_flag": false, - "phi": -74.6194312849477, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.008968085064, - "chi2": -72.9041855206652, - "chi3": 146.46042692731, - "chi1": -68.6678382049427, - "chi4": -127.616213413041, - "chi5": -1.08729354749577, - "a1": 121.74157653767, - "L4": 1.51569119310344, - "L5": 1.22419410638275, - "L2": 1.46655767991992, - "L3": 1.52760204685783, - "a7": 123.113163965084, - "L1": 1.33271249877097, - "sidechain_ARG": 96, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.844951266739, - "bs": 44.0, - "a2": 110.607036359215, - "a5": 120.866904889163, - "sidechain_LEU": null, - "chainIndex": 634, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.510200569047 - } -}, -{ - "pk": 1996, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 121, - "a6": 117.380864133469, - "psi": 122.928514049207, - "oldID": "845", - "bg": 27.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0745744832721, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1998, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 1994, - "terminal_flag": false, - "phi": -67.8100613758873, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.792917215367, - "chi2": -24.936773853075, - "chi3": null, - "chi1": -166.739669877877, - "chi4": null, - "chi5": null, - "a1": 121.615704513451, - "L4": 1.53026564497283, - "L5": 1.21318003612627, - "L2": 1.47162226000997, - "L3": 1.53335183873574, - "a7": 122.445075700518, - "L1": 1.33507004968112, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.053812872037, - "bs": 27.0, - "a2": 111.00794561463, - "a5": 120.174043390802, - "sidechain_LEU": null, - "chainIndex": 844, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.971048746135 - } -}, -{ - "pk": 1997, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.011174731765, - "psi": -43.9210855973443, - "oldID": "636", - "bg": 55.75, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7532171098641, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 1999, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 1995, - "terminal_flag": false, - "phi": -70.450559985512, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.910070270419, - "chi2": 61.3432149132687, - "chi3": 44.5677797761299, - "chi1": -143.209247372916, - "chi4": null, - "chi5": null, - "a1": 122.280741484874, - "L4": 1.52493878645417, - "L5": 1.23139682025974, - "L2": 1.45064766972021, - "L3": 1.52330305134446, - "a7": 122.645118182861, - "L1": 1.32475133660458, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 139, - "omep": null, - "ss": "H", - "a3": 114.90953327337, - "bs": 56.0, - "a2": 109.067337324089, - "a5": 120.342368318106, - "sidechain_LEU": null, - "chainIndex": 635, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.469346009583 - } -}, -{ - "pk": 1998, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 117, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.871678711631, - "psi": -12.4677506133747, - "oldID": "846", - "bg": 24.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.3967113978646, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2000, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 1996, - "terminal_flag": false, - "phi": -68.1993635292587, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.63866760927, - "chi2": 28.7137703579928, - "chi3": -32.1564786305745, - "chi1": -12.9130319590034, - "chi4": 25.0547875100771, - "chi5": null, - "a1": 121.777869270856, - "L4": 1.53393403268049, - "L5": 1.21921352308333, - "L2": 1.47010480606548, - "L3": 1.53314759982584, - "a7": 122.583576180834, - "L1": 1.33020547332867, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 0.236227257679734, - "ss": "T", - "a3": 113.110533665452, - "bs": 23.0, - "a2": 103.735816579256, - "a5": 119.532392176401, - "sidechain_LEU": null, - "chainIndex": 845, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.221882777361 - } -}, -{ - "pk": 1999, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.208878749576, - "psi": -9.44921239421453, - "oldID": "637", - "bg": 47.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1418481097459, - "sidechain_PHE": null, - "sidechain_LYS": 139, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2001, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 1997, - "terminal_flag": false, - "phi": -112.006931376012, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.711003730319, - "chi2": -68.6456308923375, - "chi3": 161.515475300814, - "chi1": -54.9207221830531, - "chi4": 178.29747050418, - "chi5": null, - "a1": 120.764495711401, - "L4": 1.52589282434315, - "L5": 1.21862471804792, - "L2": 1.45753208379436, - "L3": 1.53742133367027, - "a7": 121.7603629396, - "L1": 1.3296496089505, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.644738895236, - "bs": 51.0, - "a2": 110.088329795183, - "a5": 120.030722031752, - "sidechain_LEU": null, - "chainIndex": 636, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.080339328691 - } -}, -{ - "pk": 2000, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.54112303753, - "psi": -23.3662351557196, - "oldID": "847", - "bg": 29.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.421575666839, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2002, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 1998, - "terminal_flag": false, - "phi": -64.8812717358358, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.845395465448, - "chi2": 163.644204398882, - "chi3": 76.0574295860851, - "chi1": -84.8274500248572, - "chi4": -169.743040232323, - "chi5": 0.890733538981636, - "a1": 121.364519817389, - "L4": 1.54039908727817, - "L5": 1.21021701010722, - "L2": 1.45782171160467, - "L3": 1.5351205978188, - "a7": 122.07086603846, - "L1": 1.32765225729575, - "sidechain_ARG": 97, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.849534647936, - "bs": 32.0, - "a2": 110.655927692815, - "a5": 120.387557561497, - "sidechain_LEU": null, - "chainIndex": 846, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.157713533815 - } -}, -{ - "pk": 2001, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.673909244367, - "psi": 161.886805764222, - "oldID": "638", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2003, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 1999, - "terminal_flag": false, - "phi": 100.413095103258, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.574066587047, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 118.896808827402, - "L4": 1.51852179420075, - "L5": 1.23052133704322, - "L2": 1.45257697087218, - "L3": null, - "a7": 121.707364874586, - "L1": 1.32451553809218, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.060659534639, - "bs": 0.0, - "a2": null, - "a5": 120.615098658094, - "sidechain_LEU": null, - "chainIndex": 637, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2002, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.000853881722, - "psi": 72.7886058030751, - "oldID": "848", - "bg": 17.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.043737233882, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2004, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2000, - "terminal_flag": false, - "phi": -130.68283477556, - "chainID": "A", - "sidechain_GLN": null, - "ome": -168.584683810179, - "chi2": -69.364325834232, - "chi3": null, - "chi1": -48.2968546446352, - "chi4": null, - "chi5": null, - "a1": 121.906584756414, - "L4": 1.52477489916688, - "L5": 1.22533915067649, - "L2": 1.47148580769334, - "L3": 1.52956110597657, - "a7": 122.97354492653, - "L1": 1.32635000544776, - "sidechain_ARG": null, - "sidechain_TYR": 67, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.993431986654, - "bs": 18.0, - "a2": 108.81530045891, - "a5": 120.969487434152, - "sidechain_LEU": null, - "chainIndex": 847, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.460839117402 - } -}, -{ - "pk": 2003, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 118, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.570317156818, - "psi": -41.9654729862039, - "oldID": "639", - "bg": 43.31, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5979449513575, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2005, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 2001, - "terminal_flag": false, - "phi": -59.3628600193297, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.583518172654, - "chi2": -35.5074441820734, - "chi3": 32.1703991609681, - "chi1": 24.2696798808927, - "chi4": -16.9730076572706, - "chi5": null, - "a1": 122.311001892191, - "L4": 1.53427233891327, - "L5": 1.22813803193973, - "L2": 1.47241437844133, - "L3": 1.53556892356435, - "a7": 121.475671966142, - "L1": 1.34343543495012, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -1.65323326488277, - "ss": "H", - "a3": 117.335335883227, - "bs": 41.0, - "a2": 103.527120926354, - "a5": 119.951242817089, - "sidechain_LEU": null, - "chainIndex": 638, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 114.260707040635 - } -}, -{ - "pk": 2004, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 119, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.743533371496, - "psi": -12.6302213902516, - "oldID": "849", - "bg": 16.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.7438174307714, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2006, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2002, - "terminal_flag": false, - "phi": -85.8309567658238, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.989131614604, - "chi2": -38.9458279645433, - "chi3": 23.0697963386463, - "chi1": 38.7611583838618, - "chi4": 2.4053802619932, - "chi5": null, - "a1": 122.458747262532, - "L4": 1.50971378194367, - "L5": 1.23659376087733, - "L2": 1.46303375663371, - "L3": 1.52815155012556, - "a7": 122.861895759136, - "L1": 1.32432158509495, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 12.0219435267905, - "ss": "-", - "a3": 116.851163196311, - "bs": 16.0, - "a2": 101.295150411473, - "a5": 119.392105402463, - "sidechain_LEU": null, - "chainIndex": 848, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.170004085823 - } -}, -{ - "pk": 2005, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.759661981869, - "psi": -46.9329496085295, - "oldID": "640", - "bg": 54.41, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9963771929846, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2007, - "sidechain_SER": null, - "bm": 40.0, - "xpr": false, - "prev": 2003, - "terminal_flag": false, - "phi": -62.2070019805911, - "chainID": "A", - "sidechain_GLN": 75, - "ome": 179.084466904637, - "chi2": -145.248866812825, - "chi3": 28.6910160373268, - "chi1": -88.2842749978343, - "chi4": null, - "chi5": null, - "a1": 119.003407481102, - "L4": 1.53102621340373, - "L5": 1.23742904199656, - "L2": 1.44709133460624, - "L3": 1.50398420342866, - "a7": 122.064687203216, - "L1": 1.32465542312401, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.401029924351, - "bs": 58.0, - "a2": 110.077719169331, - "a5": 120.175143987434, - "sidechain_LEU": null, - "chainIndex": 639, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.73507224811 - } -}, -{ - "pk": 2006, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.437213042517, - "psi": 150.729781180603, - "oldID": "850", - "bg": 14.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7217225946996, - "sidechain_PHE": 71, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2008, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2004, - "terminal_flag": false, - "phi": -110.317240031796, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.818843197035, - "chi2": -50.8097400809425, - "chi3": null, - "chi1": -41.1329685786815, - "chi4": null, - "chi5": null, - "a1": 119.395577287895, - "L4": 1.50810196273889, - "L5": 1.23563668377277, - "L2": 1.44958820429476, - "L3": 1.52077855455091, - "a7": 123.604593739256, - "L1": 1.32384570515739, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 114.323883909329, - "bs": 14.0, - "a2": 110.694254967505, - "a5": 121.952074651969, - "sidechain_LEU": null, - "chainIndex": 849, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.444722511767 - } -}, -{ - "pk": 2007, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.682694951057, - "psi": -44.6420772544187, - "oldID": "641", - "bg": 23.68, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8401250464633, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 137, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2009, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 2005, - "terminal_flag": false, - "phi": -60.1981935662745, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.297634171368, - "chi2": null, - "chi3": null, - "chi1": 165.9658494963, - "chi4": null, - "chi5": null, - "a1": 119.606820588699, - "L4": 1.53674741470251, - "L5": 1.22430916496289, - "L2": 1.46461426107524, - "L3": 1.56959409862498, - "a7": 122.358907607493, - "L1": 1.33082534092585, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.763328914996, - "bs": 25.0, - "a2": 111.881655721815, - "a5": 120.955055955959, - "sidechain_LEU": null, - "chainIndex": 640, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.916860730905 - } -}, -{ - "pk": 2008, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.46224026757, - "psi": 130.701101825537, - "oldID": "851", - "bg": 18.97, - "sidechain_CYS": null, - "sidechain_ILE": 114, - "protein": "1H0H", - "zeta": 35.552396494231, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2010, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2006, - "terminal_flag": false, - "phi": -88.1998266917194, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.387541036827, - "chi2": 174.374440615111, - "chi3": null, - "chi1": -64.0242178424848, - "chi4": null, - "chi5": null, - "a1": 121.701640836698, - "L4": 1.51892129213993, - "L5": 1.23407001221822, - "L2": 1.42873916472627, - "L3": 1.53188816697415, - "a7": 124.27136836451, - "L1": 1.31964451604347, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.669954507399, - "bs": 18.0, - "a2": 111.492251009239, - "a5": 120.265554690784, - "sidechain_LEU": null, - "chainIndex": 850, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.237691147043 - } -}, -{ - "pk": 2009, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.268692948023, - "psi": -43.3680215504428, - "oldID": "642", - "bg": 29.8, - "sidechain_CYS": 35, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.203155985081, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2011, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2007, - "terminal_flag": false, - "phi": -57.1651118481656, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.941646133894, - "chi2": null, - "chi3": null, - "chi1": -160.362234493214, - "chi4": null, - "chi5": null, - "a1": 121.825440670044, - "L4": 1.52721923549492, - "L5": 1.23859432747034, - "L2": 1.45927376535466, - "L3": 1.51502372501484, - "a7": 123.481003778833, - "L1": 1.32531961422142, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.244769972649, - "bs": 27.0, - "a2": 110.130458133552, - "a5": 121.250232382763, - "sidechain_LEU": null, - "chainIndex": 641, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.439176842631 - } -}, -{ - "pk": 2010, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.520686716701, - "psi": 136.028424782326, - "oldID": "852", - "bg": 17.54, - "sidechain_CYS": 36, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.88840033103, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2012, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2008, - "terminal_flag": false, - "phi": -115.400269673625, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.693921464288, - "chi2": null, - "chi3": null, - "chi1": -175.579996124053, - "chi4": null, - "chi5": null, - "a1": 122.060120217695, - "L4": 1.51532873052695, - "L5": 1.23052410885714, - "L2": 1.45833735639972, - "L3": 1.52242720539993, - "a7": 122.168228716648, - "L1": 1.32533409326541, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.654739086075, - "bs": 16.0, - "a2": 111.0578673295, - "a5": 121.29746794315, - "sidechain_LEU": null, - "chainIndex": 851, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.32734113045 - } -}, -{ - "pk": 2011, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.11547840965, - "psi": -45.2715626629467, - "oldID": "643", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6466720513062, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2013, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2009, - "terminal_flag": false, - "phi": -58.8470121714872, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.824667983809, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.280333452075, - "L4": 1.5355754744518, - "L5": 1.23543222264402, - "L2": 1.46284911381458, - "L3": 1.52757791955558, - "a7": 123.880795079102, - "L1": 1.32807121408994, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.613389446998, - "bs": 28.0, - "a2": 109.385849112403, - "a5": 121.001344750754, - "sidechain_LEU": null, - "chainIndex": 642, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.540702444873 - } -}, -{ - "pk": 2012, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.948337686684, - "psi": 156.426496260941, - "oldID": "853", - "bg": 19.17, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7609396068459, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2014, - "sidechain_SER": 99, - "bm": 15.0, - "xpr": false, - "prev": 2010, - "terminal_flag": false, - "phi": -117.939311703562, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.044216510499, - "chi2": null, - "chi3": null, - "chi1": 176.64349002989, - "chi4": null, - "chi5": null, - "a1": 121.203196238831, - "L4": 1.54608172502708, - "L5": 1.23217213961115, - "L2": 1.46073759105254, - "L3": 1.53226723993736, - "a7": 121.70599677648, - "L1": 1.32450514064316, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.407434542047, - "bs": 17.0, - "a2": 107.694890035604, - "a5": 119.344360700737, - "sidechain_LEU": null, - "chainIndex": 852, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.9363609012 - } -}, -{ - "pk": 2013, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.955925536799, - "psi": -29.3699262129879, - "oldID": "644", - "bg": 41.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.1091976032872, - "sidechain_PHE": null, - "sidechain_LYS": 140, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2015, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2011, - "terminal_flag": false, - "phi": -64.4468660189173, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.880065996569, - "chi2": 60.2733664103008, - "chi3": -174.415658467593, - "chi1": -167.358990850655, - "chi4": 176.18367664843, - "chi5": null, - "a1": 124.338103792459, - "L4": 1.53797886161631, - "L5": 1.22432687494051, - "L2": 1.45584688878171, - "L3": 1.53891715791411, - "a7": 122.444169922911, - "L1": 1.33080566085975, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.64814815008, - "bs": 44.0, - "a2": 108.490299650167, - "a5": 121.590209218147, - "sidechain_LEU": null, - "chainIndex": 643, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.212744701329 - } -}, -{ - "pk": 2014, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.137234402417, - "psi": 143.727562866018, - "oldID": "854", - "bg": 12.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7472773799087, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 103, - "sidechain_TRP": null, - "next": 2016, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2012, - "terminal_flag": false, - "phi": -117.487932617108, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.826281168936, - "chi2": null, - "chi3": null, - "chi1": 59.2138893365396, - "chi4": null, - "chi5": null, - "a1": 119.81898528871, - "L4": 1.52161669435261, - "L5": 1.23729191545307, - "L2": 1.4513967961562, - "L3": 1.5503463749957, - "a7": 122.706884256896, - "L1": 1.33835261580948, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.401195734371, - "bs": 13.0, - "a2": 113.490586992345, - "a5": 121.102012502072, - "sidechain_LEU": null, - "chainIndex": 853, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.092099474365 - } -}, -{ - "pk": 2015, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.527571851333, - "psi": -31.8137745142923, - "oldID": "645", - "bg": 32.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8215424139805, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2017, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2013, - "terminal_flag": false, - "phi": -67.1533672494284, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.989540987941, - "chi2": 69.2167584630766, - "chi3": null, - "chi1": 173.923136953735, - "chi4": null, - "chi5": null, - "a1": 122.240241582516, - "L4": 1.52461863486747, - "L5": 1.22532876957468, - "L2": 1.4534545949981, - "L3": 1.53069115175013, - "a7": 121.754983235759, - "L1": 1.32476248903645, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.931625862198, - "bs": 32.0, - "a2": 109.674321716362, - "a5": 120.709037047928, - "sidechain_LEU": 160, - "chainIndex": 644, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.069196324687 - } -}, -{ - "pk": 2016, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.214920196737, - "psi": -173.60291980401, - "oldID": "855", - "bg": 14.7, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4601170768436, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2018, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2014, - "terminal_flag": false, - "phi": -155.447961902351, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.452032036079, - "chi2": 82.1494679909737, - "chi3": null, - "chi1": 39.9889641036511, - "chi4": null, - "chi5": null, - "a1": 120.703270348077, - "L4": 1.51368605062164, - "L5": 1.22789597182532, - "L2": 1.44614919661561, - "L3": 1.52410228127116, - "a7": 123.844337869513, - "L1": 1.32436154647059, - "sidechain_ARG": null, - "sidechain_TYR": 68, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.07252188568, - "bs": 15.0, - "a2": 110.658766997945, - "a5": 119.893029364474, - "sidechain_LEU": null, - "chainIndex": 854, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.966127108666 - } -}, -{ - "pk": 2017, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.309838179559, - "psi": -47.0308962144107, - "oldID": "646", - "bg": 24.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2560340849132, - "sidechain_PHE": 72, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2019, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2015, - "terminal_flag": false, - "phi": -64.5104989113689, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.869704456363, - "chi2": 89.2190645755809, - "chi3": null, - "chi1": -84.3147869627756, - "chi4": null, - "chi5": null, - "a1": 118.836360824136, - "L4": 1.52374717972264, - "L5": 1.23320187854202, - "L2": 1.45143976665844, - "L3": 1.52573312046276, - "a7": 123.81158690623, - "L1": 1.32442838534332, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.862381169211, - "bs": 23.0, - "a2": 111.052757378822, - "a5": 120.87781051977, - "sidechain_LEU": null, - "chainIndex": 645, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.065657229057 - } -}, -{ - "pk": 2018, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.219099079656, - "psi": 167.147638539417, - "oldID": "856", - "bg": 15.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.6392676646974, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2020, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2016, - "terminal_flag": false, - "phi": -109.348442175677, - "chainID": "A", - "sidechain_GLN": null, - "ome": 167.2197306478, - "chi2": 130.915600874147, - "chi3": 164.86221386766, - "chi1": -58.6770191287642, - "chi4": 83.5671385236979, - "chi5": 4.20523893083363, - "a1": 122.214326186848, - "L4": 1.50187315215034, - "L5": 1.23009129039156, - "L2": 1.45011709774262, - "L3": 1.52798500573961, - "a7": 124.957512954112, - "L1": 1.32614092118632, - "sidechain_ARG": 98, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.44414912054, - "bs": 15.0, - "a2": 108.771588644892, - "a5": 119.786394150874, - "sidechain_LEU": null, - "chainIndex": 855, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.042481302934 - } -}, -{ - "pk": 2019, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.832272123482, - "psi": -38.7868465725148, - "oldID": "647", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2021, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2017, - "terminal_flag": false, - "phi": -66.7358922550569, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.664468503886, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.06349442844, - "L4": 1.5199314926018, - "L5": 1.2305089287641, - "L2": 1.44737352575573, - "L3": null, - "a7": 121.231880401255, - "L1": 1.33402065013467, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.864752780309, - "bs": 0.0, - "a2": null, - "a5": 119.927705353818, - "sidechain_LEU": null, - "chainIndex": 646, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2020, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.679973917747, - "psi": 160.673541042659, - "oldID": "857", - "bg": 15.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3424608723004, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 138, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2022, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2018, - "terminal_flag": false, - "phi": -121.929032306893, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.600093386527, - "chi2": null, - "chi3": null, - "chi1": -62.856296448498, - "chi4": null, - "chi5": null, - "a1": 123.647294948931, - "L4": 1.51722535977571, - "L5": 1.22416384870619, - "L2": 1.47026040653368, - "L3": 1.5577615326697, - "a7": 121.367857765558, - "L1": 1.33656184289512, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.10592765473, - "bs": 14.0, - "a2": 113.337613113854, - "a5": 121.903493085755, - "sidechain_LEU": null, - "chainIndex": 856, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.307537626889 - } -}, -{ - "pk": 2021, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 85, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.989508404562, - "psi": -48.2429422395737, - "oldID": "648", - "bg": 36.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.4688787971841, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2023, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2019, - "terminal_flag": false, - "phi": -65.3693847471629, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.673294656461, - "chi2": 3.87041266639742, - "chi3": null, - "chi1": -71.0597914624411, - "chi4": null, - "chi5": null, - "a1": 117.49533535056, - "L4": 1.51280002873863, - "L5": 1.22865318071038, - "L2": 1.45788573989175, - "L3": 1.52150249193529, - "a7": 123.055971618545, - "L1": 1.32887193265769, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.769044206872, - "bs": 36.0, - "a2": 111.489891200446, - "a5": 119.946183224099, - "sidechain_LEU": null, - "chainIndex": 647, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.804898183224 - } -}, -{ - "pk": 2022, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.765910139418, - "psi": -38.6652443354523, - "oldID": "858", - "bg": 13.7, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.4357112322937, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 104, - "sidechain_TRP": null, - "next": 2024, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2020, - "terminal_flag": false, - "phi": -60.2192471931528, - "chainID": "A", - "sidechain_GLN": null, - "ome": -170.023676646478, - "chi2": null, - "chi3": null, - "chi1": -51.1038389649724, - "chi4": null, - "chi5": null, - "a1": 119.418777923249, - "L4": 1.49955849596125, - "L5": 1.2154539802876, - "L2": 1.44437066690258, - "L3": 1.53285577061916, - "a7": 123.077011019689, - "L1": 1.32404678661454, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.100204655371, - "bs": 14.0, - "a2": 109.119090575602, - "a5": 120.147874720008, - "sidechain_LEU": null, - "chainIndex": 857, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.816978561002 - } -}, -{ - "pk": 2023, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.46366242176, - "psi": -43.0955940780002, - "oldID": "649", - "bg": 29.54, - "sidechain_CYS": null, - "sidechain_ILE": 115, - "protein": "1TWF", - "zeta": 34.333477429292, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2025, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2021, - "terminal_flag": false, - "phi": -59.5675100952637, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.323590415906, - "chi2": -169.720082363381, - "chi3": null, - "chi1": -61.6529802407696, - "chi4": null, - "chi5": null, - "a1": 120.307668705539, - "L4": 1.51742677781282, - "L5": 1.23150296213022, - "L2": 1.45542285247628, - "L3": 1.53802745899037, - "a7": 122.995429576348, - "L1": 1.33016986078067, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.253574680205, - "bs": 31.0, - "a2": 111.991266350946, - "a5": 120.535381056764, - "sidechain_LEU": null, - "chainIndex": 648, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.422813458712 - } -}, -{ - "pk": 2024, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.389176277703, - "psi": -15.3338876205148, - "oldID": "859", - "bg": 14.05, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.3580537878987, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2026, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2022, - "terminal_flag": false, - "phi": -78.8671121603262, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.978406282387, - "chi2": 76.200947162765, - "chi3": 13.206150301488, - "chi1": -59.4823956907601, - "chi4": null, - "chi5": null, - "a1": 120.066759093617, - "L4": 1.52343970292077, - "L5": 1.22823526428973, - "L2": 1.46565168110525, - "L3": 1.53456966063304, - "a7": 122.406003492797, - "L1": 1.33069851251808, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 140, - "omep": null, - "ss": "T", - "a3": 118.219255413138, - "bs": 14.0, - "a2": 109.925602440983, - "a5": 120.116891083205, - "sidechain_LEU": null, - "chainIndex": 858, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.363856141043 - } -}, -{ - "pk": 2025, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.027587243021, - "psi": -35.0679314906368, - "oldID": "650", - "bg": 20.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.6477221369635, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2027, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2023, - "terminal_flag": false, - "phi": -62.1205456261361, - "chainID": "A", - "sidechain_GLN": 76, - "ome": -179.336907395349, - "chi2": 165.163308269844, - "chi3": 19.6790717849923, - "chi1": -77.438431502216, - "chi4": null, - "chi5": null, - "a1": 120.953128301487, - "L4": 1.52270363291953, - "L5": 1.23612767032442, - "L2": 1.46167337292709, - "L3": 1.53077559719608, - "a7": 122.622341622782, - "L1": 1.32846063957539, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.507256453021, - "bs": 20.0, - "a2": 110.61239100628, - "a5": 120.331067933384, - "sidechain_LEU": null, - "chainIndex": 649, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.52124460898 - } -}, -{ - "pk": 2026, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.195503998792, - "psi": 160.389604827443, - "oldID": "860", - "bg": 14.97, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5944992559031, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2028, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2024, - "terminal_flag": false, - "phi": -113.524531163136, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.076782972923, - "chi2": null, - "chi3": null, - "chi1": -78.9442509970722, - "chi4": null, - "chi5": null, - "a1": 120.123198946871, - "L4": 1.52741478577845, - "L5": 1.25750975718646, - "L2": 1.45675396204813, - "L3": 1.53157855492443, - "a7": 123.912805907711, - "L1": 1.32787870736846, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.871381509138, - "bs": 15.0, - "a2": 110.972909799539, - "a5": 121.891664476702, - "sidechain_LEU": null, - "chainIndex": 859, - "sidechain_HIS": 61, - "h_bond_energy": 0.0, - "a4": 109.816667446332 - } -}, -{ - "pk": 2027, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.109422223582, - "psi": -38.725226586717, - "oldID": "651", - "bg": 30.68, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.94356829097, - "sidechain_PHE": null, - "sidechain_LYS": 141, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2029, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2025, - "terminal_flag": false, - "phi": -72.0769174794451, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.456210046852, - "chi2": -148.388159069321, - "chi3": -131.286377482015, - "chi1": -58.875607684492, - "chi4": -52.8728402929763, - "chi5": null, - "a1": 119.588235824522, - "L4": 1.52132606901753, - "L5": 1.23462881493985, - "L2": 1.46350810615479, - "L3": 1.53051866818413, - "a7": 122.288633636226, - "L1": 1.3318280949796, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.246231238992, - "bs": 31.0, - "a2": 111.015629007742, - "a5": 121.594301250355, - "sidechain_LEU": null, - "chainIndex": 650, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.494928287245 - } -}, -{ - "pk": 2028, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.32863842237, - "psi": 115.458007498027, - "oldID": "861", - "bg": 14.88, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7065107740805, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 37, - "next": 2030, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2026, - "terminal_flag": false, - "phi": -126.010252540778, - "chainID": "A", - "sidechain_GLN": null, - "ome": 171.550529563589, - "chi2": -118.434240350167, - "chi3": null, - "chi1": -176.93412787015, - "chi4": null, - "chi5": null, - "a1": 122.374141290367, - "L4": 1.52060635584065, - "L5": 1.22868520074576, - "L2": 1.45281295817746, - "L3": 1.54344468984313, - "a7": 123.592698720537, - "L1": 1.32543834401739, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.663531958396, - "bs": 15.0, - "a2": 110.224741764586, - "a5": 121.078294608408, - "sidechain_LEU": null, - "chainIndex": 860, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.217295720022 - } -}, -{ - "pk": 2029, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.199412244642, - "psi": -40.3142937186465, - "oldID": "652", - "bg": 33.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.621412636645, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 139, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2031, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2027, - "terminal_flag": false, - "phi": -70.8799153344545, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.092816339504, - "chi2": null, - "chi3": null, - "chi1": -171.872014192436, - "chi4": null, - "chi5": null, - "a1": 119.681486988139, - "L4": 1.51949783601118, - "L5": 1.22837654331643, - "L2": 1.44388758007132, - "L3": 1.51709009790063, - "a7": 122.804305155017, - "L1": 1.31639927716665, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.752700947969, - "bs": 33.0, - "a2": 111.245282018006, - "a5": 120.991115985959, - "sidechain_LEU": null, - "chainIndex": 651, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.006805958779 - } -}, -{ - "pk": 2030, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.795654564826, - "psi": -130.268417670448, - "oldID": "862", - "bg": 16.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7864109314658, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2032, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2028, - "terminal_flag": false, - "phi": 58.1613789655126, - "chainID": "A", - "sidechain_GLN": 77, - "ome": 177.821119162632, - "chi2": -66.7066646219369, - "chi3": 63.5750228463105, - "chi1": -56.2195808014702, - "chi4": null, - "chi5": null, - "a1": 121.668082058954, - "L4": 1.51708889058526, - "L5": 1.21998839869403, - "L2": 1.47167519624411, - "L3": 1.5305310178295, - "a7": 121.803394023543, - "L1": 1.32180706420753, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.812324632475, - "bs": 15.0, - "a2": 109.365428950519, - "a5": 119.346522797305, - "sidechain_LEU": null, - "chainIndex": 861, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.786951585383 - } -}, -{ - "pk": 2031, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.14102774316, - "psi": -47.3332769318592, - "oldID": "653", - "bg": 26.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.4628295379895, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 140, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2033, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2029, - "terminal_flag": false, - "phi": -78.5514239104238, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.177265718152, - "chi2": null, - "chi3": null, - "chi1": 176.253929258193, - "chi4": null, - "chi5": null, - "a1": 120.104721774454, - "L4": 1.52076125254191, - "L5": 1.22444575344411, - "L2": 1.44565580703213, - "L3": 1.53754763602861, - "a7": 123.314503798766, - "L1": 1.32284088863664, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.211169303322, - "bs": 25.0, - "a2": 110.287474097015, - "a5": 119.538577521461, - "sidechain_LEU": null, - "chainIndex": 652, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.728503712779 - } -}, -{ - "pk": 2032, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.922498313747, - "psi": -1.8137191022155, - "oldID": "863", - "bg": 12.22, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8172060137586, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 105, - "sidechain_TRP": null, - "next": 2034, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2030, - "terminal_flag": false, - "phi": -69.7015230195568, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.30270241194, - "chi2": null, - "chi3": null, - "chi1": 67.1639978309417, - "chi4": null, - "chi5": null, - "a1": 118.24864436306, - "L4": 1.53077298334504, - "L5": 1.21836504496398, - "L2": 1.46053102033451, - "L3": 1.54342364429748, - "a7": 122.668252307844, - "L1": 1.34612140629561, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.421059703875, - "bs": 12.0, - "a2": 113.865587357504, - "a5": 120.391983132767, - "sidechain_LEU": null, - "chainIndex": 862, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.672192404183 - } -}, -{ - "pk": 2033, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 86, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.81356708785, - "psi": -40.5117466660438, - "oldID": "654", - "bg": 36.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1469926946393, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2035, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2031, - "terminal_flag": false, - "phi": -55.1725065829187, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.29208172739, - "chi2": -6.88955628986762, - "chi3": null, - "chi1": -68.2151463468581, - "chi4": null, - "chi5": null, - "a1": 121.110534898147, - "L4": 1.52623209190333, - "L5": 1.23427783933783, - "L2": 1.45047567259245, - "L3": 1.53538952183854, - "a7": 123.922686791826, - "L1": 1.33178659304898, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.788112050255, - "bs": 35.0, - "a2": 110.868258062309, - "a5": 120.260802550999, - "sidechain_LEU": null, - "chainIndex": 653, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.550190213529 - } -}, -{ - "pk": 2034, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.557274254749, - "psi": -1.50336204385621, - "oldID": "864", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2036, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2032, - "terminal_flag": false, - "phi": 84.8877499474274, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.282050309497, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.628084884964, - "L4": 1.51869821637865, - "L5": 1.23317961786862, - "L2": 1.45073639889052, - "L3": null, - "a7": 121.572949850345, - "L1": 1.32262925051543, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 115.884262351925, - "bs": 0.0, - "a2": null, - "a5": 120.843657939274, - "sidechain_LEU": null, - "chainIndex": 863, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2035, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.69298362843, - "psi": -48.8396725850602, - "oldID": "655", - "bg": 35.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.6021111929476, - "sidechain_PHE": 73, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2037, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 2033, - "terminal_flag": false, - "phi": -64.5521229662694, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.840660528514, - "chi2": 77.5093472013413, - "chi3": null, - "chi1": -177.117902259775, - "chi4": null, - "chi5": null, - "a1": 123.487750052608, - "L4": 1.51752728487678, - "L5": 1.23675244422955, - "L2": 1.46340598295569, - "L3": 1.53527018244063, - "a7": 123.060233735138, - "L1": 1.33641744563856, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.443338177421, - "bs": 36.0, - "a2": 111.918201291149, - "a5": 121.238473233301, - "sidechain_LEU": null, - "chainIndex": 654, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.328435553773 - } -}, -{ - "pk": 2036, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.407598682482, - "psi": -50.7499275553633, - "oldID": "865", - "bg": 13.81, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6827178985405, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2038, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2034, - "terminal_flag": false, - "phi": -51.0193916001127, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.57615338209, - "chi2": 62.2104826600916, - "chi3": null, - "chi1": -176.759333972297, - "chi4": null, - "chi5": null, - "a1": 118.571962728276, - "L4": 1.53944612269176, - "L5": 1.23559032854477, - "L2": 1.43819762228894, - "L3": 1.52816907476617, - "a7": 121.907601978516, - "L1": 1.33093115555711, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.282718888313, - "bs": 13.0, - "a2": 110.586704030024, - "a5": 121.678009425107, - "sidechain_LEU": 161, - "chainIndex": 864, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.968594741927 - } -}, -{ - "pk": 2037, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.177932446319, - "psi": -31.2550067894486, - "oldID": "656", - "bg": 34.21, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6920701274333, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 38, - "next": 2039, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 2035, - "terminal_flag": false, - "phi": -64.6201787179116, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.507488832551, - "chi2": 80.8160834348524, - "chi3": null, - "chi1": -172.733913959302, - "chi4": null, - "chi5": null, - "a1": 119.913658052427, - "L4": 1.51408013996971, - "L5": 1.23150337035825, - "L2": 1.44656639673179, - "L3": 1.51513410562408, - "a7": 123.447064982845, - "L1": 1.3270506572273, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.746577848163, - "bs": 31.0, - "a2": 111.780346302461, - "a5": 120.367745762214, - "sidechain_LEU": null, - "chainIndex": 655, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.472030517824 - } -}, -{ - "pk": 2038, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.759426079832, - "psi": -42.7784803446593, - "oldID": "866", - "bg": 15.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.303248642833, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 50, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2040, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2036, - "terminal_flag": false, - "phi": -66.2443821040791, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.154929368586, - "chi2": 175.893868158314, - "chi3": 74.8125096016172, - "chi1": -64.6617419499977, - "chi4": null, - "chi5": null, - "a1": 120.243679209539, - "L4": 1.53128213542466, - "L5": 1.23505184610931, - "L2": 1.44801792490526, - "L3": 1.52391217878324, - "a7": 123.421060365382, - "L1": 1.32549258945147, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.026261851589, - "bs": 15.0, - "a2": 109.503075827146, - "a5": 120.783938912242, - "sidechain_LEU": null, - "chainIndex": 865, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.255199766396 - } -}, -{ - "pk": 2039, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.486878719683, - "psi": -30.7974720695078, - "oldID": "657", - "bg": 30.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8360774033761, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2041, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2037, - "terminal_flag": false, - "phi": -77.9928376294013, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.626897809981, - "chi2": 61.0178870940742, - "chi3": null, - "chi1": -168.573442854758, - "chi4": null, - "chi5": null, - "a1": 121.870803886874, - "L4": 1.51800062463002, - "L5": 1.22673099723498, - "L2": 1.45452662198129, - "L3": 1.53354986229843, - "a7": 123.042530222776, - "L1": 1.32775267843527, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.685484850057, - "bs": 29.0, - "a2": 110.527904545342, - "a5": 120.470587652196, - "sidechain_LEU": 162, - "chainIndex": 656, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.322339340897 - } -}, -{ - "pk": 2040, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.862398156358, - "psi": -28.3745866471408, - "oldID": "867", - "bg": 13.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.5683968847828, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 106, - "sidechain_TRP": null, - "next": 2042, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2038, - "terminal_flag": false, - "phi": -89.2553682310165, - "chainID": "A", - "sidechain_GLN": null, - "ome": 169.035362962473, - "chi2": null, - "chi3": null, - "chi1": 56.0156286312641, - "chi4": null, - "chi5": null, - "a1": 121.436760621789, - "L4": 1.52864138358765, - "L5": 1.23964116663911, - "L2": 1.46491429734876, - "L3": 1.52435696219098, - "a7": 122.005452979675, - "L1": 1.31856755094826, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.999486862239, - "bs": 13.0, - "a2": 109.124160961208, - "a5": 121.132095636619, - "sidechain_LEU": null, - "chainIndex": 866, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.493163879568 - } -}, -{ - "pk": 2041, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.841242519519, - "psi": -12.058640438036, - "oldID": "658", - "bg": 31.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8506585490819, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2043, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2039, - "terminal_flag": false, - "phi": -69.9099717651918, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.862520312116, - "chi2": 61.8170062265165, - "chi3": null, - "chi1": 170.282090113912, - "chi4": null, - "chi5": null, - "a1": 121.7783511466, - "L4": 1.51839159936224, - "L5": 1.22804724155075, - "L2": 1.45755922895657, - "L3": 1.5414796325157, - "a7": 122.299804804869, - "L1": 1.33082210085474, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.57150476536, - "bs": 28.0, - "a2": 110.336683075809, - "a5": 120.85379001553, - "sidechain_LEU": 163, - "chainIndex": 657, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.303087581511 - } -}, -{ - "pk": 2042, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.429169189934, - "psi": -30.7792890230269, - "oldID": "868", - "bg": 14.11, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.760150355612, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2044, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2040, - "terminal_flag": false, - "phi": -63.3801562334833, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.43732327617, - "chi2": -177.319679493704, - "chi3": -90.1498147859022, - "chi1": -67.3575274926276, - "chi4": 122.726304129447, - "chi5": -1.68911657005424, - "a1": 120.764883877257, - "L4": 1.5296050238924, - "L5": 1.21705094938453, - "L2": 1.45847029374043, - "L3": 1.54934696745443, - "a7": 122.835006634358, - "L1": 1.32791650007568, - "sidechain_ARG": 99, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.148815325558, - "bs": 13.0, - "a2": 113.097399400733, - "a5": 119.714854201237, - "sidechain_LEU": null, - "chainIndex": 867, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.824113975295 - } -}, -{ - "pk": 2043, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.745942990201, - "psi": 0.52217610107298, - "oldID": "659", - "bg": 31.56, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.2623254941462, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2045, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2041, - "terminal_flag": false, - "phi": -118.870070027309, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.601922656815, - "chi2": null, - "chi3": null, - "chi1": -65.2630419004967, - "chi4": null, - "chi5": null, - "a1": 118.562287825805, - "L4": 1.49698811249293, - "L5": 1.23129822750169, - "L2": 1.44589896122092, - "L3": 1.5206074415783, - "a7": 123.484070231896, - "L1": 1.32386045621882, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.413890640841, - "bs": 33.0, - "a2": 109.891345108023, - "a5": 121.758402976682, - "sidechain_LEU": null, - "chainIndex": 658, - "sidechain_HIS": 62, - "h_bond_energy": 0.0, - "a4": 111.969147913865 - } -}, -{ - "pk": 2044, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 87, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.434111018524, - "psi": 6.97068754568568, - "oldID": "869", - "bg": 16.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2935058582518, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2047, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2042, - "terminal_flag": false, - "phi": -89.5671521487547, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.408346783148, - "chi2": -75.8770970094765, - "chi3": null, - "chi1": -77.589306671075, - "chi4": null, - "chi5": null, - "a1": 121.221648960707, - "L4": 1.5441250705232, - "L5": 1.23041463842496, - "L2": 1.46752659099982, - "L3": 1.5320840782671, - "a7": 123.898869906858, - "L1": 1.34591428226041, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.362055715048, - "bs": 15.0, - "a2": 111.305450880289, - "a5": 119.663015096659, - "sidechain_LEU": null, - "chainIndex": 868, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.569328096819 - } -}, -{ - "pk": 2045, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 88, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.971002275499, - "psi": -44.1927181715163, - "oldID": "660", - "bg": 29.21, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.8357613000328, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2046, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2043, - "terminal_flag": false, - "phi": -106.781425471491, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.204753125491, - "chi2": 87.6097088035597, - "chi3": null, - "chi1": 178.461793204531, - "chi4": null, - "chi5": null, - "a1": 120.059895815541, - "L4": 1.50652791531717, - "L5": 1.22989033847024, - "L2": 1.43462781082055, - "L3": 1.51764601728658, - "a7": 122.898255761188, - "L1": 1.32058403558574, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 105.702829559372, - "bs": 30.0, - "a2": 110.396084573482, - "a5": 122.128932469647, - "sidechain_LEU": null, - "chainIndex": 659, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.22365427308 - } -}, -{ - "pk": 2046, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.285059690652, - "psi": 146.747435551604, - "oldID": "661", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2048, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2045, - "terminal_flag": false, - "phi": 79.7154324960118, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.596709995417, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.442856363851, - "L4": 1.53271705130987, - "L5": 1.25299682767521, - "L2": 1.44853961180869, - "L3": null, - "a7": 122.817184504917, - "L1": 1.32291090268663, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.607480304633, - "bs": 0.0, - "a2": null, - "a5": 122.886479749122, - "sidechain_LEU": null, - "chainIndex": 660, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2047, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 119.080743252307, - "psi": 100.522701548511, - "oldID": "870", - "bg": 16.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.785284792141, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 107, - "sidechain_TRP": null, - "next": 2049, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2044, - "terminal_flag": false, - "phi": -107.32981139063, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.425091046868, - "chi2": null, - "chi3": null, - "chi1": -62.7615669917832, - "chi4": null, - "chi5": null, - "a1": 124.633537974887, - "L4": 1.54512950771026, - "L5": 1.22178457787068, - "L2": 1.46141212743717, - "L3": 1.52803288442798, - "a7": 121.316693709697, - "L1": 1.33144535072415, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.317626199655, - "bs": 15.0, - "a2": 110.273783697465, - "a5": 119.591868731569, - "sidechain_LEU": null, - "chainIndex": 869, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.767476397501 - } -}, -{ - "pk": 2048, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.863582907681, - "psi": 143.07357011874, - "oldID": "662", - "bg": 27.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9891153478512, - "sidechain_PHE": 74, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2050, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2046, - "terminal_flag": false, - "phi": -150.277769114409, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.186181958399, - "chi2": 71.3757829520472, - "chi3": null, - "chi1": -174.467672956366, - "chi4": null, - "chi5": null, - "a1": 123.55349559196, - "L4": 1.52779679972216, - "L5": 1.23840165463182, - "L2": 1.46125578121688, - "L3": 1.5243359614468, - "a7": 122.728141769602, - "L1": 1.33215864294257, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 106.985304341034, - "bs": 25.0, - "a2": 111.808302577073, - "a5": 120.380141330179, - "sidechain_LEU": null, - "chainIndex": 661, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.561651236796 - } -}, -{ - "pk": 2049, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 120, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.509705785654, - "psi": -44.0230312312399, - "oldID": "871", - "bg": 14.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.0727301315586, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2051, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2047, - "terminal_flag": false, - "phi": -48.2422563729085, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.480800040361, - "chi2": 38.8552531059443, - "chi3": -31.3163728956899, - "chi1": -31.9838535051412, - "chi4": 11.3704934176778, - "chi5": null, - "a1": 120.205690778028, - "L4": 1.52388793490486, - "L5": 1.23587856298152, - "L2": 1.46562475757364, - "L3": 1.54946579561913, - "a7": 122.022412162318, - "L1": 1.33698038739441, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -0.538143826523415, - "ss": "H", - "a3": 117.590078112584, - "bs": 13.0, - "a2": 103.544682010777, - "a5": 120.455202881681, - "sidechain_LEU": null, - "chainIndex": 870, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.580467299286 - } -}, -{ - "pk": 2050, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.5855008421, - "psi": -179.641147113537, - "oldID": "663", - "bg": 20.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.4558813368975, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2052, - "sidechain_SER": 100, - "bm": 23.0, - "xpr": false, - "prev": 2048, - "terminal_flag": false, - "phi": -151.350041590285, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.442597559868, - "chi2": null, - "chi3": null, - "chi1": -160.760839602766, - "chi4": null, - "chi5": null, - "a1": 121.498307487095, - "L4": 1.5216196149986, - "L5": 1.22132874434725, - "L2": 1.46811689615183, - "L3": 1.5380943780149, - "a7": 122.78495043492, - "L1": 1.33237230245042, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.136085672816, - "bs": 20.0, - "a2": 108.820514964353, - "a5": 119.613248587885, - "sidechain_LEU": null, - "chainIndex": 662, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.772645121709 - } -}, -{ - "pk": 2051, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.944026142555, - "psi": -32.2203416217298, - "oldID": "872", - "bg": 13.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5777538917404, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 39, - "next": 2053, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2049, - "terminal_flag": false, - "phi": -60.9681613169368, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.034148264385, - "chi2": -35.1455358400627, - "chi3": null, - "chi1": -64.6049674878284, - "chi4": null, - "chi5": null, - "a1": 119.83047097708, - "L4": 1.51907413149106, - "L5": 1.24740831611431, - "L2": 1.45827229987135, - "L3": 1.5364643935775, - "a7": 123.163972859102, - "L1": 1.32229878009934, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.445834685566, - "bs": 15.0, - "a2": 110.715839498876, - "a5": 119.853074756558, - "sidechain_LEU": null, - "chainIndex": 871, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.309979765745 - } -}, -{ - "pk": 2052, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.955601255066, - "psi": 147.605872216717, - "oldID": "664", - "bg": 37.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2291183201855, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 108, - "sidechain_TRP": null, - "next": 2054, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2050, - "terminal_flag": false, - "phi": -154.948466112558, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.975666847588, - "chi2": null, - "chi3": null, - "chi1": -69.771649096236, - "chi4": null, - "chi5": null, - "a1": 122.936260619474, - "L4": 1.51887449517502, - "L5": 1.21949055550725, - "L2": 1.47574991873437, - "L3": 1.56147062644903, - "a7": 123.21852192657, - "L1": 1.33500285060369, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 106.037659571829, - "bs": 33.0, - "a2": 112.340991889377, - "a5": 118.825521531802, - "sidechain_LEU": null, - "chainIndex": 663, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.341631606449 - } -}, -{ - "pk": 2053, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.864270552833, - "psi": -46.0411615670126, - "oldID": "873", - "bg": 11.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6586930346726, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2055, - "sidechain_SER": null, - "bm": 12.0, - "xpr": false, - "prev": 2051, - "terminal_flag": false, - "phi": -81.465398279842, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.286109526081, - "chi2": 179.375194815063, - "chi3": null, - "chi1": -62.8328285656012, - "chi4": null, - "chi5": null, - "a1": 121.717311307289, - "L4": 1.52800669465996, - "L5": 1.23770868138203, - "L2": 1.47325761202715, - "L3": 1.54025047425863, - "a7": 123.40074636004, - "L1": 1.33419695737705, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.678431343958, - "bs": 12.0, - "a2": 110.289442357356, - "a5": 120.734703848159, - "sidechain_LEU": 164, - "chainIndex": 872, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.470630782234 - } -}, -{ - "pk": 2054, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.639760961512, - "psi": -174.531250336782, - "oldID": "665", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2056, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2052, - "terminal_flag": false, - "phi": -157.471513802427, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.016383565832, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.118202139197, - "L4": 1.51923666561423, - "L5": 1.22849811158661, - "L2": 1.46387600596373, - "L3": null, - "a7": 121.861882999843, - "L1": 1.33666779392761, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.672548962153, - "bs": 0.0, - "a2": null, - "a5": 119.497999044605, - "sidechain_LEU": null, - "chainIndex": 664, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2055, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.306641731581, - "psi": -38.2722587206023, - "oldID": "874", - "bg": 13.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8005822798778, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2058, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2053, - "terminal_flag": false, - "phi": -57.3494792383905, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.571245720597, - "chi2": 65.0272157666677, - "chi3": null, - "chi1": -172.308980151511, - "chi4": null, - "chi5": null, - "a1": 121.42022259042, - "L4": 1.53933681252338, - "L5": 1.22792081303601, - "L2": 1.45699415611601, - "L3": 1.52860811387152, - "a7": 122.374475071661, - "L1": 1.32914794532269, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.573890510248, - "bs": 13.0, - "a2": 112.53565964444, - "a5": 120.26627910219, - "sidechain_LEU": 165, - "chainIndex": 873, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.816408881329 - } -}, -{ - "pk": 2056, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.433754966732, - "psi": -36.6116570549738, - "oldID": "666", - "bg": 31.97, - "sidechain_CYS": null, - "sidechain_ILE": 116, - "protein": "1TWF", - "zeta": 36.2083206214481, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2057, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2054, - "terminal_flag": false, - "phi": -57.148909702087, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.064276603067, - "chi2": -179.219168015609, - "chi3": null, - "chi1": -19.1083190293264, - "chi4": null, - "chi5": null, - "a1": 120.363361956215, - "L4": 1.51203197026237, - "L5": 1.23389229127637, - "L2": 1.47629892350505, - "L3": 1.53269503918131, - "a7": 124.368989283238, - "L1": 1.33420541814533, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 111.930799107439, - "bs": 31.0, - "a2": 112.598259332751, - "a5": 121.134918742708, - "sidechain_LEU": null, - "chainIndex": 665, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 104.73661993367 - } -}, -{ - "pk": 2057, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.854049253672, - "psi": -43.3176054875367, - "oldID": "667", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2060, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2056, - "terminal_flag": false, - "phi": -50.1006496866538, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.378589258477, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.973261479939, - "L4": 1.51066684342857, - "L5": 1.23530621172685, - "L2": 1.44978985788429, - "L3": null, - "a7": 123.450459302851, - "L1": 1.33180508628224, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.357036563858, - "bs": 0.0, - "a2": null, - "a5": 121.695289466636, - "sidechain_LEU": null, - "chainIndex": 666, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2058, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.339334775399, - "psi": -41.2976340896195, - "oldID": "875", - "bg": 16.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7134723288923, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2059, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2055, - "terminal_flag": false, - "phi": -54.8081647722947, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.370580120639, - "chi2": 178.947779456848, - "chi3": 51.2358673870697, - "chi1": 174.045792970819, - "chi4": null, - "chi5": null, - "a1": 120.767431453624, - "L4": 1.53781989919541, - "L5": 1.23690144662413, - "L2": 1.4678495252353, - "L3": 1.54602481393059, - "a7": 122.861146311477, - "L1": 1.33493704534807, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 141, - "omep": null, - "ss": "H", - "a3": 111.449342696189, - "bs": 16.0, - "a2": 110.973165540659, - "a5": 120.796595433177, - "sidechain_LEU": null, - "chainIndex": 874, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.173575678193 - } -}, -{ - "pk": 2059, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.387906578133, - "psi": -30.9162245096262, - "oldID": "876", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.1885263885307, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2061, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2058, - "terminal_flag": false, - "phi": -76.4552754422606, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.734207644007, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.567185039719, - "L4": 1.53616623442972, - "L5": 1.24362114561095, - "L2": 1.47000481812662, - "L3": 1.52515481636145, - "a7": 123.602445280893, - "L1": 1.32704457588953, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.565989636627, - "bs": 13.0, - "a2": 111.356363972704, - "a5": 120.009407402036, - "sidechain_LEU": null, - "chainIndex": 875, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.471615659128 - } -}, -{ - "pk": 2060, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 122, - "a6": 116.988991959676, - "psi": -6.10679009225237, - "oldID": "668", - "bg": 37.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3730369960262, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2062, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2057, - "terminal_flag": false, - "phi": -63.6405234901274, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.853621116456, - "chi2": -62.0590783636824, - "chi3": null, - "chi1": -61.6826829238482, - "chi4": null, - "chi5": null, - "a1": 122.372924589486, - "L4": 1.52562790403141, - "L5": 1.22532702928102, - "L2": 1.44674496696141, - "L3": 1.50992005603758, - "a7": 122.779911882973, - "L1": 1.32399400885212, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 114.739851854588, - "bs": 37.0, - "a2": 107.588193524974, - "a5": 120.222178578363, - "sidechain_LEU": null, - "chainIndex": 667, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.37954003894 - } -}, -{ - "pk": 2061, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.648444277986, - "psi": 76.4732471340399, - "oldID": "877", - "bg": 15.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9883237589847, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2063, - "sidechain_SER": null, - "bm": 12.0, - "xpr": false, - "prev": 2059, - "terminal_flag": false, - "phi": -141.835512456226, - "chainID": "A", - "sidechain_GLN": null, - "ome": -169.569314041723, - "chi2": -80.5442205710773, - "chi3": -6.90936066203363, - "chi1": -66.8845666902793, - "chi4": null, - "chi5": null, - "a1": 123.228862027389, - "L4": 1.52731077123648, - "L5": 1.24636261059335, - "L2": 1.48102041508163, - "L3": 1.54349373036612, - "a7": 122.461119401557, - "L1": 1.33004769968723, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 142, - "omep": null, - "ss": "S", - "a3": 108.121594167166, - "bs": 15.0, - "a2": 111.103034313736, - "a5": 121.8570353289, - "sidechain_LEU": null, - "chainIndex": 876, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.635048184811 - } -}, -{ - "pk": 2062, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.659328285655, - "psi": 10.7013016255372, - "oldID": "669", - "bg": 24.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0127450665446, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 109, - "sidechain_TRP": null, - "next": 2064, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2060, - "terminal_flag": false, - "phi": -111.877053643879, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.516372723593, - "chi2": null, - "chi3": null, - "chi1": 89.3990655838076, - "chi4": null, - "chi5": null, - "a1": 121.433586388371, - "L4": 1.52966571938935, - "L5": 1.23846935263148, - "L2": 1.46311567218732, - "L3": 1.56516605069347, - "a7": 122.692685134172, - "L1": 1.33215028793845, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.835129342335, - "bs": 30.0, - "a2": 111.921371101188, - "a5": 120.637131060114, - "sidechain_LEU": null, - "chainIndex": 668, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.232361364235 - } -}, -{ - "pk": 2063, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 121, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 119.398577707106, - "psi": -18.484349681257, - "oldID": "878", - "bg": 13.17, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.2485768206239, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2065, - "sidechain_SER": null, - "bm": 12.0, - "xpr": false, - "prev": 2061, - "terminal_flag": false, - "phi": -79.0913897152998, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.590102910868, - "chi2": -42.9640285989387, - "chi3": 33.6290616154193, - "chi1": 35.3900437100962, - "chi4": -11.4700900068595, - "chi5": null, - "a1": 121.261936151671, - "L4": 1.51721800171384, - "L5": 1.2083667361324, - "L2": 1.4580424527034, - "L3": 1.52858184190295, - "a7": 123.88382136481, - "L1": 1.32640098195081, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 6.14489080503369, - "ss": "-", - "a3": 115.749202459364, - "bs": 12.0, - "a2": 102.993405424047, - "a5": 116.678803122624, - "sidechain_LEU": null, - "chainIndex": 877, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.387763449047 - } -}, -{ - "pk": 2064, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.224571124407, - "psi": 123.011824131495, - "oldID": "670", - "bg": 36.23, - "sidechain_CYS": null, - "sidechain_ILE": 117, - "protein": "1TWF", - "zeta": 35.5726204359719, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2067, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 2062, - "terminal_flag": false, - "phi": -103.210324403189, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.382540830965, - "chi2": 178.989924586656, - "chi3": null, - "chi1": -52.9343856494189, - "chi4": null, - "chi5": null, - "a1": 121.259062477842, - "L4": 1.51928538170135, - "L5": 1.22914364581777, - "L2": 1.46328654551564, - "L3": 1.52150862216183, - "a7": 123.635296718707, - "L1": 1.33085143821507, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.078817850589, - "bs": 36.0, - "a2": 111.747035618316, - "a5": 120.132128128768, - "sidechain_LEU": null, - "chainIndex": 669, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.116220221407 - } -}, -{ - "pk": 2065, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.321250024892, - "psi": 150.353211612968, - "oldID": "879", - "bg": 14.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.0154180296685, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2066, - "sidechain_SER": null, - "bm": 12.0, - "xpr": false, - "prev": 2063, - "terminal_flag": false, - "phi": -144.667695478392, - "chainID": "A", - "sidechain_GLN": 78, - "ome": 170.134147899255, - "chi2": 177.226246918143, - "chi3": -63.035844919146, - "chi1": -56.5271269587035, - "chi4": null, - "chi5": null, - "a1": 119.008278428695, - "L4": 1.52882224000452, - "L5": 1.22625727454858, - "L2": 1.46089390053923, - "L3": 1.52936614546357, - "a7": 122.534549577547, - "L1": 1.32344259147477, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 117.050492471984, - "bs": 15.0, - "a2": 109.414502249523, - "a5": 122.142544538294, - "sidechain_LEU": null, - "chainIndex": 878, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.785044584614 - } -}, -{ - "pk": 2066, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.700578275587, - "psi": 137.519745814074, - "oldID": "880", - "bg": 18.39, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.4231208890303, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 51, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2068, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2065, - "terminal_flag": false, - "phi": -45.8763254130396, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.176626782672, - "chi2": -60.6872659433367, - "chi3": -112.85544631442, - "chi1": -107.006978133906, - "chi4": null, - "chi5": null, - "a1": 121.356010013535, - "L4": 1.51713459603223, - "L5": 1.21777745140257, - "L2": 1.46145840697701, - "L3": 1.52124421910822, - "a7": 122.60460943739, - "L1": 1.33011000670839, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.876591477691, - "bs": 17.0, - "a2": 110.325759489399, - "a5": 120.646432312828, - "sidechain_LEU": null, - "chainIndex": 879, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 104.298403086177 - } -}, -{ - "pk": 2067, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.435787921087, - "psi": 152.014841327995, - "oldID": "671", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6086559268656, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2069, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 2064, - "terminal_flag": false, - "phi": -95.589798105216, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.644093903562, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.056433884693, - "L4": 1.52946376400427, - "L5": 1.22864252976377, - "L2": 1.45812975164735, - "L3": 1.5127900917912, - "a7": 123.717081117728, - "L1": 1.33214039230108, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.703055578027, - "bs": 42.0, - "a2": 110.371998495315, - "a5": 120.845432085281, - "sidechain_LEU": null, - "chainIndex": 670, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.745112359333 - } -}, -{ - "pk": 2068, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.759104154852, - "psi": 167.074300509755, - "oldID": "881", - "bg": 12.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9152111202554, - "sidechain_PHE": 75, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2070, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2066, - "terminal_flag": false, - "phi": -132.514180700942, - "chainID": "A", - "sidechain_GLN": null, - "ome": 172.384642692964, - "chi2": 78.5272541501848, - "chi3": null, - "chi1": 63.5967848921316, - "chi4": null, - "chi5": null, - "a1": 120.749768791537, - "L4": 1.53320123716052, - "L5": 1.21780993662479, - "L2": 1.46207171769388, - "L3": 1.54677453593367, - "a7": 122.211793853623, - "L1": 1.3203187221797, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.776481348964, - "bs": 13.0, - "a2": 110.267877899909, - "a5": 120.0280837323, - "sidechain_LEU": null, - "chainIndex": 880, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.565716805171 - } -}, -{ - "pk": 2069, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 123, - "a6": 116.717475804587, - "psi": 141.667791330926, - "oldID": "672", - "bg": 65.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.1503215034788, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2071, - "sidechain_SER": null, - "bm": 55.0, - "xpr": false, - "prev": 2067, - "terminal_flag": false, - "phi": -45.1431787364684, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.347548744044, - "chi2": 83.7783993929254, - "chi3": null, - "chi1": -115.278526475267, - "chi4": null, - "chi5": null, - "a1": 124.706300145291, - "L4": 1.53895923529427, - "L5": 1.23443608714859, - "L2": 1.46525706319413, - "L3": 1.53764464903861, - "a7": 122.607137039549, - "L1": 1.33240313985827, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.671971926223, - "bs": 65.0, - "a2": 108.572333153811, - "a5": 120.674044932491, - "sidechain_LEU": null, - "chainIndex": 671, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.82568584494 - } -}, -{ - "pk": 2070, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.425725330327, - "psi": 115.477321870295, - "oldID": "882", - "bg": 16.99, - "sidechain_CYS": 37, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4534602028884, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2072, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2068, - "terminal_flag": false, - "phi": -134.476931223276, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.979457625006, - "chi2": null, - "chi3": null, - "chi1": 177.943304887556, - "chi4": null, - "chi5": null, - "a1": 120.397136056875, - "L4": 1.5120496703007, - "L5": 1.22450539687062, - "L2": 1.45471814651898, - "L3": 1.53456622259902, - "a7": 123.951018617489, - "L1": 1.33330397808855, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.318662165968, - "bs": 15.0, - "a2": 112.081739319643, - "a5": 120.554209559384, - "sidechain_LEU": null, - "chainIndex": 881, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.540248311752 - } -}, -{ - "pk": 2071, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.574208927698, - "psi": -40.940244209307, - "oldID": "673", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2074, - "sidechain_SER": null, - "bm": 55.0, - "xpr": false, - "prev": 2069, - "terminal_flag": false, - "phi": -53.8617429997153, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.689306409904, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.625162088067, - "L4": 1.51403308291152, - "L5": 1.23228278533898, - "L2": 1.45174799438899, - "L3": null, - "a7": 121.651340388835, - "L1": 1.33389619708237, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.661641132936, - "bs": 0.0, - "a2": null, - "a5": 120.774345163119, - "sidechain_LEU": null, - "chainIndex": 672, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2072, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.526249286397, - "psi": 131.058328188445, - "oldID": "883", - "bg": 16.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4774847810861, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2073, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2070, - "terminal_flag": false, - "phi": -85.6555339222373, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.902043533082, - "chi2": 178.834017128781, - "chi3": -19.6834462759785, - "chi1": -84.7151206617454, - "chi4": null, - "chi5": null, - "a1": 122.179984402731, - "L4": 1.51716652889089, - "L5": 1.23199073649129, - "L2": 1.45559688728182, - "L3": 1.5231531715396, - "a7": 122.591551354325, - "L1": 1.32469006238711, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 143, - "omep": null, - "ss": "E", - "a3": 108.059408503764, - "bs": 16.0, - "a2": 110.61984236638, - "a5": 120.881443819767, - "sidechain_LEU": null, - "chainIndex": 882, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.380160857132 - } -}, -{ - "pk": 2073, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.971638284237, - "psi": 157.67357304509, - "oldID": "884", - "bg": 15.41, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3756307486815, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 52, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2075, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2072, - "terminal_flag": false, - "phi": -149.833381054077, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.925779389352, - "chi2": -171.729818571215, - "chi3": 72.7010761715908, - "chi1": 59.2411240229321, - "chi4": null, - "chi5": null, - "a1": 120.273382142078, - "L4": 1.50411397036223, - "L5": 1.23107973768697, - "L2": 1.44626452766618, - "L3": 1.51924581179952, - "a7": 124.436598102327, - "L1": 1.3226264618173, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.481325030115, - "bs": 15.0, - "a2": 110.731212836714, - "a5": 120.590789790886, - "sidechain_LEU": null, - "chainIndex": 883, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.886214926498 - } -}, -{ - "pk": 2074, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 122, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.434788210971, - "psi": -35.7780907307911, - "oldID": "674", - "bg": 58.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.1728159602028, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2076, - "sidechain_SER": null, - "bm": 57.0, - "xpr": false, - "prev": 2071, - "terminal_flag": false, - "phi": -71.3992928480696, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.899042241139, - "chi2": -42.7070804334509, - "chi3": 36.4007470163484, - "chi1": 32.1657991706622, - "chi4": -16.4837812773039, - "chi5": null, - "a1": 119.408644365658, - "L4": 1.52802250068285, - "L5": 1.23456931990782, - "L2": 1.46187201453126, - "L3": 1.52872049511356, - "a7": 123.033749689587, - "L1": 1.33847201484966, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -4.24155436247825, - "ss": "H", - "a3": 110.511894106208, - "bs": 58.0, - "a2": 102.997876048611, - "a5": 120.530389260738, - "sidechain_LEU": null, - "chainIndex": 673, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.230019844057 - } -}, -{ - "pk": 2075, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.105941915432, - "psi": 160.830491502088, - "oldID": "885", - "bg": 15.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7365889288216, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2077, - "sidechain_SER": 101, - "bm": 15.0, - "xpr": false, - "prev": 2073, - "terminal_flag": false, - "phi": -73.0102825711931, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.38833640617, - "chi2": null, - "chi3": null, - "chi1": 73.040953700272, - "chi4": null, - "chi5": null, - "a1": 122.894516112985, - "L4": 1.51116051897894, - "L5": 1.23811636266288, - "L2": 1.43916333460192, - "L3": 1.54416191567611, - "a7": 122.764710402032, - "L1": 1.32973864515779, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.812671643371, - "bs": 15.0, - "a2": 109.567789483848, - "a5": 122.122424862592, - "sidechain_LEU": null, - "chainIndex": 884, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.235683893902 - } -}, -{ - "pk": 2076, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.608770362939, - "psi": -37.3428402713358, - "oldID": "675", - "bg": 54.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7869766174394, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 110, - "sidechain_TRP": null, - "next": 2079, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 2074, - "terminal_flag": false, - "phi": -63.3419370857108, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.766127364045, - "chi2": null, - "chi3": null, - "chi1": -59.9010466486701, - "chi4": null, - "chi5": null, - "a1": 121.243857671191, - "L4": 1.52844705816398, - "L5": 1.22697082828223, - "L2": 1.45834537732952, - "L3": 1.54985447716981, - "a7": 122.339469221508, - "L1": 1.33385743334214, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.312734855603, - "bs": 54.0, - "a2": 111.755572012575, - "a5": 121.049456017709, - "sidechain_LEU": null, - "chainIndex": 674, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.934188805139 - } -}, -{ - "pk": 2077, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.634098273988, - "psi": -38.2822402667309, - "oldID": "886", - "bg": 24.89, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0227413377431, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2078, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2075, - "terminal_flag": false, - "phi": -59.9777577079806, - "chainID": "A", - "sidechain_GLN": null, - "ome": -174.965043813987, - "chi2": 173.996010726069, - "chi3": -25.1173111255527, - "chi1": -72.746514838833, - "chi4": null, - "chi5": null, - "a1": 120.507721215081, - "L4": 1.51769293711384, - "L5": 1.20916854308165, - "L2": 1.45055322742458, - "L3": 1.52600982102301, - "a7": 122.606590065261, - "L1": 1.32075459079138, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 144, - "omep": null, - "ss": "H", - "a3": 108.373948470428, - "bs": 25.0, - "a2": 110.569345519014, - "a5": 120.757246113351, - "sidechain_LEU": null, - "chainIndex": 885, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.587230431097 - } -}, -{ - "pk": 2078, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.550001440486, - "psi": -51.7654654256777, - "oldID": "887", - "bg": 22.58, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4138684815051, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2081, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2077, - "terminal_flag": false, - "phi": -60.9328991775444, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.656648471022, - "chi2": 88.367033540533, - "chi3": -10.7903932445141, - "chi1": -72.9076270704091, - "chi4": null, - "chi5": null, - "a1": 121.413241228078, - "L4": 1.53854830036422, - "L5": 1.24276296372222, - "L2": 1.46394439957889, - "L3": 1.53396414085186, - "a7": 122.578417285296, - "L1": 1.32604149326891, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 145, - "omep": null, - "ss": "H", - "a3": 111.107890181317, - "bs": 22.0, - "a2": 109.45595883331, - "a5": 121.852987550956, - "sidechain_LEU": null, - "chainIndex": 886, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.116753081931 - } -}, -{ - "pk": 2079, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.277607570429, - "psi": -28.5118055102073, - "oldID": "676", - "bg": 58.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4859229531968, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 53, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2080, - "sidechain_SER": null, - "bm": 59.0, - "xpr": false, - "prev": 2076, - "terminal_flag": false, - "phi": -66.1097982765353, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.971471889764, - "chi2": -45.5944368106011, - "chi3": -63.9842311972792, - "chi1": -73.4065474524743, - "chi4": null, - "chi5": null, - "a1": 120.26369822924, - "L4": 1.51981603911821, - "L5": 1.22827925922007, - "L2": 1.4529242667381, - "L3": 1.53420325407928, - "a7": 122.835768646534, - "L1": 1.32664550070974, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.388857396182, - "bs": 60.0, - "a2": 111.204968873594, - "a5": 120.886334762124, - "sidechain_LEU": null, - "chainIndex": 675, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.926952459518 - } -}, -{ - "pk": 2080, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.171074197283, - "psi": -21.7076286679716, - "oldID": "677", - "bg": 70.11, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4688209068504, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2082, - "sidechain_SER": null, - "bm": 60.0, - "xpr": false, - "prev": 2079, - "terminal_flag": false, - "phi": -79.7439992749487, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.096901061576, - "chi2": 152.892948709551, - "chi3": -49.0842711012196, - "chi1": -145.610875068758, - "chi4": -166.030501774703, - "chi5": 0.438341019322903, - "a1": 121.160684521618, - "L4": 1.52680807930077, - "L5": 1.23215147249178, - "L2": 1.4555299406573, - "L3": 1.53130078555104, - "a7": 123.084303578646, - "L1": 1.32670595675876, - "sidechain_ARG": 100, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.241427854734, - "bs": 76.0, - "a2": 109.538681938026, - "a5": 121.73927581583, - "sidechain_LEU": null, - "chainIndex": 676, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.191548878948 - } -}, -{ - "pk": 2081, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.634840676911, - "psi": -44.5542620561042, - "oldID": "888", - "bg": 18.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3765811987225, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2083, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2078, - "terminal_flag": false, - "phi": -62.0566215202243, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.521003610051, - "chi2": 74.7657866677148, - "chi3": null, - "chi1": -167.988231356069, - "chi4": null, - "chi5": null, - "a1": 121.992494795834, - "L4": 1.52523084534768, - "L5": 1.23062297405006, - "L2": 1.44642649665026, - "L3": 1.52915725705249, - "a7": 122.852707276547, - "L1": 1.32581538736056, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.192512989053, - "bs": 18.0, - "a2": 110.097629517471, - "a5": 120.48182593466, - "sidechain_LEU": 166, - "chainIndex": 887, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.905341753585 - } -}, -{ - "pk": 2082, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.923830405348, - "psi": -34.8529853298628, - "oldID": "678", - "bg": 66.88, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.4912452354662, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2084, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 2080, - "terminal_flag": false, - "phi": -83.1974533840596, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.283296916231, - "chi2": 174.787007648347, - "chi3": 5.91113184184326, - "chi1": -161.687923942911, - "chi4": null, - "chi5": null, - "a1": 121.738001193006, - "L4": 1.53506715225789, - "L5": 1.23433942057174, - "L2": 1.44279024473811, - "L3": 1.52238140170759, - "a7": 123.011416537625, - "L1": 1.3215455266224, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 146, - "omep": null, - "ss": "H", - "a3": 107.017223890018, - "bs": 68.0, - "a2": 108.22599304136, - "a5": 121.058326616847, - "sidechain_LEU": null, - "chainIndex": 677, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.468704329939 - } -}, -{ - "pk": 2083, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.269941836904, - "psi": -44.8465486668579, - "oldID": "889", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8796647500133, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2086, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2081, - "terminal_flag": false, - "phi": -55.8126332480157, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.293090982523, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.038401919084, - "L4": 1.52045495975376, - "L5": 1.23080450202634, - "L2": 1.4533106944123, - "L3": 1.51802914481054, - "a7": 123.044298603448, - "L1": 1.32791068903055, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.863444769391, - "bs": 15.0, - "a2": 110.370509952922, - "a5": 120.684730761343, - "sidechain_LEU": null, - "chainIndex": 888, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.455766073109 - } -}, -{ - "pk": 2084, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.201556310608, - "psi": -50.5307060754688, - "oldID": "679", - "bg": 47.47, - "sidechain_CYS": null, - "sidechain_ILE": 118, - "protein": "1TWF", - "zeta": 34.151121730851, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2085, - "sidechain_SER": null, - "bm": 51.0, - "xpr": false, - "prev": 2082, - "terminal_flag": false, - "phi": -69.5403058963492, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.820131087285, - "chi2": 172.620722689789, - "chi3": null, - "chi1": -80.5045287634168, - "chi4": null, - "chi5": null, - "a1": 122.560550710571, - "L4": 1.53184469055083, - "L5": 1.23620857314745, - "L2": 1.46189715541236, - "L3": 1.56612270150292, - "a7": 123.038122392388, - "L1": 1.33215238058183, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.297298636328, - "bs": 46.0, - "a2": 111.368737298918, - "a5": 120.755425663952, - "sidechain_LEU": null, - "chainIndex": 678, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.501297327471 - } -}, -{ - "pk": 2085, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.182218977223, - "psi": -35.7321311991566, - "oldID": "680", - "bg": 52.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.469312302651, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 111, - "sidechain_TRP": null, - "next": 2087, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 2084, - "terminal_flag": false, - "phi": -58.8730484367188, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.268987939847, - "chi2": null, - "chi3": null, - "chi1": -56.6567957023819, - "chi4": null, - "chi5": null, - "a1": 121.748076811043, - "L4": 1.52794082485472, - "L5": 1.23397557749005, - "L2": 1.45869032754978, - "L3": 1.53653810908277, - "a7": 123.08451894846, - "L1": 1.33055933146061, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.33729342001, - "bs": 52.0, - "a2": 111.015361341552, - "a5": 120.728611699468, - "sidechain_LEU": null, - "chainIndex": 679, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.790039629929 - } -}, -{ - "pk": 2086, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.068398097578, - "psi": -48.5906834115117, - "oldID": "890", - "bg": 20.21, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9843545747583, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 112, - "sidechain_TRP": null, - "next": 2088, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2083, - "terminal_flag": false, - "phi": -63.5776067873388, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.388033577669, - "chi2": null, - "chi3": null, - "chi1": -68.2272335864806, - "chi4": null, - "chi5": null, - "a1": 120.769815411699, - "L4": 1.53059722891421, - "L5": 1.23145569544886, - "L2": 1.45392585548589, - "L3": 1.52176982544284, - "a7": 122.569957364991, - "L1": 1.33112461471494, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.537336090503, - "bs": 20.0, - "a2": 110.124187821975, - "a5": 121.351685512766, - "sidechain_LEU": null, - "chainIndex": 889, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.790615802761 - } -}, -{ - "pk": 2087, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.672619542427, - "psi": -36.8666017788976, - "oldID": "681", - "bg": 70.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5391817171672, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2089, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 2085, - "terminal_flag": false, - "phi": -73.3481896292583, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.151360692282, - "chi2": 176.525934108528, - "chi3": 14.2155774077515, - "chi1": -80.3284637248639, - "chi4": null, - "chi5": null, - "a1": 121.652665434818, - "L4": 1.5287311824565, - "L5": 1.23417455256756, - "L2": 1.45514061385783, - "L3": 1.53368948072084, - "a7": 122.646309501012, - "L1": 1.32900911885867, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 147, - "omep": null, - "ss": "H", - "a3": 109.376707140161, - "bs": 72.0, - "a2": 110.528684860184, - "a5": 120.679200916342, - "sidechain_LEU": null, - "chainIndex": 680, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.071553086452 - } -}, -{ - "pk": 2088, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.424337550058, - "psi": -39.104609011766, - "oldID": "891", - "bg": 20.56, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5975119471074, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2092, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2086, - "terminal_flag": false, - "phi": -53.8647045934817, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.928433569482, - "chi2": 81.7004247293117, - "chi3": null, - "chi1": 168.959975709926, - "chi4": null, - "chi5": null, - "a1": 121.151244918839, - "L4": 1.52780871061919, - "L5": 1.22287302802222, - "L2": 1.44915485813722, - "L3": 1.52283705430784, - "a7": 121.94882603706, - "L1": 1.32543391747549, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.985365506169, - "bs": 21.0, - "a2": 110.184286218279, - "a5": 120.617011716979, - "sidechain_LEU": 167, - "chainIndex": 890, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.054953259491 - } -}, -{ - "pk": 2089, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.559303839823, - "psi": -40.2818710957172, - "oldID": "682", - "bg": 53.89, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0290359636199, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 113, - "sidechain_TRP": null, - "next": 2090, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 2087, - "terminal_flag": false, - "phi": -60.0180465522535, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.446863744923, - "chi2": null, - "chi3": null, - "chi1": -83.6603025726852, - "chi4": null, - "chi5": null, - "a1": 120.995460230637, - "L4": 1.51984451344052, - "L5": 1.2316637658899, - "L2": 1.46138129030076, - "L3": 1.5424100260789, - "a7": 123.295227107749, - "L1": 1.33217227248301, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.397695637705, - "bs": 52.0, - "a2": 111.43259919714, - "a5": 121.144725795425, - "sidechain_LEU": null, - "chainIndex": 681, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.015991516031 - } -}, -{ - "pk": 2090, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.205621495998, - "psi": -41.9851204507686, - "oldID": "683", - "bg": 46.69, - "sidechain_CYS": null, - "sidechain_ILE": 119, - "protein": "1TWF", - "zeta": 34.6058430515133, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2091, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2089, - "terminal_flag": false, - "phi": -71.4706312751663, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.614205281752, - "chi2": 168.037057284392, - "chi3": null, - "chi1": -73.9441330890185, - "chi4": null, - "chi5": null, - "a1": 121.743269308612, - "L4": 1.5310774925592, - "L5": 1.23525540044504, - "L2": 1.45664122668491, - "L3": 1.53861587301793, - "a7": 122.943156374493, - "L1": 1.32438713502019, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.165721203572, - "bs": 47.0, - "a2": 110.756618324906, - "a5": 120.851029217408, - "sidechain_LEU": null, - "chainIndex": 682, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.24611707367 - } -}, -{ - "pk": 2091, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.780695896028, - "psi": -33.6499962488977, - "oldID": "684", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6865062386793, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2093, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2090, - "terminal_flag": false, - "phi": -62.429265809301, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.573099623772, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.444515698901, - "L4": 1.51962052521399, - "L5": 1.22947248659269, - "L2": 1.45288861963664, - "L3": 1.51782955181754, - "a7": 123.19256191643, - "L1": 1.32840360185057, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.032779667084, - "bs": 49.0, - "a2": 110.110870279774, - "a5": 121.026729476788, - "sidechain_LEU": null, - "chainIndex": 683, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.243325892646 - } -}, -{ - "pk": 2092, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.624095294773, - "psi": 4.92643151588209, - "oldID": "892", - "bg": 19.3, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2776300459947, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2094, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2088, - "terminal_flag": false, - "phi": -98.0880149412839, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.728183027009, - "chi2": -66.6510991549542, - "chi3": -73.0366483150741, - "chi1": -56.6475469491467, - "chi4": 144.729175519207, - "chi5": 0.760429084409192, - "a1": 119.70252323226, - "L4": 1.52302800832024, - "L5": 1.22694272599712, - "L2": 1.45153062035406, - "L3": 1.53194288915663, - "a7": 122.374266789462, - "L1": 1.32487195161862, - "sidechain_ARG": 101, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.890693334601, - "bs": 21.0, - "a2": 110.083790224178, - "a5": 119.999210338545, - "sidechain_LEU": null, - "chainIndex": 891, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.459259443355 - } -}, -{ - "pk": 2093, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.302000911546, - "psi": -38.627261176882, - "oldID": "685", - "bg": 63.98, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2078051093645, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2095, - "sidechain_SER": null, - "bm": 54.0, - "xpr": false, - "prev": 2091, - "terminal_flag": false, - "phi": -64.4596279616467, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.322637177182, - "chi2": -166.543484534251, - "chi3": 63.2617377855714, - "chi1": -173.382243092671, - "chi4": null, - "chi5": null, - "a1": 121.399385342022, - "L4": 1.52229353815769, - "L5": 1.22875899721869, - "L2": 1.44592370914955, - "L3": 1.52445632735865, - "a7": 123.272476843975, - "L1": 1.32661263124108, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 148, - "omep": null, - "ss": "H", - "a3": 109.811766885761, - "bs": 66.0, - "a2": 110.049069503903, - "a5": 120.425238243114, - "sidechain_LEU": null, - "chainIndex": 684, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.434055036896 - } -}, -{ - "pk": 2094, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.103518099225, - "psi": 34.9653754265584, - "oldID": "893", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2096, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2092, - "terminal_flag": false, - "phi": 64.7867070326637, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.440830999405, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.032289542075, - "L4": 1.51895686950916, - "L5": 1.24679121110235, - "L2": 1.45378988722954, - "L3": null, - "a7": 122.866202629832, - "L1": 1.32880360414726, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.717116820359, - "bs": 0.0, - "a2": null, - "a5": 122.019313538792, - "sidechain_LEU": null, - "chainIndex": 892, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2095, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.513966153556, - "psi": -36.1281009726515, - "oldID": "686", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3851546650583, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2098, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2093, - "terminal_flag": false, - "phi": -70.886773079285, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.387186569774, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.786044124476, - "L4": 1.5189091818762, - "L5": 1.2250443903004, - "L2": 1.46032537884662, - "L3": 1.51537907559908, - "a7": 122.563880070793, - "L1": 1.33145148778328, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.620366681506, - "bs": 50.0, - "a2": 110.450181825608, - "a5": 120.91515947783, - "sidechain_LEU": null, - "chainIndex": 685, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.806926298799 - } -}, -{ - "pk": 2096, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.145689147715, - "psi": 138.701457626591, - "oldID": "894", - "bg": 17.29, - "sidechain_CYS": null, - "sidechain_ILE": 120, - "protein": "1H0H", - "zeta": 35.575066737432, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2097, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2094, - "terminal_flag": false, - "phi": -100.708470172338, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.881123916273, - "chi2": 173.464893756393, - "chi3": null, - "chi1": -64.8862995298424, - "chi4": null, - "chi5": null, - "a1": 122.449008892599, - "L4": 1.53145603507192, - "L5": 1.22841018947704, - "L2": 1.44665645016402, - "L3": 1.55569237831541, - "a7": 123.034659285209, - "L1": 1.32381911331619, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.551236140098, - "bs": 17.0, - "a2": 108.828348832614, - "a5": 120.814920047767, - "sidechain_LEU": null, - "chainIndex": 893, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.257237996027 - } -}, -{ - "pk": 2097, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.942035955121, - "psi": 154.524615305185, - "oldID": "895", - "bg": 19.81, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9867874713058, - "sidechain_PHE": null, - "sidechain_LYS": 142, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2100, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2096, - "terminal_flag": false, - "phi": -112.367302472498, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.700413209838, - "chi2": -177.463049139592, - "chi3": -55.0457699635105, - "chi1": -71.1673682566881, - "chi4": -93.6666031186388, - "chi5": null, - "a1": 121.964847411097, - "L4": 1.52942473192656, - "L5": 1.23316670004544, - "L2": 1.4568874982874, - "L3": 1.53461298903281, - "a7": 122.824625978712, - "L1": 1.32808186305236, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.822203524437, - "bs": 20.0, - "a2": 110.989829975944, - "a5": 121.219560667594, - "sidechain_LEU": null, - "chainIndex": 894, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.717850594113 - } -}, -{ - "pk": 2098, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.454772923693, - "psi": -17.4923715428858, - "oldID": "687", - "bg": 55.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8855091853272, - "sidechain_PHE": null, - "sidechain_LYS": 143, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2099, - "sidechain_SER": null, - "bm": 49.0, - "xpr": false, - "prev": 2095, - "terminal_flag": false, - "phi": -69.6973790454966, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.585509352854, - "chi2": -173.740601006652, - "chi3": 177.218428907057, - "chi1": -74.0379187220187, - "chi4": -177.140511157039, - "chi5": null, - "a1": 119.736878909998, - "L4": 1.5249162761003, - "L5": 1.22091756952307, - "L2": 1.44264138777157, - "L3": 1.52316008002054, - "a7": 122.268099053179, - "L1": 1.32382309912998, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.405655684066, - "bs": 57.0, - "a2": 110.490622445582, - "a5": 120.276418816008, - "sidechain_LEU": null, - "chainIndex": 686, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.726631763024 - } -}, -{ - "pk": 2099, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.265362811201, - "psi": -41.5518348425424, - "oldID": "688", - "bg": 57.96, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6497200453374, - "sidechain_PHE": null, - "sidechain_LYS": 144, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2102, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2098, - "terminal_flag": false, - "phi": -79.9078064609553, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.425963492498, - "chi2": 172.244216202479, - "chi3": -174.129019995926, - "chi1": -65.0800065032686, - "chi4": 163.279932881766, - "chi5": null, - "a1": 120.059322994583, - "L4": 1.51624259562336, - "L5": 1.22989016634447, - "L2": 1.45687841819215, - "L3": 1.52226378204682, - "a7": 123.16644974594, - "L1": 1.33183120758114, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.690250034224, - "bs": 59.0, - "a2": 111.647106330813, - "a5": 120.566604835827, - "sidechain_LEU": null, - "chainIndex": 687, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.15597782286 - } -}, -{ - "pk": 2100, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 89, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.97790680628, - "psi": 127.674415646051, - "oldID": "896", - "bg": 18.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.1155533411364, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2101, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2097, - "terminal_flag": false, - "phi": -51.6869650419935, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.719045253475, - "chi2": 38.8497925291168, - "chi3": null, - "chi1": -155.543563491589, - "chi4": null, - "chi5": null, - "a1": 120.804536095802, - "L4": 1.52029880637313, - "L5": 1.2343556266294, - "L2": 1.45626902438981, - "L3": 1.53317895584804, - "a7": 121.877727497348, - "L1": 1.32636809920763, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.868319819853, - "bs": 17.0, - "a2": 111.517155460266, - "a5": 121.99863389828, - "sidechain_LEU": null, - "chainIndex": 895, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.185055298168 - } -}, -{ - "pk": 2101, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.60628740075, - "psi": -3.61537362058163, - "oldID": "897", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2103, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2100, - "terminal_flag": false, - "phi": 84.9993853373255, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.116814447009, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.709716526617, - "L4": 1.51922366366142, - "L5": 1.24524132893487, - "L2": 1.44117115151917, - "L3": null, - "a7": 122.639160387316, - "L1": 1.31971360708747, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.387098800769, - "bs": 0.0, - "a2": null, - "a5": 119.730690023072, - "sidechain_LEU": null, - "chainIndex": 896, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2102, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.020654931066, - "psi": -42.3796294342017, - "oldID": "689", - "bg": 52.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2437158802368, - "sidechain_PHE": null, - "sidechain_LYS": 145, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2104, - "sidechain_SER": null, - "bm": 47.0, - "xpr": false, - "prev": 2099, - "terminal_flag": false, - "phi": -60.8479173619243, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.614434856125, - "chi2": -170.828085187982, - "chi3": -175.932083378456, - "chi1": -68.1080434707046, - "chi4": 161.814279938576, - "chi5": null, - "a1": 121.249594306409, - "L4": 1.51470564898596, - "L5": 1.23367247558465, - "L2": 1.45619984400391, - "L3": 1.52436655766455, - "a7": 123.343326873588, - "L1": 1.33063745504185, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.299869216516, - "bs": 53.0, - "a2": 111.147394307825, - "a5": 120.624132646899, - "sidechain_LEU": null, - "chainIndex": 688, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.820101458304 - } -}, -{ - "pk": 2103, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 124, - "a6": 117.457804825734, - "psi": 146.919967618268, - "oldID": "898", - "bg": 18.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.9301097140421, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2105, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2101, - "terminal_flag": false, - "phi": -62.3841405177622, - "chainID": "A", - "sidechain_GLN": null, - "ome": 171.475829058342, - "chi2": -8.24785459594312, - "chi3": null, - "chi1": -85.2063554054451, - "chi4": null, - "chi5": null, - "a1": 120.946075832066, - "L4": 1.51338365278126, - "L5": 1.22711783596143, - "L2": 1.4676556372805, - "L3": 1.5181627132582, - "a7": 122.255877009102, - "L1": 1.3327877626821, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.997130944527, - "bs": 18.0, - "a2": 111.04496776477, - "a5": 120.163795934963, - "sidechain_LEU": null, - "chainIndex": 897, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 103.671892798827 - } -}, -{ - "pk": 2104, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.624380601971, - "psi": -38.4716735310667, - "oldID": "690", - "bg": 43.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8602561855686, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 141, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2106, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 2102, - "terminal_flag": false, - "phi": -65.8180345076535, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.483019138667, - "chi2": null, - "chi3": null, - "chi1": 171.48176051184, - "chi4": null, - "chi5": null, - "a1": 121.684775991269, - "L4": 1.51197243551888, - "L5": 1.2266405478357, - "L2": 1.45845369396229, - "L3": 1.55443324012662, - "a7": 123.477575808874, - "L1": 1.32974667938916, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.948052039342, - "bs": 43.0, - "a2": 111.823297094871, - "a5": 120.896167040873, - "sidechain_LEU": null, - "chainIndex": 689, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.736376719551 - } -}, -{ - "pk": 2105, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.812582904002, - "psi": 133.752694982049, - "oldID": "899", - "bg": 20.88, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4606992651789, - "sidechain_PHE": null, - "sidechain_LYS": 146, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2108, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2103, - "terminal_flag": false, - "phi": -75.2015236831926, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.47693610812, - "chi2": -160.910053085301, - "chi3": -174.349007664139, - "chi1": -175.725312526658, - "chi4": 171.474509354363, - "chi5": null, - "a1": 117.480818547462, - "L4": 1.53707798466038, - "L5": 1.24372430914844, - "L2": 1.44995363998592, - "L3": 1.5213749013893, - "a7": 123.011789317925, - "L1": 1.33028271821542, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.487760354654, - "bs": 23.0, - "a2": 111.091619080423, - "a5": 120.111887634246, - "sidechain_LEU": null, - "chainIndex": 898, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.244023278585 - } -}, -{ - "pk": 2106, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.372952607124, - "psi": -33.7369037571765, - "oldID": "691", - "bg": 47.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.6582129775184, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2107, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 2104, - "terminal_flag": false, - "phi": -63.7991280529513, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.952963013186, - "chi2": 54.0288877807729, - "chi3": null, - "chi1": -176.837662658857, - "chi4": null, - "chi5": null, - "a1": 120.632923854961, - "L4": 1.5308178922974, - "L5": 1.23306255402532, - "L2": 1.44586295864909, - "L3": 1.52680671354514, - "a7": 122.759702992002, - "L1": 1.32665833641496, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.377868146568, - "bs": 45.0, - "a2": 110.117195928834, - "a5": 119.852434650268, - "sidechain_LEU": 168, - "chainIndex": 690, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.098077874951 - } -}, -{ - "pk": 2107, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 125, - "a6": 116.270208051247, - "psi": -34.0159525904198, - "oldID": "692", - "bg": 54.58, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0533150751677, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2110, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 2106, - "terminal_flag": false, - "phi": -75.1303887663412, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.200000920463, - "chi2": -37.9542352335415, - "chi3": null, - "chi1": -62.0437508743913, - "chi4": null, - "chi5": null, - "a1": 121.285335032912, - "L4": 1.52286275489477, - "L5": 1.23139326856302, - "L2": 1.46456224349768, - "L3": 1.5323055232904, - "a7": 122.754193453034, - "L1": 1.3353303562849, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.376366240679, - "bs": 54.0, - "a2": 111.063320029211, - "a5": 120.96978202857, - "sidechain_LEU": null, - "chainIndex": 691, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.25054501945 - } -}, -{ - "pk": 2108, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.28663281301, - "psi": 156.156450339384, - "oldID": "900", - "bg": 13.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9648073408314, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 142, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2109, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2105, - "terminal_flag": false, - "phi": -126.052705580788, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.213731914369, - "chi2": null, - "chi3": null, - "chi1": -65.0435417488715, - "chi4": null, - "chi5": null, - "a1": 121.729907570795, - "L4": 1.52912134100972, - "L5": 1.22542336551238, - "L2": 1.46407425489997, - "L3": 1.52706035443422, - "a7": 123.386387321051, - "L1": 1.33199435333171, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.071548848245, - "bs": 13.0, - "a2": 112.795368321859, - "a5": 120.252335511729, - "sidechain_LEU": null, - "chainIndex": 899, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.241672105371 - } -}, -{ - "pk": 2109, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.019220074153, - "psi": 129.065005862293, - "oldID": "901", - "bg": 17.76, - "sidechain_CYS": null, - "sidechain_ILE": 121, - "protein": "1H0H", - "zeta": 36.2406666214594, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2112, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2108, - "terminal_flag": false, - "phi": -110.838921512386, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.798660599567, - "chi2": -59.8785683596419, - "chi3": null, - "chi1": -51.5868229675746, - "chi4": null, - "chi5": null, - "a1": 120.791595417524, - "L4": 1.50909395099957, - "L5": 1.23334270765243, - "L2": 1.46207296641311, - "L3": 1.52601739249649, - "a7": 123.901257387082, - "L1": 1.33504059113288, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.854858314748, - "bs": 17.0, - "a2": 111.358406531724, - "a5": 120.078788599167, - "sidechain_LEU": null, - "chainIndex": 900, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.996155136884 - } -}, -{ - "pk": 2110, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.357125745429, - "psi": -34.4132756856093, - "oldID": "693", - "bg": 49.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5942654208938, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 143, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2111, - "sidechain_SER": null, - "bm": 46.0, - "xpr": false, - "prev": 2107, - "terminal_flag": false, - "phi": -71.2289179462151, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.853907921865, - "chi2": null, - "chi3": null, - "chi1": -175.310351046716, - "chi4": null, - "chi5": null, - "a1": 120.698513284014, - "L4": 1.52850326033049, - "L5": 1.23431001114812, - "L2": 1.45013471472873, - "L3": 1.53013010171919, - "a7": 123.081221394461, - "L1": 1.32585613524597, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.543759297288, - "bs": 48.0, - "a2": 110.803129901688, - "a5": 120.551430062573, - "sidechain_LEU": null, - "chainIndex": 692, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.940012682959 - } -}, -{ - "pk": 2111, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.598880669573, - "psi": -46.1228427057137, - "oldID": "694", - "bg": 37.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5941839887928, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 114, - "sidechain_TRP": null, - "next": 2113, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 2110, - "terminal_flag": false, - "phi": -65.8555595594809, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.365862806883, - "chi2": null, - "chi3": null, - "chi1": -67.9334352543873, - "chi4": null, - "chi5": null, - "a1": 121.661000397757, - "L4": 1.52792250675031, - "L5": 1.22604194473041, - "L2": 1.45497295158353, - "L3": 1.55561284209559, - "a7": 122.816723790587, - "L1": 1.33121988917184, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.316371946258, - "bs": 37.0, - "a2": 111.943593478456, - "a5": 120.584363909519, - "sidechain_LEU": null, - "chainIndex": 693, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.837810787394 - } -}, -{ - "pk": 2112, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.972104804676, - "psi": 137.775206331237, - "oldID": "902", - "bg": 17.35, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.027847961311, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2114, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2109, - "terminal_flag": false, - "phi": -105.289597500201, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.366285506668, - "chi2": 93.7505019629516, - "chi3": null, - "chi1": -84.6534029242185, - "chi4": null, - "chi5": null, - "a1": 121.875735709487, - "L4": 1.51754299734135, - "L5": 1.22473614115436, - "L2": 1.45080965973167, - "L3": 1.51279111052779, - "a7": 122.727635783676, - "L1": 1.31849407940941, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.783325509685, - "bs": 17.0, - "a2": 110.163301213249, - "a5": 120.297849771752, - "sidechain_LEU": 169, - "chainIndex": 901, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.464652982722 - } -}, -{ - "pk": 2113, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.227630248268, - "psi": -42.9041983265262, - "oldID": "695", - "bg": 53.03, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8284360336981, - "sidechain_PHE": null, - "sidechain_LYS": 147, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2115, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 2111, - "terminal_flag": false, - "phi": -62.3092843748244, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.5797252061, - "chi2": 178.656699447776, - "chi3": -175.797450199329, - "chi1": -74.4747349812223, - "chi4": 176.271117175084, - "chi5": null, - "a1": 120.959292066784, - "L4": 1.51719964534462, - "L5": 1.23755651053312, - "L2": 1.45242794610268, - "L3": 1.520311476676, - "a7": 123.594777797974, - "L1": 1.32888697007552, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.499711276827, - "bs": 57.0, - "a2": 110.215528541647, - "a5": 121.161383713843, - "sidechain_LEU": null, - "chainIndex": 694, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.121549029584 - } -}, -{ - "pk": 2114, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.654822730272, - "psi": 141.058359660446, - "oldID": "903", - "bg": 24.04, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3528886246347, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2117, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2112, - "terminal_flag": false, - "phi": -141.795378307144, - "chainID": "A", - "sidechain_GLN": null, - "ome": 173.645068554613, - "chi2": 173.181713340551, - "chi3": -23.5969308904817, - "chi1": -167.015028750327, - "chi4": null, - "chi5": null, - "a1": 119.878003895811, - "L4": 1.51565099777421, - "L5": 1.23195542657426, - "L2": 1.45148341494885, - "L3": 1.54019339391621, - "a7": 123.334099957755, - "L1": 1.31948874412926, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 149, - "omep": null, - "ss": "E", - "a3": 109.085977236554, - "bs": 25.0, - "a2": 110.852510945141, - "a5": 120.961091265869, - "sidechain_LEU": null, - "chainIndex": 902, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.287609345044 - } -}, -{ - "pk": 2115, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.284167606411, - "psi": -46.3862946694279, - "oldID": "696", - "bg": 56.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8312581031953, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2116, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 2113, - "terminal_flag": false, - "phi": -60.1562904678271, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.948218144075, - "chi2": -177.81009590293, - "chi3": -47.8411956553529, - "chi1": -158.87818807825, - "chi4": null, - "chi5": null, - "a1": 121.493595364828, - "L4": 1.52997139543087, - "L5": 1.22645848932882, - "L2": 1.44187998943976, - "L3": 1.52923992728241, - "a7": 122.193846595336, - "L1": 1.32579610596968, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 150, - "omep": null, - "ss": "H", - "a3": 108.931431654999, - "bs": 59.0, - "a2": 109.776432493442, - "a5": 120.508209457033, - "sidechain_LEU": null, - "chainIndex": 695, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.556081775977 - } -}, -{ - "pk": 2116, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.776883859163, - "psi": -38.6934256656397, - "oldID": "697", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0458573834322, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2118, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 2115, - "terminal_flag": false, - "phi": -67.1084813138512, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.851681789451, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.747310117198, - "L4": 1.52843778326067, - "L5": 1.23180979003002, - "L2": 1.45864262420392, - "L3": 1.53364326500419, - "a7": 122.895440673557, - "L1": 1.32839286543345, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.781587109261, - "bs": 49.0, - "a2": 110.132139034684, - "a5": 120.327674332272, - "sidechain_LEU": null, - "chainIndex": 696, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.090612090327 - } -}, -{ - "pk": 2117, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.103592775503, - "psi": -177.1524888517, - "oldID": "904", - "bg": 16.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.5725047544326, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2119, - "sidechain_SER": 102, - "bm": 14.0, - "xpr": false, - "prev": 2114, - "terminal_flag": false, - "phi": -132.45091113076, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.98212344077, - "chi2": null, - "chi3": null, - "chi1": 68.9380320484247, - "chi4": null, - "chi5": null, - "a1": 121.958232136477, - "L4": 1.50847933583222, - "L5": 1.22174761596007, - "L2": 1.44892817432046, - "L3": 1.52610641598747, - "a7": 121.873618811499, - "L1": 1.32124558093004, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 104.528644410137, - "bs": 15.0, - "a2": 110.556409351329, - "a5": 120.935176084933, - "sidechain_LEU": null, - "chainIndex": 903, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.084974397341 - } -}, -{ - "pk": 2118, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.628079180761, - "psi": -18.6196119889989, - "oldID": "698", - "bg": 50.24, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3039909144928, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2120, - "sidechain_SER": null, - "bm": 51.0, - "xpr": false, - "prev": 2116, - "terminal_flag": false, - "phi": -70.912395009898, - "chainID": "A", - "sidechain_GLN": 79, - "ome": 179.446902882972, - "chi2": 178.578768727179, - "chi3": -39.9808732099697, - "chi1": -55.7849994161762, - "chi4": null, - "chi5": null, - "a1": 121.283335931632, - "L4": 1.52915277056698, - "L5": 1.23481036657162, - "L2": 1.46038128192531, - "L3": 1.52781215885314, - "a7": 122.584256267905, - "L1": 1.33163132261734, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.437186535514, - "bs": 50.0, - "a2": 110.786134069739, - "a5": 120.787626707474, - "sidechain_LEU": null, - "chainIndex": 697, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.421597064874 - } -}, -{ - "pk": 2119, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.510607289943, - "psi": -23.9568140172154, - "oldID": "905", - "bg": 23.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.748019239452, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 144, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2121, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2117, - "terminal_flag": false, - "phi": -64.8525218852504, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.755970053336, - "chi2": null, - "chi3": null, - "chi1": -69.258073965314, - "chi4": null, - "chi5": null, - "a1": 118.825390451199, - "L4": 1.54173243833881, - "L5": 1.21486263831633, - "L2": 1.4512781557662, - "L3": 1.52612882005927, - "a7": 122.346481488705, - "L1": 1.32177060857114, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.040995925893, - "bs": 22.0, - "a2": 110.749713300375, - "a5": 121.098649173981, - "sidechain_LEU": null, - "chainIndex": 904, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.341925950857 - } -}, -{ - "pk": 2120, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.210104607204, - "psi": -16.6294233779064, - "oldID": "699", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5935714821227, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2123, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 2118, - "terminal_flag": false, - "phi": -93.0895915338751, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.770932772118, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.390707849235, - "L4": 1.52084031443066, - "L5": 1.23405851959733, - "L2": 1.45165977315152, - "L3": 1.52233116917989, - "a7": 123.730467867253, - "L1": 1.32837561428054, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.921360590789, - "bs": 53.0, - "a2": 110.253114363213, - "a5": 121.059160512726, - "sidechain_LEU": null, - "chainIndex": 698, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.328665283966 - } -}, -{ - "pk": 2121, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.936607372283, - "psi": -23.6303044879048, - "oldID": "906", - "bg": 23.55, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.2693296117909, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2122, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2119, - "terminal_flag": false, - "phi": -83.8986477452083, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.628319101608, - "chi2": 91.2077872492373, - "chi3": 34.1580833421516, - "chi1": -91.211498202981, - "chi4": -164.28771191303, - "chi5": -0.768947889583802, - "a1": 122.214112232117, - "L4": 1.5261170716398, - "L5": 1.22192286812215, - "L2": 1.47194153239486, - "L3": 1.52233176394385, - "a7": 121.488780744909, - "L1": 1.31516718435734, - "sidechain_ARG": 102, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.107027848953, - "bs": 26.0, - "a2": 110.21923189722, - "a5": 120.495015227866, - "sidechain_LEU": null, - "chainIndex": 905, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.790338096869 - } -}, -{ - "pk": 2122, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.535675733598, - "psi": -164.741663347761, - "oldID": "907", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2124, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2121, - "terminal_flag": false, - "phi": 168.094758110573, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.908400134546, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 118.891434841754, - "L4": 1.50792944609084, - "L5": 1.2368539892695, - "L2": 1.4472739676822, - "L3": null, - "a7": 123.193459556404, - "L1": 1.3185043557326, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.555550810117, - "bs": 0.0, - "a2": null, - "a5": 120.270022270284, - "sidechain_LEU": null, - "chainIndex": 906, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2123, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 90, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.088494911207, - "psi": 35.9416820599018, - "oldID": "700", - "bg": 54.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9468117985596, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2125, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 2120, - "terminal_flag": false, - "phi": 75.8756313263844, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.565457149395, - "chi2": 14.22387583244, - "chi3": null, - "chi1": -168.66913634798, - "chi4": null, - "chi5": null, - "a1": 122.835437027479, - "L4": 1.52841401089059, - "L5": 1.22667846357041, - "L2": 1.4578661615534, - "L3": 1.53229455520956, - "a7": 123.0462136487, - "L1": 1.32805571110744, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.825530453598, - "bs": 54.0, - "a2": 110.27690128943, - "a5": 120.865254037555, - "sidechain_LEU": null, - "chainIndex": 699, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.709626735523 - } -}, -{ - "pk": 2124, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.715882971358, - "psi": 154.229727606091, - "oldID": "908", - "bg": 19.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0030290559083, - "sidechain_PHE": null, - "sidechain_LYS": 148, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2126, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2122, - "terminal_flag": false, - "phi": -154.991239964894, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.398685229739, - "chi2": -155.373781617284, - "chi3": -44.4800088476073, - "chi1": 71.8331004070668, - "chi4": -159.992639199224, - "chi5": null, - "a1": 119.831723496275, - "L4": 1.50484035133466, - "L5": 1.21413065347982, - "L2": 1.46951637391874, - "L3": 1.52933709812056, - "a7": 123.025499822885, - "L1": 1.32490267949815, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.53356745093, - "bs": 21.0, - "a2": 110.238757013831, - "a5": 120.200079863385, - "sidechain_LEU": null, - "chainIndex": 907, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.095379014798 - } -}, -{ - "pk": 2125, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.749703999591, - "psi": -21.0613300061904, - "oldID": "701", - "bg": 62.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3111143867294, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2128, - "sidechain_SER": null, - "bm": 62.0, - "xpr": false, - "prev": 2123, - "terminal_flag": false, - "phi": -99.0337721129161, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.269040814924, - "chi2": 176.176614886796, - "chi3": null, - "chi1": -83.091328662014, - "chi4": null, - "chi5": null, - "a1": 122.391160144636, - "L4": 1.51760622907772, - "L5": 1.23221415306602, - "L2": 1.46089336347339, - "L3": 1.52834996855089, - "a7": 123.69584634329, - "L1": 1.33062606087218, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.054906217709, - "bs": 61.0, - "a2": 110.486870112798, - "a5": 121.55415916074, - "sidechain_LEU": 170, - "chainIndex": 700, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.745062401008 - } -}, -{ - "pk": 2126, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.678999751178, - "psi": 164.479732364152, - "oldID": "909", - "bg": 16.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5053032818456, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2127, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2124, - "terminal_flag": false, - "phi": -152.922184765238, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.27534245416, - "chi2": 72.4555582139198, - "chi3": null, - "chi1": 55.5869128986171, - "chi4": null, - "chi5": null, - "a1": 121.246871506596, - "L4": 1.52540574782567, - "L5": 1.23052730303464, - "L2": 1.46241201614664, - "L3": 1.54298739155245, - "a7": 122.933623690884, - "L1": 1.32562456607414, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.61248967968, - "bs": 16.0, - "a2": 111.494097871763, - "a5": 120.381989104281, - "sidechain_LEU": 171, - "chainIndex": 908, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.938477648337 - } -}, -{ - "pk": 2127, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.629925981212, - "psi": 156.35400581193, - "oldID": "910", - "bg": 17.45, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1875795953714, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 40, - "next": 2129, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2126, - "terminal_flag": false, - "phi": -103.702138459021, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.098060799733, - "chi2": -97.4036434930396, - "chi3": null, - "chi1": 65.472791652826, - "chi4": null, - "chi5": null, - "a1": 120.104346445682, - "L4": 1.51398743357921, - "L5": 1.23707658184976, - "L2": 1.46129373439242, - "L3": 1.53570550202495, - "a7": 124.062154514286, - "L1": 1.33268445333486, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.624500923981, - "bs": 18.0, - "a2": 112.699810093023, - "a5": 121.303205036794, - "sidechain_LEU": null, - "chainIndex": 909, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.490906913509 - } -}, -{ - "pk": 2128, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.879371572233, - "psi": 133.584291956089, - "oldID": "702", - "bg": 72.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.4614706620746, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2130, - "sidechain_SER": null, - "bm": 68.0, - "xpr": false, - "prev": 2125, - "terminal_flag": false, - "phi": -75.7909557360225, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.269000890696, - "chi2": 65.9482434780111, - "chi3": null, - "chi1": 152.593450008739, - "chi4": null, - "chi5": null, - "a1": 123.485731246985, - "L4": 1.52742478378058, - "L5": 1.22642108336341, - "L2": 1.44894984761639, - "L3": 1.52215874051884, - "a7": 122.640008035974, - "L1": 1.32346879780568, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.796146694372, - "bs": 72.0, - "a2": 106.768369427823, - "a5": 120.473654579149, - "sidechain_LEU": 172, - "chainIndex": 701, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.996837795118 - } -}, -{ - "pk": 2129, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.46994346929, - "psi": 163.058471509008, - "oldID": "911", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3126688810657, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2131, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2127, - "terminal_flag": false, - "phi": -152.226450683752, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.595413977038, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.910349133758, - "L4": 1.52600525511484, - "L5": 1.22651731787572, - "L2": 1.45588800681896, - "L3": 1.54837759301596, - "a7": 123.372999153803, - "L1": 1.32262317211683, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.953575775879, - "bs": 14.0, - "a2": 110.911932418625, - "a5": 121.092798117579, - "sidechain_LEU": null, - "chainIndex": 910, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.334997186298 - } -}, -{ - "pk": 2130, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.234410240628, - "psi": 135.407741265402, - "oldID": "703", - "bg": 71.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6093518721032, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 115, - "sidechain_TRP": null, - "next": 2133, - "sidechain_SER": null, - "bm": 71.0, - "xpr": false, - "prev": 2128, - "terminal_flag": false, - "phi": -112.355059977626, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.346504970635, - "chi2": null, - "chi3": null, - "chi1": -58.2224573891103, - "chi4": null, - "chi5": null, - "a1": 121.463163736999, - "L4": 1.52836874774273, - "L5": 1.23019025757585, - "L2": 1.46381399018319, - "L3": 1.54992734729608, - "a7": 122.631036527911, - "L1": 1.33166860900385, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.337045590596, - "bs": 71.0, - "a2": 111.141794077512, - "a5": 121.132020879773, - "sidechain_LEU": null, - "chainIndex": 702, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.584063975829 - } -}, -{ - "pk": 2131, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.660473679087, - "psi": 126.950318240777, - "oldID": "912", - "bg": 14.81, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6456099254734, - "sidechain_PHE": null, - "sidechain_LYS": 149, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2132, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2129, - "terminal_flag": false, - "phi": -96.7508129696804, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.249804340087, - "chi2": -67.6761474563837, - "chi3": -100.320319551907, - "chi1": -62.1014224559269, - "chi4": -85.6364836150072, - "chi5": null, - "a1": 122.894600640126, - "L4": 1.54030622620384, - "L5": 1.22946075602397, - "L2": 1.44857845677924, - "L3": 1.54135023123392, - "a7": 122.084365491098, - "L1": 1.32550668766305, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.038440410937, - "bs": 16.0, - "a2": 110.510298066298, - "a5": 121.253348742412, - "sidechain_LEU": null, - "chainIndex": 911, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.66033981952 - } -}, -{ - "pk": 2132, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.68885347421, - "psi": 129.740153466217, - "oldID": "913", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1106410700306, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2134, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2131, - "terminal_flag": false, - "phi": -71.5061902432861, - "chainID": "A", - "sidechain_GLN": null, - "ome": 171.286644910185, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.424147570722, - "L4": 1.52885520056889, - "L5": 1.24496911822681, - "L2": 1.45547794285834, - "L3": 1.51327854857496, - "a7": 124.051494679341, - "L1": 1.3294045534457, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 114.638137982645, - "bs": 13.0, - "a2": 110.737521629423, - "a5": 121.231460059917, - "sidechain_LEU": null, - "chainIndex": 912, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.87213216371 - } -}, -{ - "pk": 2133, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.648227380331, - "psi": 146.602508409501, - "oldID": "704", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4862819864681, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2135, - "sidechain_SER": null, - "bm": 76.0, - "xpr": false, - "prev": 2130, - "terminal_flag": false, - "phi": -82.0156348281003, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.254269912528, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.73535041436, - "L4": 1.52403301870379, - "L5": 1.22913512329304, - "L2": 1.45671452150065, - "L3": 1.52276398437931, - "a7": 122.784603451217, - "L1": 1.32663690231524, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.818336633169, - "bs": 76.0, - "a2": 109.75156866891, - "a5": 120.566868454308, - "sidechain_LEU": null, - "chainIndex": 703, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.087064261736 - } -}, -{ - "pk": 2134, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.00000680079, - "psi": 96.8613845290946, - "oldID": "914", - "bg": 15.45, - "sidechain_CYS": null, - "sidechain_ILE": 122, - "protein": "1H0H", - "zeta": 33.31609837891, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2136, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2132, - "terminal_flag": false, - "phi": -113.553862594367, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.055664143088, - "chi2": -176.456507397148, - "chi3": null, - "chi1": -65.1276195856913, - "chi4": null, - "chi5": null, - "a1": 122.66208465653, - "L4": 1.53359711314988, - "L5": 1.23907546740826, - "L2": 1.44291715001373, - "L3": 1.51896198836512, - "a7": 121.977489140432, - "L1": 1.3249855217203, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.81805950573, - "bs": 15.0, - "a2": 110.914394092125, - "a5": 122.006136047018, - "sidechain_LEU": null, - "chainIndex": 913, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.154680371359 - } -}, -{ - "pk": 2135, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.732633273749, - "psi": 162.499190410937, - "oldID": "705", - "bg": 84.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6054831308914, - "sidechain_PHE": null, - "sidechain_LYS": 150, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2137, - "sidechain_SER": null, - "bm": 78.0, - "xpr": false, - "prev": 2133, - "terminal_flag": false, - "phi": -71.0953114585696, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.971273431761, - "chi2": 81.9879603172648, - "chi3": -170.38200228968, - "chi1": -61.7848796049168, - "chi4": -175.502995839097, - "chi5": null, - "a1": 120.731523915164, - "L4": 1.52873431532526, - "L5": 1.23519821122201, - "L2": 1.4583875569967, - "L3": 1.53689703319503, - "a7": 122.833240803893, - "L1": 1.3309968942727, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.451983529167, - "bs": 85.0, - "a2": 110.999869081561, - "a5": 120.43408667123, - "sidechain_LEU": null, - "chainIndex": 704, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.775971218842 - } -}, -{ - "pk": 2136, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.012195491096, - "psi": 124.664864901529, - "oldID": "915", - "bg": 14.95, - "sidechain_CYS": null, - "sidechain_ILE": 123, - "protein": "1H0H", - "zeta": 33.9688490041099, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2138, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2134, - "terminal_flag": false, - "phi": -79.2133869929202, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.883568422564, - "chi2": 174.289290684104, - "chi3": null, - "chi1": -60.2536490453605, - "chi4": null, - "chi5": null, - "a1": 119.943776921953, - "L4": 1.51975289940858, - "L5": 1.23387090053428, - "L2": 1.44748676011772, - "L3": 1.51337329128947, - "a7": 122.667142273934, - "L1": 1.32063281770116, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.268153840097, - "bs": 15.0, - "a2": 110.863409333317, - "a5": 121.28351458646, - "sidechain_LEU": null, - "chainIndex": 914, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.757929183232 - } -}, -{ - "pk": 2137, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.058706984853, - "psi": 144.747710588206, - "oldID": "706", - "bg": 69.8, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8699873964636, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2139, - "sidechain_SER": null, - "bm": 74.0, - "xpr": false, - "prev": 2135, - "terminal_flag": false, - "phi": -50.0578389401033, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.431898192408, - "chi2": null, - "chi3": null, - "chi1": -174.188670644687, - "chi4": null, - "chi5": null, - "a1": 121.380760517118, - "L4": 1.51943899260206, - "L5": 1.23110225066594, - "L2": 1.45911901895613, - "L3": 1.53164344392315, - "a7": 123.189987594238, - "L1": 1.33119304295898, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.357692615896, - "bs": 69.0, - "a2": 111.304836449009, - "a5": 120.751113183432, - "sidechain_LEU": null, - "chainIndex": 705, - "sidechain_HIS": 63, - "h_bond_energy": 0.0, - "a4": 108.513329709732 - } -}, -{ - "pk": 2138, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.627524660921, - "psi": 145.319382116796, - "oldID": "916", - "bg": 14.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.645521893376, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 116, - "sidechain_TRP": null, - "next": 2141, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2136, - "terminal_flag": false, - "phi": -140.442141209466, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.760828000942, - "chi2": null, - "chi3": null, - "chi1": 175.267242750827, - "chi4": null, - "chi5": null, - "a1": 119.998030934582, - "L4": 1.5147451909215, - "L5": 1.24101311032392, - "L2": 1.44390794390027, - "L3": 1.53609449173463, - "a7": 123.391231904236, - "L1": 1.31840571816412, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.250651505414, - "bs": 14.0, - "a2": 108.024047755798, - "a5": 120.980461970121, - "sidechain_LEU": null, - "chainIndex": 915, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.075139685955 - } -}, -{ - "pk": 2139, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.855357254921, - "psi": 51.2468052561421, - "oldID": "707", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2140, - "sidechain_SER": null, - "bm": 72.0, - "xpr": false, - "prev": 2137, - "terminal_flag": false, - "phi": 47.8513290967548, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.471472534154, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.802294913986, - "L4": 1.51010727810864, - "L5": 1.22876091849411, - "L2": 1.45069817721896, - "L3": null, - "a7": 123.132084117161, - "L1": 1.32729958066414, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.413956535265, - "bs": 0.0, - "a2": null, - "a5": 121.011170977407, - "sidechain_LEU": null, - "chainIndex": 706, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2140, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.415247291323, - "psi": 139.248426459581, - "oldID": "708", - "bg": 77.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6642133589883, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 54, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2142, - "sidechain_SER": null, - "bm": 70.0, - "xpr": false, - "prev": 2139, - "terminal_flag": false, - "phi": -159.624863290695, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.231587109089, - "chi2": 171.318375640515, - "chi3": -77.703201358371, - "chi1": -129.617201672104, - "chi4": null, - "chi5": null, - "a1": 121.403190300809, - "L4": 1.51427296692259, - "L5": 1.22818029084131, - "L2": 1.45116825845058, - "L3": 1.51922823823626, - "a7": 123.368252822894, - "L1": 1.32511870077486, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.614264298732, - "bs": 79.0, - "a2": 110.167279381271, - "a5": 121.216432995621, - "sidechain_LEU": null, - "chainIndex": 707, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.11751705573 - } -}, -{ - "pk": 2141, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.643687167587, - "psi": -3.35492312188951, - "oldID": "917", - "bg": 20.7, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5935479598551, - "sidechain_PHE": null, - "sidechain_LYS": 151, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2143, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2138, - "terminal_flag": false, - "phi": -81.5092354046258, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.334777641797, - "chi2": 178.944054000573, - "chi3": -179.176949789968, - "chi1": -56.6061794720343, - "chi4": -84.4052232243772, - "chi5": null, - "a1": 121.833338028502, - "L4": 1.53335493076709, - "L5": 1.23255553174989, - "L2": 1.44862448546467, - "L3": 1.53697537762095, - "a7": 122.869062000524, - "L1": 1.33253068176313, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 109.403057769348, - "bs": 21.0, - "a2": 110.805090853736, - "a5": 120.486385941723, - "sidechain_LEU": null, - "chainIndex": 916, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.760461218146 - } -}, -{ - "pk": 2142, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.113542919059, - "psi": 157.63058982478, - "oldID": "709", - "bg": 67.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.734508463009, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 117, - "sidechain_TRP": null, - "next": 2144, - "sidechain_SER": null, - "bm": 65.0, - "xpr": false, - "prev": 2140, - "terminal_flag": false, - "phi": -73.4793969255879, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.465506783021, - "chi2": null, - "chi3": null, - "chi1": -53.2145978670668, - "chi4": null, - "chi5": null, - "a1": 122.064948101989, - "L4": 1.50948952973897, - "L5": 1.23424564355083, - "L2": 1.44837601010783, - "L3": 1.52331210730407, - "a7": 123.328749575286, - "L1": 1.32374407562787, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.784077733245, - "bs": 66.0, - "a2": 111.133132763572, - "a5": 121.553789459791, - "sidechain_LEU": null, - "chainIndex": 708, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.062216972119 - } -}, -{ - "pk": 2143, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.875095549708, - "psi": -8.01599960745151, - "oldID": "918", - "bg": 15.79, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9599391515561, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2146, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2141, - "terminal_flag": false, - "phi": -77.2819365920475, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.0300474015, - "chi2": 177.212158245031, - "chi3": -60.7341647838073, - "chi1": -71.2456219940926, - "chi4": 100.663347915555, - "chi5": 1.35530757026514, - "a1": 122.033281554192, - "L4": 1.52890377852103, - "L5": 1.23448297774247, - "L2": 1.46077953774384, - "L3": 1.52561493076147, - "a7": 123.729743136295, - "L1": 1.33159990194035, - "sidechain_ARG": 103, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.963220822612, - "bs": 15.0, - "a2": 110.552729896268, - "a5": 120.381880542089, - "sidechain_LEU": null, - "chainIndex": 917, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.969883378702 - } -}, -{ - "pk": 2144, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.605627958865, - "psi": -46.1347620812356, - "oldID": "710", - "bg": 60.49, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.4693273024363, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2145, - "sidechain_SER": null, - "bm": 57.0, - "xpr": false, - "prev": 2142, - "terminal_flag": false, - "phi": -61.7923343969187, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.835773880416, - "chi2": 41.6857106433633, - "chi3": null, - "chi1": -130.370055727397, - "chi4": null, - "chi5": null, - "a1": 120.595336365138, - "L4": 1.52842967526458, - "L5": 1.23014713545249, - "L2": 1.439560135238, - "L3": 1.5200248340437, - "a7": 122.913868934364, - "L1": 1.32277342285926, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 106.706129159786, - "bs": 60.0, - "a2": 109.43994697638, - "a5": 121.466893723096, - "sidechain_LEU": 173, - "chainIndex": 709, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.394681303106 - } -}, -{ - "pk": 2145, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.670022023664, - "psi": -30.8201274401583, - "oldID": "711", - "bg": 49.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1240269384217, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2147, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2144, - "terminal_flag": false, - "phi": -67.0116123526583, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.130688286033, - "chi2": 170.797912464872, - "chi3": 176.301762061137, - "chi1": -72.4036522171036, - "chi4": -74.8673132298282, - "chi5": -0.27450344737859, - "a1": 121.715816070938, - "L4": 1.51367163600939, - "L5": 1.22653120671147, - "L2": 1.45087406627496, - "L3": 1.52311705989312, - "a7": 122.63488470403, - "L1": 1.32574785955035, - "sidechain_ARG": 104, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.373766155558, - "bs": 48.0, - "a2": 109.701105883315, - "a5": 120.694060345349, - "sidechain_LEU": null, - "chainIndex": 710, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.561257020818 - } -}, -{ - "pk": 2146, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.122424523391, - "psi": 134.165545203294, - "oldID": "919", - "bg": 16.95, - "sidechain_CYS": null, - "sidechain_ILE": 124, - "protein": "1H0H", - "zeta": 34.8846182001709, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2148, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2143, - "terminal_flag": false, - "phi": -126.654786264485, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.726741102958, - "chi2": -177.096622687945, - "chi3": null, - "chi1": -60.927129474348, - "chi4": null, - "chi5": null, - "a1": 122.850946935882, - "L4": 1.51076020053735, - "L5": 1.22532916929022, - "L2": 1.46929067110368, - "L3": 1.57951947546384, - "a7": 122.55186824029, - "L1": 1.32579745350082, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.380879651653, - "bs": 16.0, - "a2": 111.416055173703, - "a5": 120.324849683409, - "sidechain_LEU": null, - "chainIndex": 918, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.525563774946 - } -}, -{ - "pk": 2147, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.565738936874, - "psi": -43.3363759446826, - "oldID": "712", - "bg": 58.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9468622055847, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2149, - "sidechain_SER": null, - "bm": 47.0, - "xpr": false, - "prev": 2145, - "terminal_flag": false, - "phi": -68.717329765408, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.263083700002, - "chi2": -175.672531909396, - "chi3": -62.4046517789744, - "chi1": -63.8649096601676, - "chi4": null, - "chi5": null, - "a1": 119.518893942925, - "L4": 1.52877879391657, - "L5": 1.22707011402315, - "L2": 1.450177820102, - "L3": 1.5360120853354, - "a7": 122.304423576264, - "L1": 1.32539688060601, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 151, - "omep": null, - "ss": "H", - "a3": 109.972119862639, - "bs": 59.0, - "a2": 110.853179148507, - "a5": 120.123602533372, - "sidechain_LEU": null, - "chainIndex": 711, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.4893630068 - } -}, -{ - "pk": 2148, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.524208968103, - "psi": 154.696128185868, - "oldID": "920", - "bg": 23.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4176983830973, - "sidechain_PHE": null, - "sidechain_LYS": 152, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2151, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2146, - "terminal_flag": false, - "phi": -133.05738928718, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.691512258495, - "chi2": 170.750897232544, - "chi3": -173.51718813078, - "chi1": -65.4713443202593, - "chi4": -40.1515160000775, - "chi5": null, - "a1": 121.087755461625, - "L4": 1.51792111280193, - "L5": 1.22608891958991, - "L2": 1.44858007698136, - "L3": 1.52709562875069, - "a7": 122.635403776782, - "L1": 1.33156726831072, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 106.716812822108, - "bs": 24.0, - "a2": 110.873884806899, - "a5": 119.84011217485, - "sidechain_LEU": null, - "chainIndex": 919, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.683840810602 - } -}, -{ - "pk": 2149, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.56355754217, - "psi": -40.7051989442482, - "oldID": "713", - "bg": 50.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1291897077353, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2150, - "sidechain_SER": 103, - "bm": 43.0, - "xpr": false, - "prev": 2147, - "terminal_flag": false, - "phi": -63.3177874099616, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.462998750161, - "chi2": null, - "chi3": null, - "chi1": -59.8164044637004, - "chi4": null, - "chi5": null, - "a1": 120.448918734337, - "L4": 1.52217304456326, - "L5": 1.24383270186832, - "L2": 1.461966315494, - "L3": 1.52562128938357, - "a7": 124.280884681908, - "L1": 1.33021918014523, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.11549147838, - "bs": 48.0, - "a2": 109.962001220318, - "a5": 121.146210336741, - "sidechain_LEU": null, - "chainIndex": 712, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.91596967882 - } -}, -{ - "pk": 2150, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.388888275079, - "psi": -57.0732942357728, - "oldID": "714", - "bg": 39.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.8341809050156, - "sidechain_PHE": 76, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2152, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 2149, - "terminal_flag": false, - "phi": -56.7882254174254, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.887330990265, - "chi2": 73.0101632786085, - "chi3": null, - "chi1": 171.344941729535, - "chi4": null, - "chi5": null, - "a1": 123.536934242796, - "L4": 1.52976878343423, - "L5": 1.22214525414466, - "L2": 1.45301453584175, - "L3": 1.53883668239851, - "a7": 123.089363960278, - "L1": 1.32875947543229, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.874362791981, - "bs": 38.0, - "a2": 110.42931077509, - "a5": 120.514680912455, - "sidechain_LEU": null, - "chainIndex": 713, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.187799123936 - } -}, -{ - "pk": 2151, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 123, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.916410101516, - "psi": 156.869897222459, - "oldID": "921", - "bg": 18.79, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.2801565510869, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2153, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2148, - "terminal_flag": false, - "phi": -66.632721460414, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.184758552749, - "chi2": 25.0083099094125, - "chi3": -26.4002739320153, - "chi1": -13.0272577445014, - "chi4": 18.8371126530876, - "chi5": null, - "a1": 120.37291706738, - "L4": 1.51384643779752, - "L5": 1.22099506137859, - "L2": 1.46452106358854, - "L3": 1.53582158489065, - "a7": 122.730568273361, - "L1": 1.32346461266173, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 3.71695943539935, - "ss": "-", - "a3": 107.998232933993, - "bs": 19.0, - "a2": 103.514546132783, - "a5": 119.35284389193, - "sidechain_LEU": null, - "chainIndex": 920, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.618119305773 - } -}, -{ - "pk": 2152, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.649425950759, - "psi": -43.3001534428076, - "oldID": "715", - "bg": 37.46, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3873767914632, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2154, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 2150, - "terminal_flag": false, - "phi": -58.5777407572396, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.51500424686, - "chi2": -58.0661873771774, - "chi3": -30.227110789352, - "chi1": -73.3596630344522, - "chi4": null, - "chi5": null, - "a1": 121.926518437279, - "L4": 1.5097779837807, - "L5": 1.23019495940338, - "L2": 1.45416153966779, - "L3": 1.53286711807808, - "a7": 123.557157546528, - "L1": 1.33184174527533, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 152, - "omep": null, - "ss": "H", - "a3": 110.777746854159, - "bs": 36.0, - "a2": 110.37425961253, - "a5": 121.790203884245, - "sidechain_LEU": null, - "chainIndex": 714, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.135518822357 - } -}, -{ - "pk": 2153, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.477636457962, - "psi": 139.621324842037, - "oldID": "922", - "bg": 21.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9560895720232, - "sidechain_PHE": 77, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2155, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2151, - "terminal_flag": false, - "phi": -101.435039324777, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.51503675759, - "chi2": 86.1625117232718, - "chi3": null, - "chi1": -61.5895239610277, - "chi4": null, - "chi5": null, - "a1": 119.78625332651, - "L4": 1.52590106002044, - "L5": 1.23056698619541, - "L2": 1.45565563551039, - "L3": 1.53386201127485, - "a7": 122.11221972056, - "L1": 1.32281093298885, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.622142018152, - "bs": 21.0, - "a2": 110.568720821494, - "a5": 120.337864529479, - "sidechain_LEU": null, - "chainIndex": 921, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.252440263514 - } -}, -{ - "pk": 2154, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 126, - "a6": 116.67104067719, - "psi": -40.3995427764637, - "oldID": "716", - "bg": 50.91, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.8084190429492, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2156, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 2152, - "terminal_flag": false, - "phi": -56.3112479097317, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.684146439587, - "chi2": 23.8254017254575, - "chi3": null, - "chi1": -168.384271265633, - "chi4": null, - "chi5": null, - "a1": 121.910043603365, - "L4": 1.52749319565694, - "L5": 1.22759956327988, - "L2": 1.439152922865, - "L3": 1.5152406243553, - "a7": 122.014246234941, - "L1": 1.31886013161859, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.73352651284, - "bs": 50.0, - "a2": 109.271259657882, - "a5": 121.309229184006, - "sidechain_LEU": null, - "chainIndex": 715, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.993693053724 - } -}, -{ - "pk": 2155, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.977216940086, - "psi": 118.46022355632, - "oldID": "923", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7804300022681, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2157, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2153, - "terminal_flag": false, - "phi": -108.645517648039, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.629276368531, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.007885654254, - "L4": 1.51613824637793, - "L5": 1.22742922062929, - "L2": 1.45897651179395, - "L3": 1.51308314743575, - "a7": 123.532609226945, - "L1": 1.32560727562012, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.139591765514, - "bs": 25.0, - "a2": 111.57741979698, - "a5": 120.486655339498, - "sidechain_LEU": null, - "chainIndex": 922, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.463783749951 - } -}, -{ - "pk": 2156, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 91, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.049625249228, - "psi": -40.6452391766331, - "oldID": "717", - "bg": 46.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.908977204238, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2158, - "sidechain_SER": null, - "bm": 40.0, - "xpr": false, - "prev": 2154, - "terminal_flag": false, - "phi": -74.1967839773658, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.109013329244, - "chi2": -35.0513023187334, - "chi3": null, - "chi1": -64.4621313490085, - "chi4": null, - "chi5": null, - "a1": 119.199366612463, - "L4": 1.52494847645558, - "L5": 1.22883489280401, - "L2": 1.44834058762751, - "L3": 1.52395423007038, - "a7": 122.670826697298, - "L1": 1.32365328118889, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.922169829592, - "bs": 46.0, - "a2": 109.984342800513, - "a5": 120.273134662347, - "sidechain_LEU": null, - "chainIndex": 716, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.011640382379 - } -}, -{ - "pk": 2157, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.472293914807, - "psi": 107.219620569472, - "oldID": "924", - "bg": 25.89, - "sidechain_CYS": null, - "sidechain_ILE": 125, - "protein": "1H0H", - "zeta": 36.5924039894152, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2159, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2155, - "terminal_flag": false, - "phi": -138.586026081465, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.88569892425, - "chi2": -105.89891885089, - "chi3": null, - "chi1": -30.2102069550278, - "chi4": null, - "chi5": null, - "a1": 121.981114013403, - "L4": 1.5171994409804, - "L5": 1.22480569745638, - "L2": 1.45416325248036, - "L3": 1.54194214094098, - "a7": 122.295315811706, - "L1": 1.3303751431864, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.652875212398, - "bs": 25.0, - "a2": 109.879208481746, - "a5": 120.230277283608, - "sidechain_LEU": null, - "chainIndex": 923, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.297137271868 - } -}, -{ - "pk": 2158, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.773124813784, - "psi": -41.7159189908815, - "oldID": "718", - "bg": 34.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1584817124001, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 145, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2160, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 2156, - "terminal_flag": false, - "phi": -65.4190132388078, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.570275892551, - "chi2": null, - "chi3": null, - "chi1": 171.491866254182, - "chi4": null, - "chi5": null, - "a1": 120.397736233348, - "L4": 1.51746998167486, - "L5": 1.22570124325136, - "L2": 1.45193277767841, - "L3": 1.53330890143431, - "a7": 122.623855452057, - "L1": 1.32739280677024, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.068686524636, - "bs": 35.0, - "a2": 110.524063195433, - "a5": 120.597327025486, - "sidechain_LEU": null, - "chainIndex": 717, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.19324045902 - } -}, -{ - "pk": 2159, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.273996992356, - "psi": 44.2020396160609, - "oldID": "925", - "bg": 30.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4686514546787, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2161, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2157, - "terminal_flag": false, - "phi": 66.0303674246769, - "chainID": "A", - "sidechain_GLN": 80, - "ome": 175.488320095132, - "chi2": 179.608444869322, - "chi3": 0.857651933532048, - "chi1": -48.0521665325035, - "chi4": null, - "chi5": null, - "a1": 120.640272133142, - "L4": 1.52463734441562, - "L5": 1.23364845079931, - "L2": 1.45965408140266, - "L3": 1.53615466191585, - "a7": 122.298363687684, - "L1": 1.32570410764119, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.695543691794, - "bs": 30.0, - "a2": 110.293903660645, - "a5": 121.427459747458, - "sidechain_LEU": null, - "chainIndex": 924, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.426522595227 - } -}, -{ - "pk": 2160, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.735748906135, - "psi": -36.3275026590231, - "oldID": "719", - "bg": 23.97, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.2086902683962, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 146, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2162, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2158, - "terminal_flag": false, - "phi": -65.9482397739047, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.65283037625, - "chi2": null, - "chi3": null, - "chi1": 169.823795768809, - "chi4": null, - "chi5": null, - "a1": 118.710732329194, - "L4": 1.53440642218497, - "L5": 1.22617821219636, - "L2": 1.44193085795633, - "L3": 1.54953748606827, - "a7": 122.203919567347, - "L1": 1.32520297275085, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.303883427707, - "bs": 25.0, - "a2": 111.461280889554, - "a5": 120.0546252786, - "sidechain_LEU": null, - "chainIndex": 718, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.645822390215 - } -}, -{ - "pk": 2161, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.581386724786, - "psi": 1.36553961632512, - "oldID": "926", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2163, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2159, - "terminal_flag": false, - "phi": 83.463488815192, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.46220727125, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.556038606529, - "L4": 1.50474864761329, - "L5": 1.2282424621799, - "L2": 1.44360184288993, - "L3": null, - "a7": 123.765798057202, - "L1": 1.323980056002, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.617308537628, - "bs": 0.0, - "a2": null, - "a5": 120.609899173762, - "sidechain_LEU": null, - "chainIndex": 925, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2162, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.112739063568, - "psi": -39.6863460626548, - "oldID": "720", - "bg": 53.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9910304601735, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2164, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 2160, - "terminal_flag": false, - "phi": -67.5532994210405, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.223747081202, - "chi2": -168.444715969292, - "chi3": 74.7786602506323, - "chi1": 178.219342049986, - "chi4": -110.244551382561, - "chi5": -0.0456745683380888, - "a1": 121.19212072097, - "L4": 1.52513994287286, - "L5": 1.23504558876739, - "L2": 1.46496287483385, - "L3": 1.52718181698055, - "a7": 123.777598680448, - "L1": 1.32932614411922, - "sidechain_ARG": 105, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.089225113462, - "bs": 60.0, - "a2": 110.974766702498, - "a5": 121.103531062411, - "sidechain_LEU": null, - "chainIndex": 719, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.336489286963 - } -}, -{ - "pk": 2163, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.163998408821, - "psi": 133.86551856929, - "oldID": "927", - "bg": 29.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.9515953999702, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2165, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2161, - "terminal_flag": false, - "phi": -115.221196888757, - "chainID": "A", - "sidechain_GLN": 81, - "ome": 175.38906602952, - "chi2": 173.862866939594, - "chi3": -45.7294314160231, - "chi1": -131.762681455565, - "chi4": null, - "chi5": null, - "a1": 122.067865380474, - "L4": 1.5245922167834, - "L5": 1.23224457483106, - "L2": 1.45348756266418, - "L3": 1.5157328503138, - "a7": 123.769566520158, - "L1": 1.32740923462179, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 114.44846704877, - "bs": 29.0, - "a2": 107.904625720164, - "a5": 121.05681227409, - "sidechain_LEU": null, - "chainIndex": 926, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.730899847875 - } -}, -{ - "pk": 2164, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.656741654632, - "psi": -46.2211525817777, - "oldID": "721", - "bg": 50.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3265836518352, - "sidechain_PHE": 78, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2166, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 2162, - "terminal_flag": false, - "phi": -62.2265248897156, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.558128960666, - "chi2": -23.2167199323552, - "chi3": null, - "chi1": -80.7086006350346, - "chi4": null, - "chi5": null, - "a1": 122.914096873015, - "L4": 1.52408269545708, - "L5": 1.23329161498556, - "L2": 1.44582620326302, - "L3": 1.54527196096771, - "a7": 122.71257020357, - "L1": 1.32908725056928, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.216089514451, - "bs": 52.0, - "a2": 110.160146847754, - "a5": 121.612779401873, - "sidechain_LEU": null, - "chainIndex": 720, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.830234996514 - } -}, -{ - "pk": 2165, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.058227188491, - "psi": 101.842733939681, - "oldID": "928", - "bg": 25.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.3619875464788, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2168, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2163, - "terminal_flag": false, - "phi": -93.09426419994, - "chainID": "A", - "sidechain_GLN": 82, - "ome": -178.848506277751, - "chi2": -79.8223024005258, - "chi3": 105.581462275662, - "chi1": -82.1800413675097, - "chi4": null, - "chi5": null, - "a1": 123.542463360102, - "L4": 1.52004772033091, - "L5": 1.22291121273657, - "L2": 1.46087895089696, - "L3": 1.52907500033575, - "a7": 122.551576629368, - "L1": 1.32882492425745, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.168440897045, - "bs": 25.0, - "a2": 109.676833743386, - "a5": 120.381942238034, - "sidechain_LEU": null, - "chainIndex": 927, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.213492331732 - } -}, -{ - "pk": 2166, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.321392261307, - "psi": -36.0963048287719, - "oldID": "722", - "bg": 32.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4156974478445, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2167, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 2164, - "terminal_flag": false, - "phi": -70.5402201207506, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.710227500105, - "chi2": 163.111049812647, - "chi3": null, - "chi1": -67.4004075148699, - "chi4": null, - "chi5": null, - "a1": 121.467691314222, - "L4": 1.50912643327882, - "L5": 1.22720877605394, - "L2": 1.44767375870645, - "L3": 1.5178114606364, - "a7": 122.42191599481, - "L1": 1.32268814775483, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.863851323031, - "bs": 32.0, - "a2": 109.341708816623, - "a5": 120.24608487531, - "sidechain_LEU": 174, - "chainIndex": 721, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.346051150665 - } -}, -{ - "pk": 2167, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 92, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.383704783198, - "psi": -35.7987471278095, - "oldID": "723", - "bg": 48.29, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0697598431026, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2169, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 2166, - "terminal_flag": false, - "phi": -76.5685554029117, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.95229136795, - "chi2": -25.5494271964947, - "chi3": null, - "chi1": -81.9727068554291, - "chi4": null, - "chi5": null, - "a1": 118.858639567068, - "L4": 1.49688705620293, - "L5": 1.23532540088448, - "L2": 1.44129420228953, - "L3": 1.51330137500773, - "a7": 124.089931426225, - "L1": 1.32142479321795, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.749850848809, - "bs": 48.0, - "a2": 110.314189091486, - "a5": 121.519184935154, - "sidechain_LEU": null, - "chainIndex": 722, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.493729345599 - } -}, -{ - "pk": 2168, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.676650768694, - "psi": 120.873639055406, - "oldID": "929", - "bg": 23.91, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9551836074379, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 147, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2170, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2165, - "terminal_flag": false, - "phi": -92.0395899469439, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.835845527229, - "chi2": null, - "chi3": null, - "chi1": 176.502527465766, - "chi4": null, - "chi5": null, - "a1": 121.518421485522, - "L4": 1.52669158098952, - "L5": 1.22686077580625, - "L2": 1.44917060211247, - "L3": 1.51029019088837, - "a7": 122.961701552977, - "L1": 1.32580755807989, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.346807396129, - "bs": 23.0, - "a2": 110.37048952855, - "a5": 120.359758301392, - "sidechain_LEU": null, - "chainIndex": 928, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.101165407826 - } -}, -{ - "pk": 2169, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.233579842204, - "psi": -41.2949242627041, - "oldID": "724", - "bg": 62.94, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.0805009051579, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2171, - "sidechain_SER": null, - "bm": 47.0, - "xpr": false, - "prev": 2167, - "terminal_flag": false, - "phi": -59.1300614394549, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.544453446, - "chi2": -169.719417241322, - "chi3": 23.585617515124, - "chi1": 172.432680764215, - "chi4": null, - "chi5": null, - "a1": 121.427239556674, - "L4": 1.5167044448982, - "L5": 1.22379917165708, - "L2": 1.44224707958294, - "L3": 1.5313779222136, - "a7": 123.103250470212, - "L1": 1.32334343914998, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 153, - "omep": null, - "ss": "H", - "a3": 105.981860762178, - "bs": 64.0, - "a2": 110.124437174471, - "a5": 120.657647256584, - "sidechain_LEU": null, - "chainIndex": 723, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.112750553897 - } -}, -{ - "pk": 2170, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.163385726302, - "psi": 128.710449063184, - "oldID": "930", - "bg": 20.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0447079823434, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2172, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2168, - "terminal_flag": false, - "phi": -98.1982513129593, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.173012381574, - "chi2": null, - "chi3": null, - "chi1": -56.57450056059, - "chi4": null, - "chi5": null, - "a1": 120.859138077378, - "L4": 1.51451252199988, - "L5": 1.22327323008692, - "L2": 1.47260044798066, - "L3": 1.52040943623468, - "a7": 123.32912505943, - "L1": 1.32656839660855, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.856196634597, - "bs": 20.0, - "a2": 109.697991916242, - "a5": 120.454756431852, - "sidechain_LEU": null, - "chainIndex": 929, - "sidechain_HIS": 64, - "h_bond_energy": 0.0, - "a4": 108.361240340493 - } -}, -{ - "pk": 2171, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.129354330715, - "psi": -46.669208568652, - "oldID": "725", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1063047219725, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2173, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 2169, - "terminal_flag": false, - "phi": -65.9314461101877, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.911387099826, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.360304329123, - "L4": 1.50856473766062, - "L5": 1.23246359703149, - "L2": 1.45668391151501, - "L3": 1.51293165085496, - "a7": 122.844859089887, - "L1": 1.32923627970955, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.410771929789, - "bs": 43.0, - "a2": 110.248533633432, - "a5": 121.020206859047, - "sidechain_LEU": null, - "chainIndex": 724, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.899678441584 - } -}, -{ - "pk": 2172, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.755827044937, - "psi": 133.124087721078, - "oldID": "931", - "bg": 24.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5070836569986, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 55, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2174, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2170, - "terminal_flag": false, - "phi": -118.559114267167, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.571254337313, - "chi2": -150.262179821309, - "chi3": 74.349502762148, - "chi1": -176.169852568135, - "chi4": null, - "chi5": null, - "a1": 122.696212289682, - "L4": 1.52371019475242, - "L5": 1.22840371000354, - "L2": 1.44658717292386, - "L3": 1.53056119387451, - "a7": 122.317081656757, - "L1": 1.32908206658589, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.563731508579, - "bs": 27.0, - "a2": 110.358192127453, - "a5": 120.887552963577, - "sidechain_LEU": null, - "chainIndex": 930, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.576950006468 - } -}, -{ - "pk": 2173, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.094574146798, - "psi": -51.2023671839905, - "oldID": "726", - "bg": 49.41, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0804634994538, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2176, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 2171, - "terminal_flag": false, - "phi": -58.9856497606892, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.542546805892, - "chi2": -158.125199225994, - "chi3": 46.5469430726575, - "chi1": 171.201711177174, - "chi4": -174.31441212373, - "chi5": -0.211915975062209, - "a1": 119.107442742401, - "L4": 1.51737175190142, - "L5": 1.22950837519711, - "L2": 1.43759992613326, - "L3": 1.5134325680934, - "a7": 123.287426430222, - "L1": 1.3221920750488, - "sidechain_ARG": 106, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.721166032622, - "bs": 54.0, - "a2": 110.438136226516, - "a5": 120.606331971369, - "sidechain_LEU": null, - "chainIndex": 725, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.469795772639 - } -}, -{ - "pk": 2174, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.678697624627, - "psi": 169.359136911677, - "oldID": "932", - "bg": 13.43, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9424043475146, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 148, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2175, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2172, - "terminal_flag": false, - "phi": -117.826086109412, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.84135038699, - "chi2": null, - "chi3": null, - "chi1": -62.0096843555024, - "chi4": null, - "chi5": null, - "a1": 120.544262606574, - "L4": 1.52049968276958, - "L5": 1.24754699938657, - "L2": 1.44834530752838, - "L3": 1.53795007291155, - "a7": 122.717803683221, - "L1": 1.32732825738335, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.23040335715, - "bs": 13.0, - "a2": 112.819163408409, - "a5": 120.603255390647, - "sidechain_LEU": null, - "chainIndex": 931, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.702919096199 - } -}, -{ - "pk": 2175, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.62163826507, - "psi": 145.010489655286, - "oldID": "933", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2177, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2174, - "terminal_flag": false, - "phi": -138.113437832234, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.367802151306, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.806133193182, - "L4": 1.51491177820386, - "L5": 1.22766680777974, - "L2": 1.45050312724918, - "L3": null, - "a7": 122.520484032122, - "L1": 1.32987867033108, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.308756409899, - "bs": 0.0, - "a2": null, - "a5": 120.786128005077, - "sidechain_LEU": null, - "chainIndex": 932, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2176, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 127, - "a6": 116.794346565016, - "psi": -47.9889283736607, - "oldID": "727", - "bg": 49.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.830738318806, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2178, - "sidechain_SER": null, - "bm": 46.0, - "xpr": false, - "prev": 2173, - "terminal_flag": false, - "phi": -54.4887915152741, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.302945741345, - "chi2": -12.2999294127908, - "chi3": null, - "chi1": -64.9557059575042, - "chi4": null, - "chi5": null, - "a1": 121.102709192854, - "L4": 1.50833852049874, - "L5": 1.22631445852781, - "L2": 1.44916108062574, - "L3": 1.51818209302438, - "a7": 123.061678095162, - "L1": 1.32857875488757, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 116.180647049711, - "bs": 50.0, - "a2": 110.075820964056, - "a5": 120.139073648136, - "sidechain_LEU": null, - "chainIndex": 726, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.23313472205 - } -}, -{ - "pk": 2177, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.378390122264, - "psi": 153.06903888074, - "oldID": "934", - "bg": 15.12, - "sidechain_CYS": null, - "sidechain_ILE": 126, - "protein": "1H0H", - "zeta": 34.5716394322693, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2179, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2175, - "terminal_flag": false, - "phi": -138.866110274944, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.95200933326, - "chi2": -172.868268638666, - "chi3": null, - "chi1": 62.9715363640026, - "chi4": null, - "chi5": null, - "a1": 121.480303304209, - "L4": 1.51505378260582, - "L5": 1.21272935162539, - "L2": 1.47003091343733, - "L3": 1.54406341639704, - "a7": 122.327103790004, - "L1": 1.32565850760167, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.760046248123, - "bs": 14.0, - "a2": 112.954322646902, - "a5": 120.274279288299, - "sidechain_LEU": null, - "chainIndex": 933, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.829334582147 - } -}, -{ - "pk": 2178, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.899979224661, - "psi": -32.2132647178726, - "oldID": "728", - "bg": 63.54, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.867241281741, - "sidechain_PHE": null, - "sidechain_LYS": 153, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2180, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 2176, - "terminal_flag": false, - "phi": -70.0355562476595, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.431646581966, - "chi2": -172.165268725395, - "chi3": 170.815257014976, - "chi1": 52.0513237213164, - "chi4": 110.858682372087, - "chi5": null, - "a1": 120.48361306432, - "L4": 1.5135345856545, - "L5": 1.23280300721106, - "L2": 1.45405371152216, - "L3": 1.52665586024271, - "a7": 123.021862111075, - "L1": 1.32895750172403, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.827534926377, - "bs": 67.0, - "a2": 110.714816240985, - "a5": 121.077307512263, - "sidechain_LEU": null, - "chainIndex": 727, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.421740225819 - } -}, -{ - "pk": 2179, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 124, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.028677238766, - "psi": 153.952978373476, - "oldID": "935", - "bg": 13.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.0318225113398, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2181, - "sidechain_SER": null, - "bm": 12.0, - "xpr": false, - "prev": 2177, - "terminal_flag": false, - "phi": -85.2360610863082, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.312716878002, - "chi2": -41.75115439424, - "chi3": 27.2672892105765, - "chi1": 40.2114736702091, - "chi4": -2.13181191184062, - "chi5": null, - "a1": 121.238739641113, - "L4": 1.53297510174421, - "L5": 1.23696984174043, - "L2": 1.45803874175801, - "L3": 1.52520390713135, - "a7": 122.688145159763, - "L1": 1.33114503179924, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -5.20402958114669, - "ss": "E", - "a3": 107.876213230853, - "bs": 14.0, - "a2": 101.702975822294, - "a5": 119.280092459778, - "sidechain_LEU": null, - "chainIndex": 934, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.069788020784 - } -}, -{ - "pk": 2180, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.931396396743, - "psi": -26.3507886143679, - "oldID": "729", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7599115277874, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2182, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 2178, - "terminal_flag": false, - "phi": -70.659099826452, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.462357646434, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.422393465804, - "L4": 1.52218057852537, - "L5": 1.22971301516898, - "L2": 1.44656576364425, - "L3": 1.51200460123667, - "a7": 123.347673978839, - "L1": 1.32482958449569, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.83659712096, - "bs": 48.0, - "a2": 110.018548838042, - "a5": 120.718232892776, - "sidechain_LEU": null, - "chainIndex": 728, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.503918549391 - } -}, -{ - "pk": 2181, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.659877755381, - "psi": 27.8674403868215, - "oldID": "936", - "bg": 14.37, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.333134797778, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 41, - "next": 2183, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2179, - "terminal_flag": false, - "phi": -108.055138794417, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.200443714335, - "chi2": -68.9109720397663, - "chi3": null, - "chi1": 61.3714109559119, - "chi4": null, - "chi5": null, - "a1": 121.126011267933, - "L4": 1.53484224471493, - "L5": 1.2268153623971, - "L2": 1.45540258705329, - "L3": 1.5381678031193, - "a7": 122.381757862765, - "L1": 1.32059076443176, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.170501263159, - "bs": 15.0, - "a2": 111.284032900405, - "a5": 120.831560708639, - "sidechain_LEU": null, - "chainIndex": 935, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.158835844457 - } -}, -{ - "pk": 2182, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.592322055812, - "psi": -43.5242843360219, - "oldID": "730", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2184, - "sidechain_SER": null, - "bm": 49.0, - "xpr": false, - "prev": 2180, - "terminal_flag": false, - "phi": -71.7286281041246, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.419019171327, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.862767636685, - "L4": 1.510413934547, - "L5": 1.23054652245004, - "L2": 1.44951359003949, - "L3": null, - "a7": 123.400120141443, - "L1": 1.33145679360634, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.185154469022, - "bs": 0.0, - "a2": null, - "a5": 121.007555721003, - "sidechain_LEU": null, - "chainIndex": 729, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2183, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 119.760955765439, - "psi": 10.9501342038153, - "oldID": "937", - "bg": 15.51, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.785230107442, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2185, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2181, - "terminal_flag": false, - "phi": -93.1941498769076, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.229558036032, - "chi2": null, - "chi3": null, - "chi1": -55.677823873431, - "chi4": null, - "chi5": null, - "a1": 121.731135325616, - "L4": 1.53918244500825, - "L5": 1.22782432434816, - "L2": 1.46428713019072, - "L3": 1.54965148797937, - "a7": 120.662548837159, - "L1": 1.33052328467488, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 116.033606033215, - "bs": 15.0, - "a2": 109.018098884827, - "a5": 119.547291148184, - "sidechain_LEU": null, - "chainIndex": 936, - "sidechain_HIS": 65, - "h_bond_energy": 0.0, - "a4": 105.312495487276 - } -}, -{ - "pk": 2184, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.659160942425, - "psi": -41.6846145149486, - "oldID": "731", - "bg": 63.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3629077293333, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2186, - "sidechain_SER": null, - "bm": 51.0, - "xpr": false, - "prev": 2182, - "terminal_flag": false, - "phi": -60.3047311473289, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.398770904854, - "chi2": 136.376785834574, - "chi3": -178.555532425547, - "chi1": -66.9035129217257, - "chi4": 168.49224303033, - "chi5": -0.0368547193897095, - "a1": 122.616656255624, - "L4": 1.51429449237994, - "L5": 1.21841903398967, - "L2": 1.45394251894774, - "L3": 1.52359837270002, - "a7": 122.550073625702, - "L1": 1.3266589999863, - "sidechain_ARG": 107, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.988777797752, - "bs": 69.0, - "a2": 109.656571279207, - "a5": 120.788570847082, - "sidechain_LEU": null, - "chainIndex": 730, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.537253049385 - } -}, -{ - "pk": 2185, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.471324011235, - "psi": 159.854041130661, - "oldID": "938", - "bg": 13.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.3637119319749, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2188, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2183, - "terminal_flag": false, - "phi": -117.626874065681, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.373538080506, - "chi2": 81.1842695704842, - "chi3": null, - "chi1": -59.3660563690669, - "chi4": null, - "chi5": null, - "a1": 118.007824495618, - "L4": 1.5264481917014, - "L5": 1.23112221559832, - "L2": 1.45733269376733, - "L3": 1.53376393568094, - "a7": 123.303919330787, - "L1": 1.32966159367009, - "sidechain_ARG": null, - "sidechain_TYR": 69, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.149106754567, - "bs": 13.0, - "a2": 110.092619034809, - "a5": 120.199914270775, - "sidechain_LEU": null, - "chainIndex": 937, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.566659967396 - } -}, -{ - "pk": 2186, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.91382994131, - "psi": -39.7676150743003, - "oldID": "732", - "bg": 46.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5790184923032, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2187, - "sidechain_SER": null, - "bm": 49.0, - "xpr": false, - "prev": 2184, - "terminal_flag": false, - "phi": -57.7554013609357, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.756243147632, - "chi2": 171.349404913701, - "chi3": null, - "chi1": -73.6364107311089, - "chi4": null, - "chi5": null, - "a1": 120.423059902291, - "L4": 1.5187610325708, - "L5": 1.22657332884908, - "L2": 1.44969601834664, - "L3": 1.5338883597807, - "a7": 122.550698609594, - "L1": 1.32243720867319, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.854518108781, - "bs": 44.0, - "a2": 110.449990257913, - "a5": 120.53164103413, - "sidechain_LEU": 175, - "chainIndex": 731, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.051402545855 - } -}, -{ - "pk": 2187, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.158256624193, - "psi": -39.7614835789265, - "oldID": "733", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1031698669658, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2191, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 2186, - "terminal_flag": false, - "phi": -68.2189295089176, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.243027153757, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.353694885684, - "L4": 1.51899477544604, - "L5": 1.22898918022095, - "L2": 1.45600502229699, - "L3": 1.51171556322738, - "a7": 123.285870573751, - "L1": 1.32819728604749, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.739539097717, - "bs": 53.0, - "a2": 110.40355440129, - "a5": 120.555802564399, - "sidechain_LEU": null, - "chainIndex": 732, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.894527671212 - } -}, -{ - "pk": 2188, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.85678799858, - "psi": 150.029132910761, - "oldID": "939", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2189, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2185, - "terminal_flag": false, - "phi": -161.861003108376, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.809166471429, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.981837908444, - "L4": 1.50249942206519, - "L5": 1.23296212605261, - "L2": 1.44165405858217, - "L3": null, - "a7": 123.096855832598, - "L1": 1.33174241325577, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.327912870374, - "bs": 0.0, - "a2": null, - "a5": 121.044937791518, - "sidechain_LEU": null, - "chainIndex": 938, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2189, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.787462549834, - "psi": -18.7957056602305, - "oldID": "940", - "bg": 13.3, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7547618540023, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 42, - "next": 2190, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2188, - "terminal_flag": false, - "phi": -59.3064613875715, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.163735976241, - "chi2": -93.9088099197043, - "chi3": null, - "chi1": 63.6655772674423, - "chi4": null, - "chi5": null, - "a1": 122.031409643572, - "L4": 1.54177737603131, - "L5": 1.22715164396748, - "L2": 1.45374742659181, - "L3": 1.53987444950046, - "a7": 122.180190917588, - "L1": 1.3277643720187, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 115.846071928687, - "bs": 14.0, - "a2": 109.154793610264, - "a5": 119.018267944446, - "sidechain_LEU": null, - "chainIndex": 939, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.138517931908 - } -}, -{ - "pk": 2190, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.310251579857, - "psi": -22.8921167115288, - "oldID": "941", - "bg": 16.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 29.8539039205523, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2192, - "sidechain_SER": 104, - "bm": 15.0, - "xpr": false, - "prev": 2189, - "terminal_flag": false, - "phi": -72.5341110414177, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.576179625456, - "chi2": null, - "chi3": null, - "chi1": 76.242783921316, - "chi4": null, - "chi5": null, - "a1": 118.754253177647, - "L4": 1.51747259121707, - "L5": 1.22736496045633, - "L2": 1.46500198775813, - "L3": 1.54247382596643, - "a7": 123.723652423997, - "L1": 1.33240524825476, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 115.122696342129, - "bs": 15.0, - "a2": 113.751256026213, - "a5": 118.964770969643, - "sidechain_LEU": null, - "chainIndex": 940, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.971864404412 - } -}, -{ - "pk": 2191, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.970468579558, - "psi": -50.1905032213018, - "oldID": "734", - "bg": 64.91, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4886055322576, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2193, - "sidechain_SER": null, - "bm": 57.0, - "xpr": false, - "prev": 2187, - "terminal_flag": false, - "phi": -68.7746975514666, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.913440200903, - "chi2": 172.124060581289, - "chi3": 56.7412021643131, - "chi1": -178.979104081962, - "chi4": null, - "chi5": null, - "a1": 122.102792098788, - "L4": 1.52450622302385, - "L5": 1.22805482244581, - "L2": 1.45503293764212, - "L3": 1.52767623399493, - "a7": 122.432263605528, - "L1": 1.32777107290538, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 154, - "omep": null, - "ss": "H", - "a3": 111.649439202674, - "bs": 65.0, - "a2": 109.751565845407, - "a5": 120.596528996578, - "sidechain_LEU": null, - "chainIndex": 733, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.201408121661 - } -}, -{ - "pk": 2192, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.916819894952, - "psi": 140.445228082723, - "oldID": "942", - "bg": 15.84, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.6635252983133, - "sidechain_PHE": 79, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2194, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2190, - "terminal_flag": false, - "phi": -179.748135850554, - "chainID": "A", - "sidechain_GLN": null, - "ome": -3.85023773412178, - "chi2": 82.7961912117648, - "chi3": null, - "chi1": -168.671505333485, - "chi4": null, - "chi5": null, - "a1": 122.567986962817, - "L4": 1.52761693526057, - "L5": 1.2156413334032, - "L2": 1.46706623508791, - "L3": 1.53454713404921, - "a7": 121.339910572903, - "L1": 1.33577902876216, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.314900849027, - "bs": 16.0, - "a2": 110.227557366528, - "a5": 119.724333063616, - "sidechain_LEU": null, - "chainIndex": 941, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.134262790271 - } -}, -{ - "pk": 2193, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.730363175843, - "psi": -42.5224506933884, - "oldID": "735", - "bg": 58.72, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7434978649463, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 149, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2195, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 2191, - "terminal_flag": false, - "phi": -50.7260112261759, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.243474834363, - "chi2": null, - "chi3": null, - "chi1": 172.303343329376, - "chi4": null, - "chi5": null, - "a1": 120.833533578524, - "L4": 1.53562262600303, - "L5": 1.22523326741351, - "L2": 1.45631464964485, - "L3": 1.56083013074593, - "a7": 122.885627654279, - "L1": 1.32595531373679, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.053039333498, - "bs": 57.0, - "a2": 110.946854342293, - "a5": 120.369260479974, - "sidechain_LEU": null, - "chainIndex": 734, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.429124279039 - } -}, -{ - "pk": 2194, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 125, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.114118269039, - "psi": -175.817921695997, - "oldID": "943", - "bg": 14.41, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.5104309983417, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2196, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2192, - "terminal_flag": false, - "phi": -84.4363247445427, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.612717071331, - "chi2": -39.1031188963576, - "chi3": 25.1210036669018, - "chi1": 37.7634845538837, - "chi4": -1.62699753021789, - "chi5": null, - "a1": 123.951362415479, - "L4": 1.52580029359641, - "L5": 1.22050162333273, - "L2": 1.46094172147245, - "L3": 1.51800666273168, - "a7": 123.137337466678, - "L1": 1.32727070654351, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 177.59616495614, - "ss": "S", - "a3": 108.421086893656, - "bs": 14.0, - "a2": 102.414703108778, - "a5": 118.724195568372, - "sidechain_LEU": null, - "chainIndex": 942, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.50005721987 - } -}, -{ - "pk": 2195, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 93, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.658366730512, - "psi": -39.7199751772568, - "oldID": "736", - "bg": 61.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4452476809546, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2197, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 2193, - "terminal_flag": false, - "phi": -62.6625588485695, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.513584602969, - "chi2": 61.7863538537599, - "chi3": null, - "chi1": 177.790416079822, - "chi4": null, - "chi5": null, - "a1": 123.08300452239, - "L4": 1.52878178467926, - "L5": 1.22733513150921, - "L2": 1.46026511348742, - "L3": 1.53828570971167, - "a7": 121.76277842679, - "L1": 1.33197911635514, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.674631860475, - "bs": 60.0, - "a2": 110.39373345312, - "a5": 120.572152382628, - "sidechain_LEU": null, - "chainIndex": 735, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.693129806526 - } -}, -{ - "pk": 2196, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.324830362143, - "psi": -37.4937124991029, - "oldID": "944", - "bg": 23.5, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5003042655619, - "sidechain_PHE": null, - "sidechain_LYS": 154, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2198, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2194, - "terminal_flag": false, - "phi": -58.861874811668, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.422761235685, - "chi2": 149.402947008102, - "chi3": -176.290826703151, - "chi1": 60.1314653191761, - "chi4": 52.3824481735309, - "chi5": null, - "a1": 121.457287211641, - "L4": 1.52983574898998, - "L5": 1.2328959584658, - "L2": 1.46739388516163, - "L3": 1.53987301143953, - "a7": 121.309873582795, - "L1": 1.3289143393809, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.454757280413, - "bs": 24.0, - "a2": 110.640744680842, - "a5": 121.355927393306, - "sidechain_LEU": null, - "chainIndex": 943, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.729716766688 - } -}, -{ - "pk": 2197, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.028298697298, - "psi": 135.374426776471, - "oldID": "737", - "bg": 56.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2691192649449, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2199, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 2195, - "terminal_flag": false, - "phi": -60.802238458158, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.377188399051, - "chi2": 174.233268639874, - "chi3": null, - "chi1": -51.9462652304569, - "chi4": null, - "chi5": null, - "a1": 120.01611633782, - "L4": 1.51913186288428, - "L5": 1.23170537156195, - "L2": 1.45552456591731, - "L3": 1.52500721445914, - "a7": 123.421170709031, - "L1": 1.3240083455808, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 111.04995894611, - "bs": 55.0, - "a2": 110.167318874599, - "a5": 120.537660896529, - "sidechain_LEU": 176, - "chainIndex": 736, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.841658067729 - } -}, -{ - "pk": 2198, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 94, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.062812682328, - "psi": 36.4640651863196, - "oldID": "945", - "bg": 21.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.757055635628, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2200, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2196, - "terminal_flag": false, - "phi": -119.666961493332, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.039943750032, - "chi2": 26.328614877352, - "chi3": null, - "chi1": -155.593058828014, - "chi4": null, - "chi5": null, - "a1": 118.441404697557, - "L4": 1.51697604362297, - "L5": 1.22121655497602, - "L2": 1.45184554642385, - "L3": 1.53380844927604, - "a7": 122.691843551458, - "L1": 1.31890457413224, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.870918480984, - "bs": 21.0, - "a2": 108.858443538552, - "a5": 120.241890088546, - "sidechain_LEU": null, - "chainIndex": 944, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.088592290275 - } -}, -{ - "pk": 2199, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.793473095489, - "psi": 171.355180650227, - "oldID": "738", - "bg": 57.17, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.6347166572894, - "sidechain_PHE": null, - "sidechain_LYS": 155, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2201, - "sidechain_SER": null, - "bm": 52.0, - "xpr": false, - "prev": 2197, - "terminal_flag": false, - "phi": -81.3210013439829, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.383701196216, - "chi2": -162.531617769294, - "chi3": -165.812256832732, - "chi1": -44.5936959183016, - "chi4": 73.3662652965207, - "chi5": null, - "a1": 122.185741134129, - "L4": 1.51903531730298, - "L5": 1.22439773764592, - "L2": 1.46260506487805, - "L3": 1.52245298218033, - "a7": 122.363505772514, - "L1": 1.32940591984117, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.772077690687, - "bs": 59.0, - "a2": 110.272593000755, - "a5": 120.827631092122, - "sidechain_LEU": null, - "chainIndex": 737, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.652543735848 - } -}, -{ - "pk": 2200, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.083712913487, - "psi": -32.0999452937635, - "oldID": "946", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2202, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2198, - "terminal_flag": false, - "phi": -87.6334614527725, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.603397615594, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.947565609589, - "L4": 1.51263608848522, - "L5": 1.220427726397, - "L2": 1.44774414008648, - "L3": null, - "a7": 122.776050596286, - "L1": 1.33398930127143, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 111.106985031229, - "bs": 0.0, - "a2": null, - "a5": 121.133143490367, - "sidechain_LEU": null, - "chainIndex": 945, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2201, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 128, - "a6": 115.233005894764, - "psi": -5.07643326310404, - "oldID": "739", - "bg": 51.87, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8447383214791, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2203, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2199, - "terminal_flag": false, - "phi": -71.2793041829975, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.192077688122, - "chi2": -22.1260123259419, - "chi3": null, - "chi1": -60.7708599811909, - "chi4": null, - "chi5": null, - "a1": 120.283593581462, - "L4": 1.51125830326577, - "L5": 1.23245281212037, - "L2": 1.45301691985131, - "L3": 1.52447776282656, - "a7": 123.915829255242, - "L1": 1.3249380868226, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.275650402089, - "bs": 52.0, - "a2": 110.089800303572, - "a5": 120.839725950074, - "sidechain_LEU": null, - "chainIndex": 738, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.93157164314 - } -}, -{ - "pk": 2202, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.659785365788, - "psi": -174.664867358021, - "oldID": "947", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2204, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2200, - "terminal_flag": false, - "phi": 112.45459320242, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.000419544869, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.738391250115, - "L4": 1.51113827361977, - "L5": 1.22915194684256, - "L2": 1.45033988259872, - "L3": null, - "a7": 123.284805071107, - "L1": 1.32898934303122, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.876948408952, - "bs": 0.0, - "a2": null, - "a5": 120.055344191853, - "sidechain_LEU": null, - "chainIndex": 946, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2203, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.001552094479, - "psi": -28.2614601338903, - "oldID": "740", - "bg": 53.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.4874561806119, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2205, - "sidechain_SER": null, - "bm": 44.0, - "xpr": false, - "prev": 2201, - "terminal_flag": false, - "phi": -88.6189017320196, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.765931212674, - "chi2": 56.8118948319928, - "chi3": null, - "chi1": -61.0241670903696, - "chi4": null, - "chi5": null, - "a1": 123.43745560742, - "L4": 1.51558022651476, - "L5": 1.22896412560953, - "L2": 1.4617290505425, - "L3": 1.52593805666717, - "a7": 123.141037734657, - "L1": 1.32879818059531, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.505228735148, - "bs": 51.0, - "a2": 110.836623076794, - "a5": 120.798298411779, - "sidechain_LEU": 177, - "chainIndex": 739, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.959991097694 - } -}, -{ - "pk": 2204, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": 129, - "a6": 116.363682783159, - "psi": -170.149198262084, - "oldID": "948", - "bg": 12.95, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.8207501130599, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2206, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2202, - "terminal_flag": false, - "phi": -127.271673353821, - "chainID": "A", - "sidechain_GLN": null, - "ome": -171.105523977436, - "chi2": -8.3886460580626, - "chi3": null, - "chi1": -156.162127581343, - "chi4": null, - "chi5": null, - "a1": 120.63749210423, - "L4": 1.53015499722375, - "L5": 1.22953886068342, - "L2": 1.46258625578531, - "L3": 1.52977881759062, - "a7": 122.832041732277, - "L1": 1.3294791169805, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.637405346817, - "bs": 13.0, - "a2": 110.032504606581, - "a5": 120.78791441671, - "sidechain_LEU": null, - "chainIndex": 947, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.879805115946 - } -}, -{ - "pk": 2205, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 95, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.19484944526, - "psi": 117.791583198909, - "oldID": "741", - "bg": 32.17, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6700346158386, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2207, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2203, - "terminal_flag": false, - "phi": -53.4252006585432, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.796333038937, - "chi2": 85.1519178871398, - "chi3": null, - "chi1": -170.990264803625, - "chi4": null, - "chi5": null, - "a1": 120.889404555334, - "L4": 1.52957870411944, - "L5": 1.22360303304107, - "L2": 1.4531214831114, - "L3": 1.52792371170096, - "a7": 122.941075482221, - "L1": 1.32885785714324, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.453538758513, - "bs": 32.0, - "a2": 110.162217189368, - "a5": 120.863317002571, - "sidechain_LEU": null, - "chainIndex": 740, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.164030832124 - } -}, -{ - "pk": 2206, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.904341052775, - "psi": 131.795387337779, - "oldID": "949", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.8210724629923, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2208, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2204, - "terminal_flag": false, - "phi": -73.0190653758543, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.213431897997, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.613105074874, - "L4": 1.51959254728667, - "L5": 1.2010745185206, - "L2": 1.44970469749271, - "L3": 1.55390382647768, - "a7": 123.104525766817, - "L1": 1.32752721237843, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.358392673074, - "bs": 13.0, - "a2": 108.66160775082, - "a5": 119.935380337633, - "sidechain_LEU": null, - "chainIndex": 948, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.695360994028 - } -}, -{ - "pk": 2207, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 96, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.184072447855, - "psi": -33.4034855175865, - "oldID": "742", - "bg": 32.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3191445712191, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2209, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2205, - "terminal_flag": false, - "phi": -61.1829205951172, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.543694828309, - "chi2": -72.2079776943427, - "chi3": null, - "chi1": -54.163533349907, - "chi4": null, - "chi5": null, - "a1": 122.80564052416, - "L4": 1.5236998122738, - "L5": 1.23343870800349, - "L2": 1.46086738518658, - "L3": 1.5173364467833, - "a7": 122.920728357382, - "L1": 1.32805970760962, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.867363530774, - "bs": 32.0, - "a2": 109.538414898633, - "a5": 120.874598829596, - "sidechain_LEU": null, - "chainIndex": 741, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.139025284908 - } -}, -{ - "pk": 2208, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.689922151574, - "psi": -31.6732659283949, - "oldID": "950", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9003215410332, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2210, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2206, - "terminal_flag": false, - "phi": -56.1444896696172, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.379543018717, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.256514251585, - "L4": 1.53556936940487, - "L5": 1.23388420763643, - "L2": 1.45563462007341, - "L3": 1.50622593890924, - "a7": 123.194604458638, - "L1": 1.3276708276182, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 109.359408251592, - "bs": 15.0, - "a2": 110.214834077408, - "a5": 120.110931890934, - "sidechain_LEU": null, - "chainIndex": 949, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.45832601757 - } -}, -{ - "pk": 2209, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.799034917391, - "psi": -48.040918377348, - "oldID": "743", - "bg": 25.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6652431719495, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 150, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2211, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 2207, - "terminal_flag": false, - "phi": -67.0905629322538, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.432018220229, - "chi2": null, - "chi3": null, - "chi1": 164.029083904167, - "chi4": null, - "chi5": null, - "a1": 119.305594774523, - "L4": 1.51082697431248, - "L5": 1.22511032228438, - "L2": 1.4372013627476, - "L3": 1.53094481509377, - "a7": 123.296730402198, - "L1": 1.32698884586488, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 106.25347871545, - "bs": 24.0, - "a2": 112.653098644993, - "a5": 120.898131456127, - "sidechain_LEU": null, - "chainIndex": 742, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.776543984806 - } -}, -{ - "pk": 2210, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 97, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.642111863039, - "psi": -4.76270067478134, - "oldID": "951", - "bg": 13.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.171728018198, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2212, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2208, - "terminal_flag": false, - "phi": -65.2576372597166, - "chainID": "A", - "sidechain_GLN": null, - "ome": 170.347893992468, - "chi2": -41.7054880755816, - "chi3": null, - "chi1": -80.4269413416834, - "chi4": null, - "chi5": null, - "a1": 121.265241556561, - "L4": 1.51215372008777, - "L5": 1.22800613964856, - "L2": 1.46411209815479, - "L3": 1.54133050541147, - "a7": 122.232645476238, - "L1": 1.33158959418924, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 115.942562553609, - "bs": 14.0, - "a2": 111.690134988913, - "a5": 121.122948064954, - "sidechain_LEU": null, - "chainIndex": 950, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.102529207397 - } -}, -{ - "pk": 2211, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.790280126994, - "psi": -33.3277477628701, - "oldID": "744", - "bg": 42.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2158643123111, - "sidechain_PHE": null, - "sidechain_LYS": 156, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2213, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2209, - "terminal_flag": false, - "phi": -62.079919779272, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.163254087707, - "chi2": -173.581472776566, - "chi3": 174.374289137062, - "chi1": -176.410768385263, - "chi4": 135.724923980295, - "chi5": null, - "a1": 121.459343859133, - "L4": 1.51711439738449, - "L5": 1.22911565214105, - "L2": 1.44835201934228, - "L3": 1.52510409040917, - "a7": 122.741493453226, - "L1": 1.32759563925203, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.003369936312, - "bs": 44.0, - "a2": 111.627603810143, - "a5": 120.461628434658, - "sidechain_LEU": null, - "chainIndex": 743, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.550858484327 - } -}, -{ - "pk": 2212, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.598286733834, - "psi": -29.1173065114328, - "oldID": "952", - "bg": 16.81, - "sidechain_CYS": null, - "sidechain_ILE": 127, - "protein": "1H0H", - "zeta": 35.2966386147397, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2214, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2210, - "terminal_flag": false, - "phi": -59.479659860264, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.520327833341, - "chi2": -179.196419061196, - "chi3": null, - "chi1": -71.562570329342, - "chi4": null, - "chi5": null, - "a1": 120.866671927579, - "L4": 1.53772600649779, - "L5": 1.24300619116208, - "L2": 1.45145442709099, - "L3": 1.52200041019369, - "a7": 122.976392924444, - "L1": 1.32608481261165, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 110.198939296902, - "bs": 16.0, - "a2": 108.727455366897, - "a5": 121.413238215239, - "sidechain_LEU": null, - "chainIndex": 951, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.371071400788 - } -}, -{ - "pk": 2213, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.455545131111, - "psi": -45.9083288198416, - "oldID": "745", - "bg": 37.09, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.3686768648854, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2215, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2211, - "terminal_flag": false, - "phi": -65.3903943588901, - "chainID": "A", - "sidechain_GLN": 83, - "ome": -179.508119879033, - "chi2": -172.579826158204, - "chi3": -83.6213136485127, - "chi1": -73.0624002126954, - "chi4": null, - "chi5": null, - "a1": 119.861469317126, - "L4": 1.52513309708631, - "L5": 1.21755033179035, - "L2": 1.44907832338923, - "L3": 1.53198489979243, - "a7": 121.731909780033, - "L1": 1.32676214781631, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.922402494177, - "bs": 37.0, - "a2": 111.555582819867, - "a5": 119.807636844673, - "sidechain_LEU": null, - "chainIndex": 744, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.925501963343 - } -}, -{ - "pk": 2214, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.118638501153, - "psi": -21.2853982757357, - "oldID": "953", - "bg": 14.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.5522717955399, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2217, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2212, - "terminal_flag": false, - "phi": -91.9303101223681, - "chainID": "A", - "sidechain_GLN": null, - "ome": -170.217155064691, - "chi2": 172.909798979366, - "chi3": null, - "chi1": -55.3477526661654, - "chi4": null, - "chi5": null, - "a1": 123.003262063644, - "L4": 1.53857446063257, - "L5": 1.22278209705196, - "L2": 1.45464528811408, - "L3": 1.54135712972753, - "a7": 122.39215144143, - "L1": 1.33444679860549, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.826903999747, - "bs": 15.0, - "a2": 109.455174968434, - "a5": 119.47877420391, - "sidechain_LEU": 178, - "chainIndex": 952, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.807212612168 - } -}, -{ - "pk": 2215, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.643779699454, - "psi": -30.8863436343533, - "oldID": "746", - "bg": 28.81, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.9605529004456, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 56, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2216, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2213, - "terminal_flag": false, - "phi": -61.393934838418, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.519906603883, - "chi2": -171.061443794479, - "chi3": -94.5475570621103, - "chi1": -67.6422358386017, - "chi4": null, - "chi5": null, - "a1": 119.487228106582, - "L4": 1.51777817081627, - "L5": 1.23190418379274, - "L2": 1.45098573432207, - "L3": 1.52081110835959, - "a7": 124.18316183014, - "L1": 1.32774392260435, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.511248299556, - "bs": 28.0, - "a2": 110.844820645938, - "a5": 120.164851059446, - "sidechain_LEU": null, - "chainIndex": 745, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.534570972097 - } -}, -{ - "pk": 2216, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.970732696341, - "psi": -38.4396106311489, - "oldID": "747", - "bg": 33.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7817434180994, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 151, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2218, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2215, - "terminal_flag": false, - "phi": -71.8433269654964, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.695162943523, - "chi2": null, - "chi3": null, - "chi1": 168.494641241266, - "chi4": null, - "chi5": null, - "a1": 123.393760730554, - "L4": 1.53424022197431, - "L5": 1.23686161201724, - "L2": 1.44696337593534, - "L3": 1.54507379717009, - "a7": 122.015304115422, - "L1": 1.33055336053932, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.624825381045, - "bs": 33.0, - "a2": 110.226714585605, - "a5": 121.006868726226, - "sidechain_LEU": null, - "chainIndex": 746, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.818801265289 - } -}, -{ - "pk": 2217, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.127181522362, - "psi": 150.539807471437, - "oldID": "954", - "bg": 16.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1970981154501, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 118, - "sidechain_TRP": null, - "next": 2222, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2214, - "terminal_flag": false, - "phi": -84.7328041730237, - "chainID": "A", - "sidechain_GLN": null, - "ome": 171.603740499181, - "chi2": null, - "chi3": null, - "chi1": 56.3942923626987, - "chi4": null, - "chi5": null, - "a1": 120.191949619865, - "L4": 1.51308251165892, - "L5": 1.22045549484023, - "L2": 1.46771463837168, - "L3": 1.54357517653302, - "a7": 124.145477134882, - "L1": 1.33265363378704, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 116.413662238488, - "bs": 17.0, - "a2": 112.823906989092, - "a5": 120.670174517037, - "sidechain_LEU": null, - "chainIndex": 953, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 104.723455658394 - } -}, -{ - "pk": 2218, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.004630531187, - "psi": -31.2249070402197, - "oldID": "748", - "bg": 56.75, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3431393006028, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 57, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2219, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 2216, - "terminal_flag": false, - "phi": -69.5234979909264, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.612612584145, - "chi2": -164.331501990241, - "chi3": -103.332223365891, - "chi1": -65.0504910452558, - "chi4": null, - "chi5": null, - "a1": 120.378835898861, - "L4": 1.51767137073019, - "L5": 1.22876054883428, - "L2": 1.46080829358902, - "L3": 1.52894565872827, - "a7": 123.011103182806, - "L1": 1.32847232859624, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.285862154505, - "bs": 59.0, - "a2": 110.648830767878, - "a5": 120.983382469264, - "sidechain_LEU": null, - "chainIndex": 747, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.313397245055 - } -}, -{ - "pk": 2219, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.507464193807, - "psi": -18.8232165874372, - "oldID": "749", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5245323537987, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2220, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 2218, - "terminal_flag": false, - "phi": -83.2498971532178, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.990696058177, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.07107473786, - "L4": 1.52791018481291, - "L5": 1.22705106999925, - "L2": 1.45053752416584, - "L3": 1.51248822096124, - "a7": 122.966116269264, - "L1": 1.32352543553894, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.21650756858, - "bs": 44.0, - "a2": 109.898812232492, - "a5": 120.52483631186, - "sidechain_LEU": null, - "chainIndex": 748, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.258531388004 - } -}, -{ - "pk": 2220, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.357511966517, - "psi": 18.8587353850105, - "oldID": "750", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2221, - "sidechain_SER": null, - "bm": 47.0, - "xpr": false, - "prev": 2219, - "terminal_flag": false, - "phi": 85.1105092952598, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.968198991016, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.759341004703, - "L4": 1.51762460834539, - "L5": 1.22575446697474, - "L2": 1.45176512203362, - "L3": null, - "a7": 122.425958710962, - "L1": 1.33079916364038, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.321319735603, - "bs": 0.0, - "a2": null, - "a5": 121.215804368677, - "sidechain_LEU": null, - "chainIndex": 749, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2221, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.8752004005, - "psi": 94.9743437538257, - "oldID": "751", - "bg": 53.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6816571517057, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2223, - "sidechain_SER": 105, - "bm": 54.0, - "xpr": false, - "prev": 2220, - "terminal_flag": false, - "phi": -111.995044464749, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.824385132273, - "chi2": null, - "chi3": null, - "chi1": 39.0330592080966, - "chi4": null, - "chi5": null, - "a1": 121.417845991344, - "L4": 1.52122066866342, - "L5": 1.22103257490622, - "L2": 1.45040840665353, - "L3": 1.52366198188162, - "a7": 122.981131582621, - "L1": 1.32202304639002, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.246818631312, - "bs": 54.0, - "a2": 109.169209189267, - "a5": 121.133907104841, - "sidechain_LEU": null, - "chainIndex": 750, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.219082957021 - } -}, -{ - "pk": 2222, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 126, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.924697049773, - "psi": 175.227976094611, - "oldID": "955", - "bg": 23.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 41.8074316539241, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2224, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2217, - "terminal_flag": false, - "phi": -99.7071901861341, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.594447385906, - "chi2": -17.8466468292778, - "chi3": -1.12542870196831, - "chi1": 29.5856731134529, - "chi4": 21.3991058995589, - "chi5": null, - "a1": 122.817298889603, - "L4": 1.54037416107996, - "L5": 1.24890628657531, - "L2": 1.46096024826024, - "L3": 1.52516644785652, - "a7": 122.404673683179, - "L1": 1.33009004162453, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -7.07453436980341, - "ss": "-", - "a3": 105.21313782396, - "bs": 23.0, - "a2": 102.446978201256, - "a5": 119.614203199266, - "sidechain_LEU": null, - "chainIndex": 954, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.006584783415 - } -}, -{ - "pk": 2223, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.0701235095, - "psi": 140.765035156686, - "oldID": "752", - "bg": 61.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.9677456317736, - "sidechain_PHE": null, - "sidechain_LYS": 157, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2225, - "sidechain_SER": null, - "bm": 54.0, - "xpr": false, - "prev": 2221, - "terminal_flag": false, - "phi": 66.5968955095283, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.634616856421, - "chi2": 65.1803302894886, - "chi3": -175.612475465667, - "chi1": -112.437722232208, - "chi4": -58.1258789142361, - "chi5": null, - "a1": 122.85506235545, - "L4": 1.52392097848025, - "L5": 1.23776317853673, - "L2": 1.45953271745212, - "L3": 1.53793413598125, - "a7": 124.219032919457, - "L1": 1.32212807662828, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 115.463586598275, - "bs": 64.0, - "a2": 111.299419791678, - "a5": 121.710713115775, - "sidechain_LEU": null, - "chainIndex": 751, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.417213465607 - } -}, -{ - "pk": 2224, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.095963294322, - "psi": -177.902867827567, - "oldID": "956", - "bg": 35.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.130499834541, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2226, - "sidechain_SER": 106, - "bm": 34.0, - "xpr": false, - "prev": 2222, - "terminal_flag": false, - "phi": -79.245582677922, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.123145256797, - "chi2": null, - "chi3": null, - "chi1": 22.7251403576962, - "chi4": null, - "chi5": null, - "a1": 120.628093834802, - "L4": 1.54286279791772, - "L5": 1.24200275064966, - "L2": 1.47490942395522, - "L3": 1.53587708463477, - "a7": 121.587069440482, - "L1": 1.32948582928774, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 113.348602302668, - "bs": 34.0, - "a2": 110.549720673617, - "a5": 121.313235546192, - "sidechain_LEU": null, - "chainIndex": 955, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.562649368037 - } -}, -{ - "pk": 2225, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.353838912729, - "psi": 156.769598861219, - "oldID": "753", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2227, - "sidechain_SER": null, - "bm": 48.0, - "xpr": false, - "prev": 2223, - "terminal_flag": false, - "phi": 90.6553376090298, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.321440097795, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.474810931316, - "L4": 1.52076505225381, - "L5": 1.22013198473826, - "L2": 1.44909542881287, - "L3": null, - "a7": 122.588413476154, - "L1": 1.33364764457041, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.097243606791, - "bs": 0.0, - "a2": null, - "a5": 121.047048067724, - "sidechain_LEU": null, - "chainIndex": 752, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2226, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.866741660516, - "psi": -17.1424334779945, - "oldID": "957", - "bg": 33.45, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9729128842816, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 152, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2228, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 2224, - "terminal_flag": false, - "phi": -75.9345145237848, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.72845108096, - "chi2": null, - "chi3": null, - "chi1": -64.1053275979935, - "chi4": null, - "chi5": null, - "a1": 119.340870338045, - "L4": 1.5195772653858, - "L5": 1.2377633892808, - "L2": 1.45798267732287, - "L3": 1.54953622920571, - "a7": 122.734997814647, - "L1": 1.32836589124052, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.216841883209, - "bs": 34.0, - "a2": 112.912202690482, - "a5": 120.390056402773, - "sidechain_LEU": null, - "chainIndex": 956, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.746509912411 - } -}, -{ - "pk": 2227, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.780812586447, - "psi": 178.455496707614, - "oldID": "754", - "bg": 52.43, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4803181023707, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2229, - "sidechain_SER": 107, - "bm": 46.0, - "xpr": false, - "prev": 2225, - "terminal_flag": false, - "phi": -160.295347867944, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.412015420301, - "chi2": null, - "chi3": null, - "chi1": 73.1224484433089, - "chi4": null, - "chi5": null, - "a1": 122.333772475151, - "L4": 1.51995912868839, - "L5": 1.23039824813267, - "L2": 1.45530021933876, - "L3": 1.53617695208458, - "a7": 123.57288797843, - "L1": 1.32565898435541, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.408507735285, - "bs": 50.0, - "a2": 111.71324024835, - "a5": 120.646248794921, - "sidechain_LEU": null, - "chainIndex": 753, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.598921601313 - } -}, -{ - "pk": 2228, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 114.999626556973, - "psi": -143.776912107288, - "oldID": "958", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2230, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 2226, - "terminal_flag": false, - "phi": -141.558796300995, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.567883268754, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.658642473201, - "L4": 1.52094190655323, - "L5": 1.24202530942349, - "L2": 1.45171029512746, - "L3": null, - "a7": 123.612376754986, - "L1": 1.33251330841446, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 118.071192022218, - "bs": 0.0, - "a2": null, - "a5": 121.381689335246, - "sidechain_LEU": null, - "chainIndex": 957, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2229, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.345814124824, - "psi": -59.7487600773971, - "oldID": "755", - "bg": 51.43, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5119982908489, - "sidechain_PHE": 80, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2231, - "sidechain_SER": null, - "bm": 46.0, - "xpr": false, - "prev": 2227, - "terminal_flag": false, - "phi": -52.0494410304707, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.027986272073, - "chi2": 61.2924179755875, - "chi3": null, - "chi1": 171.874542275547, - "chi4": null, - "chi5": null, - "a1": 122.861928475618, - "L4": 1.51736141981888, - "L5": 1.23069831026231, - "L2": 1.46101530800671, - "L3": 1.53178071926419, - "a7": 123.053869190452, - "L1": 1.33097224573209, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.902073852758, - "bs": 51.0, - "a2": 109.936415149016, - "a5": 120.594788748669, - "sidechain_LEU": null, - "chainIndex": 754, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.31227646321 - } -}, -{ - "pk": 2230, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 98, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.336429260088, - "psi": -20.074568660163, - "oldID": "959", - "bg": 44.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1532152242176, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2232, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 2228, - "terminal_flag": false, - "phi": -69.3138971476888, - "chainID": "A", - "sidechain_GLN": null, - "ome": 173.963104349578, - "chi2": -55.2153809176576, - "chi3": null, - "chi1": -70.3409411180771, - "chi4": null, - "chi5": null, - "a1": 122.79276366801, - "L4": 1.53149405483969, - "L5": 1.2435270485877, - "L2": 1.45991392281817, - "L3": 1.53608409208348, - "a7": 122.83585223277, - "L1": 1.33671699134527, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.496989266379, - "bs": 44.0, - "a2": 110.780535086868, - "a5": 120.811882613173, - "sidechain_LEU": null, - "chainIndex": 958, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.750347059567 - } -}, -{ - "pk": 2231, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.442040918481, - "psi": -34.9863310876887, - "oldID": "756", - "bg": 47.64, - "sidechain_CYS": null, - "sidechain_ILE": 128, - "protein": "1TWF", - "zeta": 33.4793906066162, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2233, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 2229, - "terminal_flag": false, - "phi": -45.3448775878691, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.805163824304, - "chi2": -52.4877223184804, - "chi3": null, - "chi1": -132.758970683162, - "chi4": null, - "chi5": null, - "a1": 121.498046839723, - "L4": 1.54078309256959, - "L5": 1.23725702002525, - "L2": 1.45819021400457, - "L3": 1.57482645637258, - "a7": 122.640153457893, - "L1": 1.32825030471372, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.088414739697, - "bs": 47.0, - "a2": 110.272543451798, - "a5": 120.897734822707, - "sidechain_LEU": null, - "chainIndex": 755, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.030165921029 - } -}, -{ - "pk": 2232, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 127, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.849250523677, - "psi": 151.245944070867, - "oldID": "960", - "bg": 38.21, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 41.1104421296657, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2234, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 2230, - "terminal_flag": false, - "phi": -53.963217606295, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.631980265824, - "chi2": 30.3644247985754, - "chi3": -22.0880166337526, - "chi1": -26.0611087036021, - "chi4": 5.29304553253268, - "chi5": null, - "a1": 121.281107478564, - "L4": 1.51901712331893, - "L5": 1.24351409852665, - "L2": 1.46563977454275, - "L3": 1.53651101758743, - "a7": 123.39497844303, - "L1": 1.33377581262821, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -6.92311374190791, - "ss": "-", - "a3": 108.205712346102, - "bs": 38.0, - "a2": 102.928733275689, - "a5": 118.755656680119, - "sidechain_LEU": null, - "chainIndex": 959, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.834485467799 - } -}, -{ - "pk": 2233, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 99, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.082104452528, - "psi": -53.0211285363103, - "oldID": "757", - "bg": 43.86, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8844738660947, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2235, - "sidechain_SER": null, - "bm": 43.0, - "xpr": false, - "prev": 2231, - "terminal_flag": false, - "phi": -66.0090451263172, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.231017125638, - "chi2": -48.8522246432354, - "chi3": null, - "chi1": -64.3137064568452, - "chi4": null, - "chi5": null, - "a1": 121.22100800526, - "L4": 1.52426099072178, - "L5": 1.23313105200681, - "L2": 1.45618379765916, - "L3": 1.53123450066596, - "a7": 122.401456761868, - "L1": 1.33239932653154, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.25069986826, - "bs": 42.0, - "a2": 110.498599948418, - "a5": 120.516388940669, - "sidechain_LEU": null, - "chainIndex": 756, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.128769291346 - } -}, -{ - "pk": 2234, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 100, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.343960061167, - "psi": -27.6994229970249, - "oldID": "961", - "bg": 34.19, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.814756647617, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2236, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2232, - "terminal_flag": false, - "phi": -93.258820706331, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.733666083176, - "chi2": -43.6854669238158, - "chi3": null, - "chi1": -49.9376004480864, - "chi4": null, - "chi5": null, - "a1": 119.74367400254, - "L4": 1.54080498667682, - "L5": 1.22227778537808, - "L2": 1.4540494253986, - "L3": 1.52997142678294, - "a7": 122.767096594455, - "L1": 1.33260873560578, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.68930168294, - "bs": 34.0, - "a2": 109.999781061129, - "a5": 120.865904794545, - "sidechain_LEU": null, - "chainIndex": 960, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.905962394732 - } -}, -{ - "pk": 2235, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.305984759301, - "psi": -45.1360864523998, - "oldID": "758", - "bg": 38.47, - "sidechain_CYS": null, - "sidechain_ILE": 129, - "protein": "1TWF", - "zeta": 34.4076989934628, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2237, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 2233, - "terminal_flag": false, - "phi": -60.0574803694625, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.961636673051, - "chi2": 178.532459317868, - "chi3": null, - "chi1": -65.6338960483759, - "chi4": null, - "chi5": null, - "a1": 119.054947932681, - "L4": 1.52224812257914, - "L5": 1.23399970320926, - "L2": 1.44782751445156, - "L3": 1.52563970124215, - "a7": 123.405258590545, - "L1": 1.32683547931276, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.749469183028, - "bs": 38.0, - "a2": 111.342267620533, - "a5": 121.277361028297, - "sidechain_LEU": null, - "chainIndex": 757, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.315047939968 - } -}, -{ - "pk": 2236, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.126943626024, - "psi": -176.004215731416, - "oldID": "962", - "bg": 33.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6120357403437, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 119, - "sidechain_TRP": null, - "next": 2238, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2234, - "terminal_flag": false, - "phi": -123.693489593654, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.775845820434, - "chi2": null, - "chi3": null, - "chi1": 51.9948178108579, - "chi4": null, - "chi5": null, - "a1": 122.907093425702, - "L4": 1.52987328691822, - "L5": 1.23074798984996, - "L2": 1.4721696491963, - "L3": 1.53446325291076, - "a7": 122.237961305808, - "L1": 1.3361748102038, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.023631219012, - "bs": 33.0, - "a2": 110.627125775803, - "a5": 119.634752740611, - "sidechain_LEU": null, - "chainIndex": 961, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.128146362412 - } -}, -{ - "pk": 2237, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.257983678135, - "psi": -39.2081031856676, - "oldID": "759", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2293436172032, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2239, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 2235, - "terminal_flag": false, - "phi": -54.5144880738207, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.41510865119, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.457332744411, - "L4": 1.51732268040072, - "L5": 1.23153449422121, - "L2": 1.45219181279964, - "L3": 1.50896106590404, - "a7": 122.169770838848, - "L1": 1.32698306896207, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.796468178243, - "bs": 35.0, - "a2": 110.061679802724, - "a5": 120.571475640356, - "sidechain_LEU": null, - "chainIndex": 758, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.067544652455 - } -}, -{ - "pk": 2238, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.429225400234, - "psi": -131.054116247307, - "oldID": "963", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2240, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2236, - "terminal_flag": false, - "phi": 114.650934715473, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.477189737, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.9212138076, - "L4": 1.52048430850989, - "L5": 1.24174950502264, - "L2": 1.45524692429654, - "L3": null, - "a7": 122.599099564377, - "L1": 1.3353836287657, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 117.223230299956, - "bs": 0.0, - "a2": null, - "a5": 120.924886081555, - "sidechain_LEU": null, - "chainIndex": 962, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2239, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.365151709316, - "psi": -34.9009136806057, - "oldID": "760", - "bg": 37.04, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9012173912723, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2241, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2237, - "terminal_flag": false, - "phi": -85.6397820849106, - "chainID": "A", - "sidechain_GLN": 84, - "ome": -179.85112461625, - "chi2": -172.835223831807, - "chi3": -58.8973486918623, - "chi1": -59.4721965146471, - "chi4": null, - "chi5": null, - "a1": 119.527097622638, - "L4": 1.50876080831249, - "L5": 1.23717726867797, - "L2": 1.45021797270442, - "L3": 1.52665643211309, - "a7": 123.107755284957, - "L1": 1.32311653967768, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.366036381328, - "bs": 36.0, - "a2": 109.751652079567, - "a5": 120.516763622721, - "sidechain_LEU": null, - "chainIndex": 759, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.887295682815 - } -}, -{ - "pk": 2240, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.693460928207, - "psi": 124.23157047943, - "oldID": "964", - "bg": 31.77, - "sidechain_CYS": null, - "sidechain_ILE": 130, - "protein": "1H0H", - "zeta": 33.5293063988706, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2242, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2238, - "terminal_flag": false, - "phi": -75.8903916293904, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.990935067175, - "chi2": 174.40358690494, - "chi3": null, - "chi1": -60.5311375315065, - "chi4": null, - "chi5": null, - "a1": 120.435555554518, - "L4": 1.52131739903326, - "L5": 1.23106604373729, - "L2": 1.4647499786827, - "L3": 1.5504965897575, - "a7": 121.801951039535, - "L1": 1.33332859392442, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.837124758105, - "bs": 31.0, - "a2": 111.215190955398, - "a5": 120.489187480321, - "sidechain_LEU": null, - "chainIndex": 963, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.21127744566 - } -}, -{ - "pk": 2241, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.655062565759, - "psi": -51.1285543907104, - "oldID": "761", - "bg": 35.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8472249229732, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 58, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2243, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 2239, - "terminal_flag": false, - "phi": -67.1104828581182, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.698138736065, - "chi2": -155.088166632416, - "chi3": -83.5196405649846, - "chi1": -74.046803999589, - "chi4": null, - "chi5": null, - "a1": 119.889632324656, - "L4": 1.51760816830108, - "L5": 1.23756003422371, - "L2": 1.45364079081073, - "L3": 1.52967683351033, - "a7": 124.168628873102, - "L1": 1.32400289073499, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.070698502757, - "bs": 36.0, - "a2": 110.842439830132, - "a5": 121.1734287937, - "sidechain_LEU": null, - "chainIndex": 760, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.532432312964 - } -}, -{ - "pk": 2242, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 128, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 118.993941347755, - "psi": 134.680252473019, - "oldID": "965", - "bg": 31.13, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.6995152379263, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2244, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 2240, - "terminal_flag": false, - "phi": -77.1230337112986, - "chainID": "A", - "sidechain_GLN": null, - "ome": 165.675823455966, - "chi2": 12.9002074910885, - "chi3": -21.7371937546746, - "chi1": 1.25791663207776, - "chi4": 24.4583610288396, - "chi5": null, - "a1": 119.2387256229, - "L4": 1.53991855430798, - "L5": 1.22936482461288, - "L2": 1.47467816784929, - "L3": 1.55444429239355, - "a7": 122.254560459104, - "L1": 1.32436540507909, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 1.67290963925066, - "ss": "B", - "a3": 113.437789876735, - "bs": 31.0, - "a2": 103.93981078989, - "a5": 118.735381514309, - "sidechain_LEU": null, - "chainIndex": 964, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.739490573262 - } -}, -{ - "pk": 2243, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.311558832451, - "psi": -44.4980472022999, - "oldID": "762", - "bg": 45.3, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8448606353615, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2245, - "sidechain_SER": 108, - "bm": 42.0, - "xpr": false, - "prev": 2241, - "terminal_flag": false, - "phi": -86.308708385117, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.772291507423, - "chi2": null, - "chi3": null, - "chi1": -43.7335546023237, - "chi4": null, - "chi5": null, - "a1": 123.502338428594, - "L4": 1.51331900501079, - "L5": 1.23308619511249, - "L2": 1.4608909798063, - "L3": 1.52188080450392, - "a7": 122.705924956996, - "L1": 1.33080990364002, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 116.276758991873, - "bs": 43.0, - "a2": 109.138808919135, - "a5": 120.955469754697, - "sidechain_LEU": null, - "chainIndex": 761, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.80989724391 - } -}, -{ - "pk": 2244, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 113.88762147599, - "psi": 94.9189725906912, - "oldID": "966", - "bg": 34.04, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.3156026410026, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2246, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2242, - "terminal_flag": false, - "phi": -82.4535183303288, - "chainID": "A", - "sidechain_GLN": null, - "ome": -169.762461312743, - "chi2": 21.4671000168265, - "chi3": 79.9000958956218, - "chi1": -175.433588792525, - "chi4": null, - "chi5": null, - "a1": 117.970260444269, - "L4": 1.51865451959946, - "L5": 1.23907730794564, - "L2": 1.46872762220315, - "L3": 1.52043995795248, - "a7": 124.069243301723, - "L1": 1.33440842683763, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 155, - "omep": null, - "ss": "-", - "a3": 100.559587070746, - "bs": 34.0, - "a2": 114.851376235006, - "a5": 122.032627235583, - "sidechain_LEU": null, - "chainIndex": 965, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.53825379009 - } -}, -{ - "pk": 2245, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.952055514609, - "psi": -176.561051789577, - "oldID": "763", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1898046885195, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2247, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 2243, - "terminal_flag": false, - "phi": -118.333116893166, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.093478754056, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.166380434695, - "L4": 1.50764417128543, - "L5": 1.22939670998178, - "L2": 1.44889333176852, - "L3": 1.52768384872673, - "a7": 123.138646363652, - "L1": 1.3225222362509, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.637206423513, - "bs": 42.0, - "a2": 110.847662843356, - "a5": 121.895889972946, - "sidechain_LEU": null, - "chainIndex": 762, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.57917539795 - } -}, -{ - "pk": 2246, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.74860371788, - "psi": -19.3109479330317, - "oldID": "967", - "bg": 29.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.8860896280772, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 120, - "sidechain_TRP": null, - "next": 2248, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2244, - "terminal_flag": false, - "phi": -84.7911218941108, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.774896190966, - "chi2": null, - "chi3": null, - "chi1": 68.202240444884, - "chi4": null, - "chi5": null, - "a1": 122.535109886625, - "L4": 1.51847715079226, - "L5": 1.21427839595172, - "L2": 1.44891294162953, - "L3": 1.53401602757837, - "a7": 122.111818963632, - "L1": 1.31977760671674, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.092436676892, - "bs": 28.0, - "a2": 108.101655247683, - "a5": 120.110881493037, - "sidechain_LEU": null, - "chainIndex": 966, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.053707869602 - } -}, -{ - "pk": 2247, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.229334684386, - "psi": 132.396157846538, - "oldID": "764", - "bg": 41.98, - "sidechain_CYS": 38, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.0021723347325, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2249, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 2245, - "terminal_flag": false, - "phi": -26.5910724266657, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.013569276987, - "chi2": null, - "chi3": null, - "chi1": 176.769814603634, - "chi4": null, - "chi5": null, - "a1": 122.160512492263, - "L4": 1.57222496461511, - "L5": 1.22074343446696, - "L2": 1.44796734203223, - "L3": 1.51282723712644, - "a7": 121.44652539441, - "L1": 1.30994790432037, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 119.169696730525, - "bs": 42.0, - "a2": 105.993094283622, - "a5": 120.317692864045, - "sidechain_LEU": null, - "chainIndex": 763, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.29120957409 - } -}, -{ - "pk": 2248, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.621929499311, - "psi": -21.0306398748555, - "oldID": "968", - "bg": 25.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9105359113897, - "sidechain_PHE": null, - "sidechain_LYS": 158, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2250, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2246, - "terminal_flag": false, - "phi": -89.5877815664963, - "chainID": "A", - "sidechain_GLN": null, - "ome": -175.28855809195, - "chi2": -53.8229473845948, - "chi3": 177.600720088045, - "chi1": -67.8663267314202, - "chi4": -149.877692052547, - "chi5": null, - "a1": 120.426324602497, - "L4": 1.51712828573768, - "L5": 1.24105610251486, - "L2": 1.46598973695311, - "L3": 1.52667598409231, - "a7": 123.303294490491, - "L1": 1.32180523118976, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 116.154337720372, - "bs": 27.0, - "a2": 110.07039266587, - "a5": 120.072666490819, - "sidechain_LEU": null, - "chainIndex": 967, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.826290753135 - } -}, -{ - "pk": 2249, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.226099393938, - "psi": -42.4958681039073, - "oldID": "765", - "bg": 42.31, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9871722818085, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 153, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2251, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 2247, - "terminal_flag": false, - "phi": -74.7331211288674, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.890581891334, - "chi2": null, - "chi3": null, - "chi1": 170.232597146036, - "chi4": null, - "chi5": null, - "a1": 123.227132454229, - "L4": 1.53873875677876, - "L5": 1.24143769192618, - "L2": 1.47918142495636, - "L3": 1.55392551907177, - "a7": 122.652535613968, - "L1": 1.34151353896493, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.502882234578, - "bs": 41.0, - "a2": 112.587659784153, - "a5": 121.091770304552, - "sidechain_LEU": null, - "chainIndex": 764, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.705899402398 - } -}, -{ - "pk": 2250, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.594314238468, - "psi": 123.382962215769, - "oldID": "969", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1500744101249, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2252, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 2248, - "terminal_flag": false, - "phi": -157.480813579865, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.358132752043, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.288563332493, - "L4": 1.52669157996933, - "L5": 1.23653510646205, - "L2": 1.45461245290593, - "L3": 1.50412678185614, - "a7": 123.033133008783, - "L1": 1.32826921355957, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.33194725265, - "bs": 21.0, - "a2": 109.286794433044, - "a5": 120.367981945752, - "sidechain_LEU": null, - "chainIndex": 968, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.246553349512 - } -}, -{ - "pk": 2251, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.626648876699, - "psi": -177.057033608345, - "oldID": "766", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2253, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2249, - "terminal_flag": false, - "phi": 115.23311611269, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.154959720597, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.349943499885, - "L4": 1.51002442377673, - "L5": 1.23020258396635, - "L2": 1.43986433259237, - "L3": null, - "a7": 123.062948977256, - "L1": 1.32959010691444, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 118.007752922445, - "bs": 0.0, - "a2": null, - "a5": 122.305875634993, - "sidechain_LEU": null, - "chainIndex": 765, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2252, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.022354398762, - "psi": 157.542238384958, - "oldID": "970", - "bg": 16.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.55518965973, - "sidechain_PHE": 81, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2254, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2250, - "terminal_flag": false, - "phi": -159.948596339695, - "chainID": "A", - "sidechain_GLN": null, - "ome": -172.076995352656, - "chi2": -88.1575780181232, - "chi3": null, - "chi1": 53.4417085673737, - "chi4": null, - "chi5": null, - "a1": 122.339999038462, - "L4": 1.52924669375214, - "L5": 1.23259919054946, - "L2": 1.46947662260184, - "L3": 1.54067966553962, - "a7": 122.316461813874, - "L1": 1.32985104510625, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.270516477587, - "bs": 16.0, - "a2": 112.215265319337, - "a5": 120.657228755476, - "sidechain_LEU": null, - "chainIndex": 969, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.455478697874 - } -}, -{ - "pk": 2253, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.036674924121, - "psi": 125.352407227386, - "oldID": "767", - "bg": 32.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.1179092457439, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2255, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2251, - "terminal_flag": false, - "phi": -80.6521774114607, - "chainID": "A", - "sidechain_GLN": 85, - "ome": 178.189038117325, - "chi2": 72.7869129722132, - "chi3": 55.0028645756454, - "chi1": 167.624895821711, - "chi4": null, - "chi5": null, - "a1": 121.323895308984, - "L4": 1.52269924057137, - "L5": 1.22859354934746, - "L2": 1.44430679237336, - "L3": 1.51904491398015, - "a7": 123.898824651588, - "L1": 1.325688178887, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.195625768549, - "bs": 32.0, - "a2": 109.761003691995, - "a5": 120.064493743047, - "sidechain_LEU": null, - "chainIndex": 766, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.821930731788 - } -}, -{ - "pk": 2254, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 115.32681125712, - "psi": 138.537258820736, - "oldID": "971", - "bg": 18.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.325243515397, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 59, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2256, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2252, - "terminal_flag": false, - "phi": -91.778425082403, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.017689432054, - "chi2": -53.0846500639801, - "chi3": -77.7837515588651, - "chi1": -52.1975285703299, - "chi4": null, - "chi5": null, - "a1": 120.967269663664, - "L4": 1.51974902795896, - "L5": 1.23181354394021, - "L2": 1.44261648658385, - "L3": 1.54514283466242, - "a7": 123.341220850521, - "L1": 1.32704734300435, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.487095467126, - "bs": 17.0, - "a2": 109.623981369991, - "a5": 121.32066742069, - "sidechain_LEU": null, - "chainIndex": 970, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.254225399628 - } -}, -{ - "pk": 2255, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.633092257816, - "psi": 151.695604788311, - "oldID": "768", - "bg": 30.39, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.8989518839768, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2257, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2253, - "terminal_flag": false, - "phi": -79.5544995228134, - "chainID": "A", - "sidechain_GLN": 86, - "ome": 178.34853040505, - "chi2": -41.553613402271, - "chi3": 113.186036331926, - "chi1": -73.8600929292381, - "chi4": null, - "chi5": null, - "a1": 123.227900023843, - "L4": 1.51525235983824, - "L5": 1.22599249034934, - "L2": 1.45848421355006, - "L3": 1.53109826494823, - "a7": 121.56908341023, - "L1": 1.33200413121103, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.889410640258, - "bs": 29.0, - "a2": 110.925096416418, - "a5": 120.795133240364, - "sidechain_LEU": null, - "chainIndex": 767, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.02482808008 - } -}, -{ - "pk": 2256, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 113.631620913355, - "psi": 174.691079411197, - "oldID": "972", - "bg": 14.68, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.1890298294056, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 154, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2258, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2254, - "terminal_flag": false, - "phi": -149.602756947635, - "chainID": "A", - "sidechain_GLN": null, - "ome": 165.890880420885, - "chi2": null, - "chi3": null, - "chi1": -58.9242571154376, - "chi4": null, - "chi5": null, - "a1": 122.410943010585, - "L4": 1.4989571884444, - "L5": 1.24700855010333, - "L2": 1.44915168979135, - "L3": 1.53003980274073, - "a7": 123.844721978472, - "L1": 1.32652445897323, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.241465728558, - "bs": 14.0, - "a2": 112.055334049371, - "a5": 122.522033857918, - "sidechain_LEU": null, - "chainIndex": 971, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 101.238201868617 - } -}, -{ - "pk": 2257, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.949720579794, - "psi": 156.040140560528, - "oldID": "769", - "bg": 31.86, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.1294104900575, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2259, - "sidechain_SER": 109, - "bm": 26.0, - "xpr": false, - "prev": 2255, - "terminal_flag": false, - "phi": -152.544249021469, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.693785013261, - "chi2": null, - "chi3": null, - "chi1": 115.114490844228, - "chi4": null, - "chi5": null, - "a1": 116.769203924313, - "L4": 1.50506093580599, - "L5": 1.21703660782066, - "L2": 1.43626008182702, - "L3": 1.52767301226436, - "a7": 122.70191960288, - "L1": 1.31483676785357, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.147324979595, - "bs": 30.0, - "a2": 110.212689197375, - "a5": 121.187562075401, - "sidechain_LEU": null, - "chainIndex": 768, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.663479854953 - } -}, -{ - "pk": 2258, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 101, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.405168980668, - "psi": 155.581703148502, - "oldID": "973", - "bg": 16.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1474888240192, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2260, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2256, - "terminal_flag": false, - "phi": -114.856449573963, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.55645844395, - "chi2": 17.1399532210209, - "chi3": null, - "chi1": -163.891215399973, - "chi4": null, - "chi5": null, - "a1": 121.56481099475, - "L4": 1.53262342401437, - "L5": 1.24819310000737, - "L2": 1.44413633135855, - "L3": 1.52286755795588, - "a7": 122.673016489346, - "L1": 1.32689986159831, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.573075502597, - "bs": 16.0, - "a2": 111.826803943333, - "a5": 120.85886646924, - "sidechain_LEU": null, - "chainIndex": 972, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.054489678469 - } -}, -{ - "pk": 2259, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.411861817423, - "psi": 116.712324313162, - "oldID": "770", - "bg": 26.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0518193667561, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 155, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2261, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2257, - "terminal_flag": false, - "phi": -144.289525552042, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.808092104971, - "chi2": null, - "chi3": null, - "chi1": 173.011234328938, - "chi4": null, - "chi5": null, - "a1": 121.747765050148, - "L4": 1.50689094681234, - "L5": 1.23016546641266, - "L2": 1.45037696922124, - "L3": 1.54440331539605, - "a7": 124.066792395248, - "L1": 1.32041459310016, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 105.302203871291, - "bs": 26.0, - "a2": 112.225260400806, - "a5": 120.504625470847, - "sidechain_LEU": null, - "chainIndex": 769, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.568134447332 - } -}, -{ - "pk": 2260, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 117.74073498685, - "psi": 130.132270092189, - "oldID": "974", - "bg": 17.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3218362438917, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 156, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2263, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2258, - "terminal_flag": false, - "phi": -127.314552748226, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.737622051773, - "chi2": null, - "chi3": null, - "chi1": 175.896731872175, - "chi4": null, - "chi5": null, - "a1": 120.870512135302, - "L4": 1.50548573166509, - "L5": 1.20813794529361, - "L2": 1.45475035218478, - "L3": 1.52565073999231, - "a7": 122.336313926032, - "L1": 1.32867331981023, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.948495923811, - "bs": 17.0, - "a2": 112.747272243328, - "a5": 119.918217774462, - "sidechain_LEU": null, - "chainIndex": 973, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.534933655957 - } -}, -{ - "pk": 2261, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.779155833677, - "psi": 42.3238624773729, - "oldID": "771", - "bg": 46.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.102841181585, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2262, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 2259, - "terminal_flag": false, - "phi": 66.5419756315769, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.776463014933, - "chi2": 176.808183242829, - "chi3": 55.6974377204531, - "chi1": -66.8963902821959, - "chi4": null, - "chi5": null, - "a1": 123.159497184063, - "L4": 1.5307747210868, - "L5": 1.23450220814793, - "L2": 1.46219612829035, - "L3": 1.53959683905784, - "a7": 123.388534226209, - "L1": 1.33090708003412, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 156, - "omep": null, - "ss": "T", - "a3": 109.513167622468, - "bs": 49.0, - "a2": 110.93293055623, - "a5": 120.792709422342, - "sidechain_LEU": null, - "chainIndex": 770, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.275929171589 - } -}, -{ - "pk": 2262, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.113503670273, - "psi": 16.1085832092048, - "oldID": "772", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2264, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2261, - "terminal_flag": false, - "phi": 65.3784521228388, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.965585254997, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.25278365114, - "L4": 1.51305445686358, - "L5": 1.22315295694427, - "L2": 1.45475764938245, - "L3": null, - "a7": 121.290143070403, - "L1": 1.33222237732808, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 119.259567074238, - "bs": 0.0, - "a2": null, - "a5": 120.596351754067, - "sidechain_LEU": null, - "chainIndex": 771, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2263, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.619756618889, - "psi": 143.516128510887, - "oldID": "975", - "bg": 18.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.4223241142239, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 121, - "sidechain_TRP": null, - "next": 2265, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2260, - "terminal_flag": false, - "phi": -139.942479992332, - "chainID": "A", - "sidechain_GLN": null, - "ome": 174.856966724344, - "chi2": null, - "chi3": null, - "chi1": -57.1780448224961, - "chi4": null, - "chi5": null, - "a1": 120.72632552507, - "L4": 1.52381928587862, - "L5": 1.23128283584525, - "L2": 1.44390938869131, - "L3": 1.55589535207863, - "a7": 122.878187010296, - "L1": 1.32487257822171, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.024505870501, - "bs": 18.0, - "a2": 108.354072218696, - "a5": 120.499433990564, - "sidechain_LEU": null, - "chainIndex": 974, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.954142579534 - } -}, -{ - "pk": 2264, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.675879685633, - "psi": 171.00761142448, - "oldID": "773", - "bg": 37.04, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.984003235109, - "sidechain_PHE": null, - "sidechain_LYS": 159, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2266, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2262, - "terminal_flag": false, - "phi": -134.451848498448, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.252844328199, - "chi2": 171.62867876684, - "chi3": 164.939980611592, - "chi1": -49.2321771141103, - "chi4": -177.313492327635, - "chi5": null, - "a1": 119.063178354072, - "L4": 1.50322350855475, - "L5": 1.24416352123054, - "L2": 1.44712402961769, - "L3": 1.51565429668633, - "a7": 123.312031343984, - "L1": 1.31659168047614, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 106.7992084485, - "bs": 40.0, - "a2": 110.107157192781, - "a5": 121.011036698393, - "sidechain_LEU": null, - "chainIndex": 772, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.931948794295 - } -}, -{ - "pk": 2265, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": 116.832182704288, - "psi": 131.733449359207, - "oldID": "976", - "bg": 18.74, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.474352737314, - "sidechain_PHE": null, - "sidechain_LYS": 160, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2267, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2263, - "terminal_flag": false, - "phi": -63.0221799840441, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.969530327215, - "chi2": 170.606548204596, - "chi3": -175.615784985609, - "chi1": 173.929147158249, - "chi4": -163.607894488144, - "chi5": null, - "a1": 120.272959465478, - "L4": 1.5152060638802, - "L5": 1.22069908395635, - "L2": 1.45160135551193, - "L3": 1.52140178856983, - "a7": 122.523008242721, - "L1": 1.32622864758006, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.196404010555, - "bs": 19.0, - "a2": 110.670642504722, - "a5": 120.643259373186, - "sidechain_LEU": null, - "chainIndex": 975, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.530859902485 - } -}, -{ - "pk": 2266, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.448450588664, - "psi": 162.578606757214, - "oldID": "774", - "bg": 36.79, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1417852424788, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2268, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 2264, - "terminal_flag": false, - "phi": -72.4247667240349, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.397446326203, - "chi2": -139.469403935794, - "chi3": -50.761913206316, - "chi1": -18.029979674765, - "chi4": -86.6798660821463, - "chi5": 0.410752785082292, - "a1": 118.666093551826, - "L4": 1.53650100939744, - "L5": 1.2427625142758, - "L2": 1.43987777297974, - "L3": 1.53244288405443, - "a7": 123.17140103275, - "L1": 1.32465090188501, - "sidechain_ARG": 108, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 104.17784960983, - "bs": 37.0, - "a2": 111.765201541486, - "a5": 120.336324383221, - "sidechain_LEU": null, - "chainIndex": 773, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.915910558823 - } -}, -{ - "pk": 2267, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HA", - "sidechain_ASP": null, - "a6": null, - "psi": null, - "oldID": "977", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2594629339457, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": null, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 2265, - "terminal_flag": true, - "phi": -73.7674627159622, - "chainID": "A", - "sidechain_GLN": null, - "ome": null, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.87863716097, - "L4": 1.53276591330027, - "L5": 1.23977177670233, - "L2": 1.45252596729271, - "L3": 1.51048681541958, - "a7": null, - "L1": 1.32514855754285, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.505853904188, - "bs": 21.0, - "a2": 109.977782440062, - "a5": 122.354987028922, - "sidechain_LEU": null, - "chainIndex": 976, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.172170426639 - } -}, -{ - "pk": 2268, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.171569577323, - "psi": 130.139044688423, - "oldID": "775", - "bg": 25.3, - "sidechain_CYS": null, - "sidechain_ILE": 131, - "protein": "1TWF", - "zeta": 35.1409632878973, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2271, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2266, - "terminal_flag": false, - "phi": -46.4284229157895, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.750002249757, - "chi2": -53.8486378914707, - "chi3": null, - "chi1": -57.3212912172077, - "chi4": null, - "chi5": null, - "a1": 122.674222660009, - "L4": 1.51452229149164, - "L5": 1.23173705727849, - "L2": 1.45812094360033, - "L3": 1.54382230535226, - "a7": 123.001853917258, - "L1": 1.33424899499119, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.660460018106, - "bs": 27.0, - "a2": 111.911844070514, - "a5": 120.796016404296, - "sidechain_LEU": null, - "chainIndex": 774, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.877227698834 - } -}, -{ - "pk": 2269, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.917500521975, - "psi": 154.143503436727, - "oldID": "1", - "bg": 23.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.454919912151, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2270, - "sidechain_SER": 110, - "bm": 19.0, - "xpr": false, - "prev": null, - "terminal_flag": false, - "phi": null, - "chainID": "B", - "sidechain_GLN": null, - "ome": -171.898549852214, - "chi2": null, - "chi3": null, - "chi1": 60.9038008901776, - "chi4": null, - "chi5": null, - "a1": null, - "L4": 1.52665747673477, - "L5": 1.2472808971209, - "L2": 1.4851625490462, - "L3": 1.51469584777344, - "a7": 123.991853715095, - "L1": null, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.186300043558, - "bs": 22.0, - "a2": 110.961059077887, - "a5": 121.073126124429, - "sidechain_LEU": null, - "chainIndex": 1, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.869237271077 - } -}, -{ - "pk": 2270, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.321911539643, - "psi": 165.65145648307, - "oldID": "2", - "bg": 20.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.135646313084, - "sidechain_PHE": null, - "sidechain_LYS": 161, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2272, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2269, - "terminal_flag": false, - "phi": -101.938957467387, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.192942975541, - "chi2": -66.4252725129784, - "chi3": -165.252819730187, - "chi1": -53.0753307167148, - "chi4": -170.906181582625, - "chi5": null, - "a1": 122.936975292303, - "L4": 1.51463203186797, - "L5": 1.22223280722881, - "L2": 1.4446622918356, - "L3": 1.53985713277252, - "a7": 123.880943128541, - "L1": 1.32857765662903, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 115.861873434392, - "bs": 22.0, - "a2": 109.894960047511, - "a5": 121.782187375898, - "sidechain_LEU": null, - "chainIndex": 2, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.353711446559 - } -}, -{ - "pk": 2271, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.6502150272, - "psi": 154.875428805449, - "oldID": "776", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9858679579498, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2274, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2268, - "terminal_flag": false, - "phi": -82.9548150187172, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.933912885952, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.806831697812, - "L4": 1.52206866740408, - "L5": 1.22129213747835, - "L2": 1.46577193642212, - "L3": 1.50718676155653, - "a7": 121.222112676271, - "L1": 1.3263037149537, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 119.426977330683, - "bs": 25.0, - "a2": 108.281451159806, - "a5": 121.127408356569, - "sidechain_LEU": null, - "chainIndex": 775, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.384910912666 - } -}, -{ - "pk": 2272, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.817976679131, - "psi": 175.929604747551, - "oldID": "3", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2273, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2270, - "terminal_flag": false, - "phi": -156.286015868156, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.118176306068, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.15270203665, - "L4": 1.51160931756303, - "L5": 1.23297052026148, - "L2": 1.4403957642194, - "L3": null, - "a7": 124.196774764868, - "L1": 1.32937260166962, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.951768759097, - "bs": 0.0, - "a2": null, - "a5": 120.98063625345, - "sidechain_LEU": null, - "chainIndex": 3, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2273, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.895080416789, - "psi": 148.341007358329, - "oldID": "4", - "bg": 15.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.2901789583378, - "sidechain_PHE": 82, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2275, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2272, - "terminal_flag": false, - "phi": -135.929656480251, - "chainID": "B", - "sidechain_GLN": null, - "ome": 167.056439347014, - "chi2": 72.4382590831007, - "chi3": null, - "chi1": -68.1208061733599, - "chi4": null, - "chi5": null, - "a1": 123.917172329176, - "L4": 1.50979538597617, - "L5": 1.24556025776738, - "L2": 1.44692681553145, - "L3": 1.54724875478039, - "a7": 122.641974606625, - "L1": 1.32411860013762, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.262730015094, - "bs": 15.0, - "a2": 111.273280049931, - "a5": 121.452178274625, - "sidechain_LEU": null, - "chainIndex": 4, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 104.506079960573 - } -}, -{ - "pk": 2274, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.819846775401, - "psi": 83.2355549741377, - "oldID": "777", - "bg": 26.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8601778039406, - "sidechain_PHE": 83, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2276, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2271, - "terminal_flag": false, - "phi": -68.3723710996455, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.911843340715, - "chi2": -18.0410357555805, - "chi3": null, - "chi1": -70.233228696986, - "chi4": null, - "chi5": null, - "a1": 117.405630321267, - "L4": 1.53848932146227, - "L5": 1.22448793170521, - "L2": 1.46453129297475, - "L3": 1.52929191915812, - "a7": 122.324419766597, - "L1": 1.32347211746054, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.052515791351, - "bs": 26.0, - "a2": 111.197909308082, - "a5": 120.85537358224, - "sidechain_LEU": null, - "chainIndex": 776, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.368306458617 - } -}, -{ - "pk": 2275, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.978305247372, - "psi": 119.381669950111, - "oldID": "5", - "bg": 14.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4751836486147, - "sidechain_PHE": 84, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2277, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2273, - "terminal_flag": false, - "phi": -122.112803299762, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.768627560815, - "chi2": 47.6131679664961, - "chi3": null, - "chi1": 167.866183596271, - "chi4": null, - "chi5": null, - "a1": 120.589910833025, - "L4": 1.5332548309457, - "L5": 1.22184847532606, - "L2": 1.44193460005606, - "L3": 1.52432896984371, - "a7": 122.818692326112, - "L1": 1.3211854723402, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.1469939653, - "bs": 15.0, - "a2": 113.268409799107, - "a5": 120.184457508836, - "sidechain_LEU": null, - "chainIndex": 5, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.07292702776 - } -}, -{ - "pk": 2276, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.711345160473, - "psi": -28.7719957672224, - "oldID": "778", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2278, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 2274, - "terminal_flag": false, - "phi": -69.8993886648884, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.53440309544, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.444456454573, - "L4": 1.52722079216474, - "L5": 1.2413751818589, - "L2": 1.45980437619649, - "L3": null, - "a7": 121.770462858285, - "L1": 1.32886142001233, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.196164398998, - "bs": 0.0, - "a2": null, - "a5": 121.379156813606, - "sidechain_LEU": null, - "chainIndex": 777, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2277, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.649769779999, - "psi": 110.197753901304, - "oldID": "6", - "bg": 15.85, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3052591371155, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 157, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2279, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2275, - "terminal_flag": false, - "phi": -107.93034118381, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.621683556717, - "chi2": null, - "chi3": null, - "chi1": -172.641305934666, - "chi4": null, - "chi5": null, - "a1": 120.850797883622, - "L4": 1.52828790199268, - "L5": 1.23274754843554, - "L2": 1.45924434005289, - "L3": 1.53606863385097, - "a7": 122.053555154805, - "L1": 1.32725532078021, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.537771301791, - "bs": 14.0, - "a2": 110.934137742893, - "a5": 121.282106199379, - "sidechain_LEU": null, - "chainIndex": 6, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.961394022034 - } -}, -{ - "pk": 2278, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.729606693597, - "psi": 175.352268795417, - "oldID": "779", - "bg": 21.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3124551521291, - "sidechain_PHE": 85, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2280, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2276, - "terminal_flag": false, - "phi": -97.1464420158947, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.679906888485, - "chi2": -88.368620673686, - "chi3": null, - "chi1": -77.506827920213, - "chi4": null, - "chi5": null, - "a1": 119.317097274878, - "L4": 1.50165763039499, - "L5": 1.23983800931019, - "L2": 1.46332220578074, - "L3": 1.52699056396436, - "a7": 122.792500542014, - "L1": 1.33356135339683, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 97.495672591204, - "bs": 22.0, - "a2": 113.131958705164, - "a5": 119.47460531812, - "sidechain_LEU": null, - "chainIndex": 778, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.864781597659 - } -}, -{ - "pk": 2279, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 130, - "a6": 117.753718872917, - "psi": 94.6781430291458, - "oldID": "7", - "bg": 13.68, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8994505909963, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2281, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2277, - "terminal_flag": false, - "phi": -95.5396966643282, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.970910253489, - "chi2": -5.54724936661084, - "chi3": null, - "chi1": -177.247797029718, - "chi4": null, - "chi5": null, - "a1": 120.654498204493, - "L4": 1.51961053997636, - "L5": 1.2283202216825, - "L2": 1.44900153903083, - "L3": 1.52994680477745, - "a7": 122.994132818214, - "L1": 1.32613943730496, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.814188143374, - "bs": 14.0, - "a2": 109.347241956788, - "a5": 119.238529055672, - "sidechain_LEU": null, - "chainIndex": 7, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.208617289004 - } -}, -{ - "pk": 2280, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.105631007088, - "psi": 111.023770851468, - "oldID": "780", - "bg": 22.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.6683349865148, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 158, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2282, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2278, - "terminal_flag": false, - "phi": -69.6338964560956, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.402912027242, - "chi2": null, - "chi3": null, - "chi1": -172.468361157358, - "chi4": null, - "chi5": null, - "a1": 118.129070665626, - "L4": 1.54001493722712, - "L5": 1.22905442328593, - "L2": 1.45252342373851, - "L3": 1.52238226242102, - "a7": 123.207747304345, - "L1": 1.32415016003719, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.313569113294, - "bs": 22.0, - "a2": 111.635805892499, - "a5": 121.671276412445, - "sidechain_LEU": null, - "chainIndex": 779, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.395768632074 - } -}, -{ - "pk": 2281, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.851141631605, - "psi": -19.6309656308066, - "oldID": "8", - "bg": 15.45, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0399047747916, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 122, - "sidechain_TRP": null, - "next": 2283, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2279, - "terminal_flag": false, - "phi": -61.2840615560362, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.373816215489, - "chi2": null, - "chi3": null, - "chi1": 66.4264751106409, - "chi4": null, - "chi5": null, - "a1": 120.826075426021, - "L4": 1.52146247157399, - "L5": 1.24082057819706, - "L2": 1.47167412659956, - "L3": 1.54880973364025, - "a7": 121.636824846668, - "L1": 1.33989799242845, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.706442213308, - "bs": 15.0, - "a2": 112.532053593776, - "a5": 120.451315738672, - "sidechain_LEU": null, - "chainIndex": 8, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.167292003376 - } -}, -{ - "pk": 2282, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 131, - "a6": 116.584489977992, - "psi": 25.5741100112541, - "oldID": "781", - "bg": 35.49, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.2789025049631, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2284, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2280, - "terminal_flag": false, - "phi": 60.1735423857898, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.815131936405, - "chi2": -55.8787373367158, - "chi3": null, - "chi1": -52.08995688956, - "chi4": null, - "chi5": null, - "a1": 123.732549247186, - "L4": 1.51543761832106, - "L5": 1.23048310127196, - "L2": 1.45847245384147, - "L3": 1.53715430352181, - "a7": 122.642318104685, - "L1": 1.32872660286552, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.681585103952, - "bs": 35.0, - "a2": 111.317345326309, - "a5": 120.761606190999, - "sidechain_LEU": null, - "chainIndex": 780, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.339286509986 - } -}, -{ - "pk": 2283, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.373221546781, - "psi": -13.3395070042597, - "oldID": "9", - "bg": 15.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.486672367795, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 123, - "sidechain_TRP": null, - "next": 2285, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2281, - "terminal_flag": false, - "phi": -70.7510369264656, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.215437082262, - "chi2": null, - "chi3": null, - "chi1": 71.6934522311805, - "chi4": null, - "chi5": null, - "a1": 117.855747683147, - "L4": 1.53445888902538, - "L5": 1.21803924805046, - "L2": 1.45462515233883, - "L3": 1.54575624613359, - "a7": 122.676500731111, - "L1": 1.32687127110442, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 111.332865195019, - "bs": 14.0, - "a2": 113.50452776687, - "a5": 119.92590282766, - "sidechain_LEU": null, - "chainIndex": 9, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.428493853022 - } -}, -{ - "pk": 2284, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.070984811685, - "psi": 150.20434839783, - "oldID": "782", - "bg": 34.28, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.3321759102617, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2286, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2282, - "terminal_flag": false, - "phi": -158.194710242361, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.94183371316, - "chi2": 179.857376497784, - "chi3": 173.943639707669, - "chi1": 52.6465687176022, - "chi4": 159.266796304783, - "chi5": -0.114916783763595, - "a1": 120.233940677217, - "L4": 1.51227881050043, - "L5": 1.22866583566216, - "L2": 1.45495077097419, - "L3": 1.52807799041553, - "a7": 122.992971089188, - "L1": 1.3248553637043, - "sidechain_ARG": 109, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 111.288361903876, - "bs": 31.0, - "a2": 111.743581900883, - "a5": 120.913179795939, - "sidechain_LEU": null, - "chainIndex": 781, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.382204123252 - } -}, -{ - "pk": 2285, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.228606108553, - "psi": -2.76337009870364, - "oldID": "10", - "bg": 14.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8792445577132, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2287, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2283, - "terminal_flag": false, - "phi": -104.775632687133, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.937265748522, - "chi2": -177.596214613255, - "chi3": 67.9281093415344, - "chi1": -57.8257193432847, - "chi4": 94.3782382432456, - "chi5": -0.801506834036977, - "a1": 120.125777804217, - "L4": 1.53339033467947, - "L5": 1.22994571493652, - "L2": 1.46126237107433, - "L3": 1.53420660457219, - "a7": 122.274005481446, - "L1": 1.3296946377133, - "sidechain_ARG": 110, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 113.957348771477, - "bs": 16.0, - "a2": 111.21092635729, - "a5": 119.49556225898, - "sidechain_LEU": null, - "chainIndex": 10, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.784667375179 - } -}, -{ - "pk": 2286, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.732846594049, - "psi": -29.579030584092, - "oldID": "783", - "bg": 34.36, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.9571733237433, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 124, - "sidechain_TRP": null, - "next": 2288, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2284, - "terminal_flag": false, - "phi": -78.7483205381494, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.269609539079, - "chi2": null, - "chi3": null, - "chi1": 53.9508924966634, - "chi4": null, - "chi5": null, - "a1": 120.554602362093, - "L4": 1.51673851456815, - "L5": 1.21670051131256, - "L2": 1.45803304239787, - "L3": 1.52085826386672, - "a7": 124.170835619447, - "L1": 1.3267290594058, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.241360976527, - "bs": 32.0, - "a2": 111.118016112486, - "a5": 120.087095406136, - "sidechain_LEU": null, - "chainIndex": 782, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.301741303069 - } -}, -{ - "pk": 2287, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.990050028862, - "psi": 131.665447196131, - "oldID": "11", - "bg": 18.69, - "sidechain_CYS": 39, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6473208376896, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2289, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2285, - "terminal_flag": false, - "phi": -78.4501050085177, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.404079259312, - "chi2": null, - "chi3": null, - "chi1": 174.848615074239, - "chi4": null, - "chi5": null, - "a1": 121.494673580456, - "L4": 1.52582442741013, - "L5": 1.22454124985894, - "L2": 1.47408969405737, - "L3": 1.54472554234237, - "a7": 121.739795246209, - "L1": 1.32535452384501, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.009134366198, - "bs": 17.0, - "a2": 109.150941295357, - "a5": 121.266211649784, - "sidechain_LEU": null, - "chainIndex": 11, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.539845296644 - } -}, -{ - "pk": 2288, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.440331008034, - "psi": 153.338587564246, - "oldID": "784", - "bg": 32.16, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2033517379781, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2290, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2286, - "terminal_flag": false, - "phi": -147.504891916542, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.672292919321, - "chi2": -178.465065393161, - "chi3": null, - "chi1": -76.2344841217555, - "chi4": null, - "chi5": null, - "a1": 124.373614499735, - "L4": 1.52414430895414, - "L5": 1.24027755010052, - "L2": 1.45562777085252, - "L3": 1.52140019787209, - "a7": 122.05177934223, - "L1": 1.32873728616304, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.838503538137, - "bs": 30.0, - "a2": 110.110298906013, - "a5": 120.496335091205, - "sidechain_LEU": 179, - "chainIndex": 783, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.518550907692 - } -}, -{ - "pk": 2289, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.447994096084, - "psi": 6.43581706900042, - "oldID": "12", - "bg": 15.8, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.7966561721597, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 125, - "sidechain_TRP": null, - "next": 2291, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2287, - "terminal_flag": false, - "phi": -103.09420506668, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.43696996592, - "chi2": null, - "chi3": null, - "chi1": 50.0954525600106, - "chi4": null, - "chi5": null, - "a1": 120.48645916978, - "L4": 1.52125911465302, - "L5": 1.22625944625518, - "L2": 1.45081618283424, - "L3": 1.52416593686536, - "a7": 123.444544871946, - "L1": 1.31923527361918, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.995703553327, - "bs": 16.0, - "a2": 110.227818596993, - "a5": 120.107105260137, - "sidechain_LEU": null, - "chainIndex": 12, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.484067813414 - } -}, -{ - "pk": 2290, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 129, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.371186793253, - "psi": -8.46876435985593, - "oldID": "785", - "bg": 35.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 37.6303388354181, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2292, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2288, - "terminal_flag": false, - "phi": -65.3583957179593, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.558484931518, - "chi2": -40.8243044904453, - "chi3": 30.2574359926291, - "chi1": 35.4611016763006, - "chi4": -8.32817007762901, - "chi5": null, - "a1": 120.997678935218, - "L4": 1.52176396833779, - "L5": 1.22986109095532, - "L2": 1.46720845857994, - "L3": 1.52288043105365, - "a7": 123.033640776755, - "L1": 1.34502383730765, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 13.1041345422027, - "ss": "T", - "a3": 111.625068976408, - "bs": 35.0, - "a2": 103.091611227156, - "a5": 120.584629486178, - "sidechain_LEU": null, - "chainIndex": 784, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.175618005377 - } -}, -{ - "pk": 2291, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.543841698068, - "psi": 37.8285577669477, - "oldID": "13", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2153283459195, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2293, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2289, - "terminal_flag": false, - "phi": 57.17655040263, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.199537143311, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.713747873291, - "L4": 1.54404473894975, - "L5": 1.23782752474471, - "L2": 1.45322041170914, - "L3": 1.54049317436025, - "a7": 122.846029472941, - "L1": 1.32823056208701, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.40210399024, - "bs": 12.0, - "a2": 110.946515493749, - "a5": 121.60763370897, - "sidechain_LEU": null, - "chainIndex": 13, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.657789049933 - } -}, -{ - "pk": 2292, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.502577253474, - "psi": -4.46912678204742, - "oldID": "786", - "bg": 29.84, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3706556451176, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2294, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2290, - "terminal_flag": false, - "phi": -86.4413219800391, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.874984878421, - "chi2": null, - "chi3": null, - "chi1": -44.3356742827179, - "chi4": null, - "chi5": null, - "a1": 121.368447293383, - "L4": 1.5103808856158, - "L5": 1.22665753021227, - "L2": 1.46105638670688, - "L3": 1.50658353154452, - "a7": 123.284547163342, - "L1": 1.33167595419688, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.17102432796, - "bs": 29.0, - "a2": 109.889408533011, - "a5": 120.184401556438, - "sidechain_LEU": null, - "chainIndex": 785, - "sidechain_HIS": 66, - "h_bond_energy": 0.0, - "a4": 107.875070551377 - } -}, -{ - "pk": 2293, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.787801186357, - "psi": -14.6684794500782, - "oldID": "14", - "bg": 18.6, - "sidechain_CYS": 40, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5823805064351, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2295, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2291, - "terminal_flag": false, - "phi": -67.1205518115617, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.984458905016, - "chi2": null, - "chi3": null, - "chi1": 77.9130465104407, - "chi4": null, - "chi5": null, - "a1": 121.543530677907, - "L4": 1.54022484673971, - "L5": 1.22792609183756, - "L2": 1.46781839314463, - "L3": 1.54180997579158, - "a7": 122.593086032025, - "L1": 1.33571829867013, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.736618712205, - "bs": 16.0, - "a2": 109.326265117561, - "a5": 121.610213272155, - "sidechain_LEU": null, - "chainIndex": 14, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.061815560201 - } -}, -{ - "pk": 2294, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.53371790111, - "psi": 166.791620870599, - "oldID": "787", - "bg": 31.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.5928120049676, - "sidechain_PHE": 86, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2296, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2292, - "terminal_flag": false, - "phi": -112.535803331288, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.547418078262, - "chi2": -79.6177711895049, - "chi3": null, - "chi1": -70.1870965755134, - "chi4": null, - "chi5": null, - "a1": 121.250263835626, - "L4": 1.50738900403942, - "L5": 1.23323103335085, - "L2": 1.44928117603104, - "L3": 1.52167620113094, - "a7": 123.707972340823, - "L1": 1.32728767806019, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.181019628095, - "bs": 29.0, - "a2": 111.341499145754, - "a5": 120.735761760306, - "sidechain_LEU": null, - "chainIndex": 786, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.737658158064 - } -}, -{ - "pk": 2295, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.098416354874, - "psi": 13.948793774081, - "oldID": "15", - "bg": 15.84, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 26.2626473335264, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2297, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2293, - "terminal_flag": false, - "phi": 61.8118603691763, - "chainID": "B", - "sidechain_GLN": null, - "ome": 172.057212068573, - "chi2": -164.192514016672, - "chi3": -80.5477050428128, - "chi1": -74.6704029666323, - "chi4": -156.915942570023, - "chi5": -0.880925393343235, - "a1": 122.75948370438, - "L4": 1.54601991196632, - "L5": 1.23384284993123, - "L2": 1.47161484474427, - "L3": 1.53049295650094, - "a7": 121.219962253201, - "L1": 1.32951626987518, - "sidechain_ARG": 111, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 115.973123623723, - "bs": 15.0, - "a2": 112.339124698093, - "a5": 122.658416446942, - "sidechain_LEU": null, - "chainIndex": 15, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 115.862492520336 - } -}, -{ - "pk": 2296, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.066878638849, - "psi": 155.067502506184, - "oldID": "788", - "bg": 38.39, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.204944525724, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2299, - "sidechain_SER": 111, - "bm": 36.0, - "xpr": false, - "prev": 2294, - "terminal_flag": false, - "phi": -90.463033117828, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.045137994373, - "chi2": null, - "chi3": null, - "chi1": -173.918153895411, - "chi4": null, - "chi5": null, - "a1": 121.85282285551, - "L4": 1.54505364741432, - "L5": 1.23031510556244, - "L2": 1.449722798436, - "L3": 1.52603277372862, - "a7": 121.450733786603, - "L1": 1.32778310123997, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.715870099146, - "bs": 38.0, - "a2": 108.569442290391, - "a5": 120.481857035204, - "sidechain_LEU": null, - "chainIndex": 787, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.078291101962 - } -}, -{ - "pk": 2297, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.349928905212, - "psi": -45.4843473606092, - "oldID": "16", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2298, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2295, - "terminal_flag": false, - "phi": -56.3429158593794, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.91246176253, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.270977500273, - "L4": 1.5455160028378, - "L5": 1.22963686878986, - "L2": 1.4577586479403, - "L3": null, - "a7": 122.875238838851, - "L1": 1.32262341974176, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.718932861346, - "bs": 0.0, - "a2": null, - "a5": 119.772254671283, - "sidechain_LEU": null, - "chainIndex": 16, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2298, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.324331135879, - "psi": -43.8574866100848, - "oldID": "17", - "bg": 19.13, - "sidechain_CYS": 41, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1313141689193, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2300, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2297, - "terminal_flag": false, - "phi": -61.8857507687632, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.521629775439, - "chi2": null, - "chi3": null, - "chi1": 53.6235897851128, - "chi4": null, - "chi5": null, - "a1": 121.989331476316, - "L4": 1.54203270977683, - "L5": 1.24588510538336, - "L2": 1.46562472383483, - "L3": 1.55270277158493, - "a7": 122.915847527501, - "L1": 1.3379460422042, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.045185435079, - "bs": 17.0, - "a2": 110.951354779691, - "a5": 120.75466780882, - "sidechain_LEU": null, - "chainIndex": 17, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.481354776138 - } -}, -{ - "pk": 2299, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.016102270784, - "psi": 148.196467434884, - "oldID": "789", - "bg": 37.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.637123919605, - "sidechain_PHE": null, - "sidechain_LYS": 162, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2301, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 2296, - "terminal_flag": false, - "phi": -61.2266691362449, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.158602862146, - "chi2": -166.369385109736, - "chi3": 176.262715862329, - "chi1": -60.6650863662447, - "chi4": -176.402310441283, - "chi5": null, - "a1": 120.157741088815, - "L4": 1.52898920417785, - "L5": 1.23184800231032, - "L2": 1.46264230268309, - "L3": 1.53141013690047, - "a7": 122.932095129626, - "L1": 1.33067701291353, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.959229655508, - "bs": 38.0, - "a2": 110.448526308851, - "a5": 121.035594405853, - "sidechain_LEU": null, - "chainIndex": 788, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.865748824728 - } -}, -{ - "pk": 2300, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.060001818501, - "psi": -49.7895018221324, - "oldID": "18", - "bg": 14.91, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.118324660796, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2302, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2298, - "terminal_flag": false, - "phi": -58.8195634589628, - "chainID": "B", - "sidechain_GLN": 87, - "ome": 177.642797655763, - "chi2": 171.262699407821, - "chi3": -48.4718992724035, - "chi1": -179.50775367479, - "chi4": null, - "chi5": null, - "a1": 121.587911664579, - "L4": 1.51156340596831, - "L5": 1.23030036955677, - "L2": 1.46822130966612, - "L3": 1.53830301331067, - "a7": 123.629933593553, - "L1": 1.32638249588831, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.156563754861, - "bs": 15.0, - "a2": 111.07334881456, - "a5": 120.287743998021, - "sidechain_LEU": null, - "chainIndex": 18, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.401507231648 - } -}, -{ - "pk": 2301, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 132, - "a6": 117.00864064838, - "psi": 30.9804290691435, - "oldID": "790", - "bg": 39.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.7869514491447, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2303, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 2299, - "terminal_flag": false, - "phi": 63.0195646283555, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.084053710108, - "chi2": -23.1756219234746, - "chi3": null, - "chi1": -63.4824834464172, - "chi4": null, - "chi5": null, - "a1": 122.298752720094, - "L4": 1.53405021997571, - "L5": 1.23278141225313, - "L2": 1.45432238351504, - "L3": 1.52305883614092, - "a7": 122.547698721659, - "L1": 1.32902600054351, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.777918186053, - "bs": 40.0, - "a2": 108.842758505213, - "a5": 120.426565736827, - "sidechain_LEU": null, - "chainIndex": 789, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.210075408168 - } -}, -{ - "pk": 2302, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.634621924626, - "psi": -43.8735940777478, - "oldID": "19", - "bg": 14.07, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2977202394695, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 159, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2304, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2300, - "terminal_flag": false, - "phi": -67.0932196315109, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.015749845841, - "chi2": null, - "chi3": null, - "chi1": 176.664184485925, - "chi4": null, - "chi5": null, - "a1": 121.998235944342, - "L4": 1.53573670009966, - "L5": 1.23207242282911, - "L2": 1.46624959334787, - "L3": 1.53347168598568, - "a7": 122.381009053465, - "L1": 1.32759435660193, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.735122399451, - "bs": 14.0, - "a2": 110.897335647657, - "a5": 120.889425335435, - "sidechain_LEU": null, - "chainIndex": 19, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.987136397218 - } -}, -{ - "pk": 2303, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 133, - "a6": 117.871223922019, - "psi": 100.834596283021, - "oldID": "791", - "bg": 36.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3751237148293, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2305, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 2301, - "terminal_flag": false, - "phi": -90.7759395570608, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.297159087688, - "chi2": -10.311693619851, - "chi3": null, - "chi1": -178.786446178205, - "chi4": null, - "chi5": null, - "a1": 122.4909146698, - "L4": 1.54185194425725, - "L5": 1.22694346283087, - "L2": 1.46516810085735, - "L3": 1.53451020607385, - "a7": 121.962092982855, - "L1": 1.33207797762827, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.61941255304, - "bs": 37.0, - "a2": 108.936992120125, - "a5": 120.16650567923, - "sidechain_LEU": null, - "chainIndex": 790, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.23558042927 - } -}, -{ - "pk": 2304, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.57555793064, - "psi": -40.3373355842667, - "oldID": "20", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5606753935711, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2306, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2302, - "terminal_flag": false, - "phi": -59.8290990966604, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.147059733386, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.972673180246, - "L4": 1.52633581513752, - "L5": 1.23353963985853, - "L2": 1.45526384604743, - "L3": 1.5587578657822, - "a7": 123.941849692385, - "L1": 1.31728903672265, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.599435452585, - "bs": 14.0, - "a2": 111.333431096854, - "a5": 119.481297813627, - "sidechain_LEU": null, - "chainIndex": 20, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.246135733873 - } -}, -{ - "pk": 2305, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.622496290707, - "psi": 19.0285798225938, - "oldID": "792", - "bg": 35.03, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1285440390429, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2308, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2303, - "terminal_flag": false, - "phi": -95.0661022285427, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.897856627822, - "chi2": 73.2869513773579, - "chi3": null, - "chi1": -69.0380753871222, - "chi4": null, - "chi5": null, - "a1": 121.043784248562, - "L4": 1.51965611005174, - "L5": 1.2259652548386, - "L2": 1.46811146949761, - "L3": 1.52411512045769, - "a7": 122.522401874435, - "L1": 1.33465463455347, - "sidechain_ARG": null, - "sidechain_TYR": 70, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.825731209456, - "bs": 33.0, - "a2": 110.031477460983, - "a5": 120.848775095211, - "sidechain_LEU": null, - "chainIndex": 791, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.618414533347 - } -}, -{ - "pk": 2306, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.867961916811, - "psi": -47.2318195353499, - "oldID": "21", - "bg": 16.32, - "sidechain_CYS": 42, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.455383558744, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2307, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2304, - "terminal_flag": false, - "phi": -59.8583116429489, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.924616013816, - "chi2": null, - "chi3": null, - "chi1": -176.62801288234, - "chi4": null, - "chi5": null, - "a1": 121.862296153467, - "L4": 1.53232031175423, - "L5": 1.23544153539246, - "L2": 1.46285683856198, - "L3": 1.53785062527499, - "a7": 121.704460210434, - "L1": 1.33294288134148, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.245909891702, - "bs": 15.0, - "a2": 111.033690899746, - "a5": 121.417710206694, - "sidechain_LEU": null, - "chainIndex": 21, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.264682883344 - } -}, -{ - "pk": 2307, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.280958859154, - "psi": -42.2333402526096, - "oldID": "22", - "bg": 16.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6906259358855, - "sidechain_PHE": null, - "sidechain_LYS": 163, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2309, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2306, - "terminal_flag": false, - "phi": -63.6197268391913, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.181839770962, - "chi2": -146.23373673252, - "chi3": 169.472984854327, - "chi1": -64.3483533493338, - "chi4": -169.687513771128, - "chi5": null, - "a1": 119.853238594711, - "L4": 1.53487764743437, - "L5": 1.24237659281336, - "L2": 1.45725463870688, - "L3": 1.54923710940438, - "a7": 122.736010649743, - "L1": 1.32695805810744, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.884231880007, - "bs": 15.0, - "a2": 111.92691018391, - "a5": 120.979767270502, - "sidechain_LEU": null, - "chainIndex": 22, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.577501875943 - } -}, -{ - "pk": 2308, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.668427419639, - "psi": 168.233420404409, - "oldID": "793", - "bg": 37.58, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3537211676039, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2310, - "sidechain_SER": 112, - "bm": 35.0, - "xpr": false, - "prev": 2305, - "terminal_flag": false, - "phi": -70.0240726613362, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.660745417079, - "chi2": null, - "chi3": null, - "chi1": 72.0935169098969, - "chi4": null, - "chi5": null, - "a1": 120.914085981629, - "L4": 1.523302056814, - "L5": 1.23960311642873, - "L2": 1.45735239128606, - "L3": 1.52098213462256, - "a7": 121.83260005056, - "L1": 1.32583572915973, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.089901219908, - "bs": 36.0, - "a2": 109.712813184442, - "a5": 121.494986773519, - "sidechain_LEU": null, - "chainIndex": 792, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.216480555202 - } -}, -{ - "pk": 2309, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.150406603799, - "psi": -44.9661622417974, - "oldID": "23", - "bg": 13.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4488950104348, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2311, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2307, - "terminal_flag": false, - "phi": -61.5652044810402, - "chainID": "B", - "sidechain_GLN": 88, - "ome": -179.718576056585, - "chi2": -84.048529079224, - "chi3": 158.908469310648, - "chi1": -159.420005397669, - "chi4": null, - "chi5": null, - "a1": 121.436907935227, - "L4": 1.52358556668777, - "L5": 1.23684604263383, - "L2": 1.45661227288915, - "L3": 1.54952303844412, - "a7": 122.925834963603, - "L1": 1.33096702719424, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.381222538644, - "bs": 13.0, - "a2": 111.808612066967, - "a5": 119.921811460174, - "sidechain_LEU": null, - "chainIndex": 23, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.900128133761 - } -}, -{ - "pk": 2310, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 130, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.509205424205, - "psi": -32.8063508832762, - "oldID": "794", - "bg": 36.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.5081112802869, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2312, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 2308, - "terminal_flag": false, - "phi": -66.0948902485961, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.9184141126, - "chi2": -40.9346514504458, - "chi3": 42.5616924052073, - "chi1": 22.4734452778347, - "chi4": -29.4208737479148, - "chi5": null, - "a1": 118.314576572222, - "L4": 1.52371199404293, - "L5": 1.23262181711492, - "L2": 1.46738730770636, - "L3": 1.52896351712825, - "a7": 122.5291366532, - "L1": 1.33772910158522, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -17.2142834016046, - "ss": "T", - "a3": 115.973999580695, - "bs": 34.0, - "a2": 103.149136444466, - "a5": 119.960240028079, - "sidechain_LEU": null, - "chainIndex": 793, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.667573550314 - } -}, -{ - "pk": 2311, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.983987311342, - "psi": -44.640273604449, - "oldID": "24", - "bg": 13.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9082400436243, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 43, - "next": 2313, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2309, - "terminal_flag": false, - "phi": -66.2197284160531, - "chainID": "B", - "sidechain_GLN": null, - "ome": -175.361642073853, - "chi2": -111.600906759195, - "chi3": null, - "chi1": -177.402062459885, - "chi4": null, - "chi5": null, - "a1": 119.909400155725, - "L4": 1.52142234512471, - "L5": 1.22091756596529, - "L2": 1.4507507878044, - "L3": 1.52827375485343, - "a7": 122.430419963915, - "L1": 1.33112143801616, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.98768070729, - "bs": 14.0, - "a2": 113.167702559312, - "a5": 120.565911893207, - "sidechain_LEU": null, - "chainIndex": 24, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.855442042356 - } -}, -{ - "pk": 2312, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.984711130857, - "psi": -33.7684326005261, - "oldID": "795", - "bg": 50.96, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.982297656315, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2314, - "sidechain_SER": null, - "bm": 37.0, - "xpr": false, - "prev": 2310, - "terminal_flag": false, - "phi": -74.0019972810589, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.825400159093, - "chi2": 85.1873650562772, - "chi3": 38.7874714891652, - "chi1": -47.7762805726113, - "chi4": null, - "chi5": null, - "a1": 120.539483888379, - "L4": 1.52690582926126, - "L5": 1.22517736850389, - "L2": 1.46779024860032, - "L3": 1.53305905099967, - "a7": 123.037473565421, - "L1": 1.32924740412995, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 157, - "omep": null, - "ss": "T", - "a3": 108.508709329249, - "bs": 50.0, - "a2": 111.223377898287, - "a5": 121.975086864461, - "sidechain_LEU": null, - "chainIndex": 794, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.856076998382 - } -}, -{ - "pk": 2313, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.882850794637, - "psi": -7.17251019303092, - "oldID": "25", - "bg": 18.11, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.465884133163, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2315, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2311, - "terminal_flag": false, - "phi": -86.9327093837237, - "chainID": "B", - "sidechain_GLN": null, - "ome": -174.761471686949, - "chi2": null, - "chi3": null, - "chi1": -59.7501188506859, - "chi4": null, - "chi5": null, - "a1": 119.512048512522, - "L4": 1.52378565145068, - "L5": 1.23150812191825, - "L2": 1.45870901004174, - "L3": 1.5289836087894, - "a7": 122.309453306718, - "L1": 1.32129688970168, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.828122695269, - "bs": 17.0, - "a2": 109.491822189182, - "a5": 119.791991243434, - "sidechain_LEU": null, - "chainIndex": 25, - "sidechain_HIS": 67, - "h_bond_energy": 0.0, - "a4": 109.464217828744 - } -}, -{ - "pk": 2314, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.094765719623, - "psi": -46.3630580592053, - "oldID": "796", - "bg": 32.56, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5631120935507, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2317, - "sidechain_SER": 113, - "bm": 32.0, - "xpr": false, - "prev": 2312, - "terminal_flag": false, - "phi": -66.0628812531644, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.908220600069, - "chi2": null, - "chi3": null, - "chi1": 174.529619881205, - "chi4": null, - "chi5": null, - "a1": 121.810006594561, - "L4": 1.53359911546422, - "L5": 1.22940773383809, - "L2": 1.4435220887267, - "L3": 1.53011595844362, - "a7": 122.470567971611, - "L1": 1.32109537107863, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.202946787287, - "bs": 33.0, - "a2": 109.371356415479, - "a5": 119.426958367962, - "sidechain_LEU": null, - "chainIndex": 795, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.361665384418 - } -}, -{ - "pk": 2315, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.565198832092, - "psi": 31.9490269752896, - "oldID": "26", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2316, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2313, - "terminal_flag": false, - "phi": 71.4691096580049, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.89323187491, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.575738819645, - "L4": 1.52192777511953, - "L5": 1.22949351991606, - "L2": 1.44521201716355, - "L3": null, - "a7": 122.211442855726, - "L1": 1.33816156070956, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.290988703821, - "bs": 0.0, - "a2": null, - "a5": 120.202911135603, - "sidechain_LEU": null, - "chainIndex": 26, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2316, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 102, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.103392782872, - "psi": 135.721433292576, - "oldID": "27", - "bg": 16.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3288228706625, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2318, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2315, - "terminal_flag": false, - "phi": -83.8814819422855, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.883554102317, - "chi2": -25.7302269240116, - "chi3": null, - "chi1": -66.685341666902, - "chi4": null, - "chi5": null, - "a1": 119.125580358376, - "L4": 1.51213224938936, - "L5": 1.23208216856608, - "L2": 1.45258714115591, - "L3": 1.5410516890521, - "a7": 122.528248538845, - "L1": 1.33296614980697, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.927381980372, - "bs": 16.0, - "a2": 111.672675730103, - "a5": 120.336937454399, - "sidechain_LEU": null, - "chainIndex": 27, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.560382575773 - } -}, -{ - "pk": 2317, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.790456480133, - "psi": 40.6404448422169, - "oldID": "797", - "bg": 30.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 30.9088016609378, - "sidechain_PHE": null, - "sidechain_LYS": 164, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2319, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 2314, - "terminal_flag": false, - "phi": -102.694480741524, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.249002371028, - "chi2": 178.310457676058, - "chi3": 77.4494575840721, - "chi1": -57.7010827812419, - "chi4": 71.6964277128823, - "chi5": null, - "a1": 119.500713330172, - "L4": 1.53612530481744, - "L5": 1.23590239286153, - "L2": 1.4583464974664, - "L3": 1.5460078376956, - "a7": 122.501889373221, - "L1": 1.33799392730905, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 118.721869669585, - "bs": 31.0, - "a2": 111.029720928531, - "a5": 120.705902725822, - "sidechain_LEU": null, - "chainIndex": 796, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.763659015638 - } -}, -{ - "pk": 2318, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 131, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.696005624637, - "psi": 161.530786247907, - "oldID": "28", - "bg": 16.67, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.9760157179067, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2320, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2316, - "terminal_flag": false, - "phi": -73.6894268001862, - "chainID": "B", - "sidechain_GLN": null, - "ome": 170.328913496501, - "chi2": -42.5346850431959, - "chi3": 36.9250747476163, - "chi1": 30.9415448020842, - "chi4": -17.9882190297361, - "chi5": null, - "a1": 121.113171178452, - "L4": 1.52415347930997, - "L5": 1.23253729323816, - "L2": 1.4636590303347, - "L3": 1.5390857178376, - "a7": 123.891044644691, - "L1": 1.32187170518259, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -4.22362723774674, - "ss": "-", - "a3": 111.854663714418, - "bs": 16.0, - "a2": 103.061873446441, - "a5": 120.4122354084, - "sidechain_LEU": null, - "chainIndex": 28, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.033469034458 - } -}, -{ - "pk": 2319, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 119.656854809931, - "psi": 15.2251560251026, - "oldID": "798", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2321, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2317, - "terminal_flag": false, - "phi": 90.107081245672, - "chainID": "A", - "sidechain_GLN": null, - "ome": 176.141199354353, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.182520574378, - "L4": 1.51636104336866, - "L5": 1.23034054771502, - "L2": 1.45691092836737, - "L3": null, - "a7": 120.993369519535, - "L1": 1.33628365406086, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 125.090726116835, - "bs": 0.0, - "a2": null, - "a5": 119.34414543145, - "sidechain_LEU": null, - "chainIndex": 797, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2320, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.82890867813, - "psi": 156.903794555334, - "oldID": "29", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.397710869156, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2322, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2318, - "terminal_flag": false, - "phi": -71.4264291459386, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.708658647857, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.497591458307, - "L4": 1.52178716011754, - "L5": 1.24105254245458, - "L2": 1.45252518444015, - "L3": 1.54721234892257, - "a7": 123.219597737594, - "L1": 1.32972536782375, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 104.50136916157, - "bs": 15.0, - "a2": 109.579865172838, - "a5": 119.951449598036, - "sidechain_LEU": null, - "chainIndex": 29, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.574489857671 - } -}, -{ - "pk": 2321, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.598581588086, - "psi": 128.088607871382, - "oldID": "799", - "bg": 28.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.969394340245, - "sidechain_PHE": 87, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2323, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 2319, - "terminal_flag": false, - "phi": -80.2218862516851, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.21121620213, - "chi2": 67.6112333911757, - "chi3": null, - "chi1": 178.053206303935, - "chi4": null, - "chi5": null, - "a1": 116.722203585442, - "L4": 1.51638385252834, - "L5": 1.2220967669453, - "L2": 1.44851943779021, - "L3": 1.52208918805766, - "a7": 122.005008870237, - "L1": 1.32330603347096, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.783244259864, - "bs": 26.0, - "a2": 112.582034845476, - "a5": 120.380085666997, - "sidechain_LEU": null, - "chainIndex": 798, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.982330600828 - } -}, -{ - "pk": 2322, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.501479539785, - "psi": 161.520039402663, - "oldID": "30", - "bg": 15.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7012897123326, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 126, - "sidechain_TRP": null, - "next": 2324, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2320, - "terminal_flag": false, - "phi": -123.043125824349, - "chainID": "B", - "sidechain_GLN": null, - "ome": -174.058644622111, - "chi2": null, - "chi3": null, - "chi1": 60.5919214841561, - "chi4": null, - "chi5": null, - "a1": 122.199131489179, - "L4": 1.5360063356628, - "L5": 1.23726357340361, - "L2": 1.4618623841384, - "L3": 1.49673299074042, - "a7": 122.402012173956, - "L1": 1.33453241909148, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.059553885157, - "bs": 16.0, - "a2": 110.827056599284, - "a5": 120.096276829325, - "sidechain_LEU": null, - "chainIndex": 30, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.54954348885 - } -}, -{ - "pk": 2323, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.405618112403, - "psi": 104.604056623631, - "oldID": "800", - "bg": 26.72, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1604266242175, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 160, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2325, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2321, - "terminal_flag": false, - "phi": -101.328307081631, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.691756113173, - "chi2": null, - "chi3": null, - "chi1": 165.355124110317, - "chi4": null, - "chi5": null, - "a1": 118.511327852452, - "L4": 1.52231676226382, - "L5": 1.2409265775817, - "L2": 1.44602831915395, - "L3": 1.54138278804907, - "a7": 122.836284071371, - "L1": 1.31704320982035, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.940315064529, - "bs": 27.0, - "a2": 112.260878758028, - "a5": 121.721807226508, - "sidechain_LEU": null, - "chainIndex": 799, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.068054530711 - } -}, -{ - "pk": 2324, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 132, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.137346762515, - "psi": 130.50182121067, - "oldID": "31", - "bg": 21.79, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.4441427860906, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2326, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2322, - "terminal_flag": false, - "phi": -64.6633559240324, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.72585894287, - "chi2": 26.8361877611697, - "chi3": -28.2418483602026, - "chi1": -14.2883002370752, - "chi4": 20.1695316118286, - "chi5": null, - "a1": 121.423309924215, - "L4": 1.5203877317625, - "L5": 1.22738406178893, - "L2": 1.47461887136843, - "L3": 1.5428852998699, - "a7": 123.419253142343, - "L1": 1.32907548134747, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 5.41699142340143, - "ss": "-", - "a3": 113.253954930302, - "bs": 20.0, - "a2": 104.361192461007, - "a5": 120.443256815459, - "sidechain_LEU": null, - "chainIndex": 31, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.685233798772 - } -}, -{ - "pk": 2325, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.521302620453, - "psi": -42.8944153083345, - "oldID": "801", - "bg": 46.72, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3970824897086, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2328, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2323, - "terminal_flag": false, - "phi": -70.4031400169375, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.976871699268, - "chi2": 175.113857330078, - "chi3": 1.30108103632036, - "chi1": -177.323443721577, - "chi4": null, - "chi5": null, - "a1": 119.801555133084, - "L4": 1.52089082947201, - "L5": 1.2255951635875, - "L2": 1.44198759148876, - "L3": 1.5168932712891, - "a7": 122.80371592719, - "L1": 1.32334869187533, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 158, - "omep": null, - "ss": "-", - "a3": 111.289152012415, - "bs": 48.0, - "a2": 110.233873555673, - "a5": 120.646393828115, - "sidechain_LEU": null, - "chainIndex": 800, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.932530937298 - } -}, -{ - "pk": 2326, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.539864455622, - "psi": 162.145002054397, - "oldID": "32", - "bg": 16.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6839421244302, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 127, - "sidechain_TRP": null, - "next": 2327, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2324, - "terminal_flag": false, - "phi": -142.969881196705, - "chainID": "B", - "sidechain_GLN": null, - "ome": 173.883279070606, - "chi2": null, - "chi3": null, - "chi1": 59.3863321250054, - "chi4": null, - "chi5": null, - "a1": 121.163386385706, - "L4": 1.51282300820412, - "L5": 1.2315060435568, - "L2": 1.45560584414349, - "L3": 1.55415689446713, - "a7": 124.268925591812, - "L1": 1.32834751511483, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.742925372984, - "bs": 16.0, - "a2": 111.997625507466, - "a5": 121.181471850301, - "sidechain_LEU": null, - "chainIndex": 32, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.289540972114 - } -}, -{ - "pk": 2327, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.820735784355, - "psi": 160.624857774262, - "oldID": "33", - "bg": 22.58, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.1881655876177, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2330, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2326, - "terminal_flag": false, - "phi": -142.40659125502, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.129102572734, - "chi2": -176.006510867251, - "chi3": -8.94636837858187, - "chi1": 67.8813040698939, - "chi4": null, - "chi5": null, - "a1": 122.342620920995, - "L4": 1.53350612637973, - "L5": 1.23705130907523, - "L2": 1.44434597285818, - "L3": 1.53157820320842, - "a7": 121.544095924536, - "L1": 1.3261876640267, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 159, - "omep": null, - "ss": "-", - "a3": 106.303864268187, - "bs": 24.0, - "a2": 111.240420839033, - "a5": 121.491170583777, - "sidechain_LEU": null, - "chainIndex": 33, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.860702614986 - } -}, -{ - "pk": 2328, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 103, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.01575969614, - "psi": 161.338728087913, - "oldID": "802", - "bg": 32.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.06269654883, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2329, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2325, - "terminal_flag": false, - "phi": -64.9848977602919, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.164322764247, - "chi2": -82.1294417526315, - "chi3": null, - "chi1": -70.6346264866373, - "chi4": null, - "chi5": null, - "a1": 121.491592570159, - "L4": 1.52638450030594, - "L5": 1.22469924790736, - "L2": 1.45757937541106, - "L3": 1.51764655484892, - "a7": 122.773868966954, - "L1": 1.32457291006053, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 118.387882310907, - "bs": 33.0, - "a2": 108.682035413804, - "a5": 121.210313467122, - "sidechain_LEU": null, - "chainIndex": 801, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.40196329543 - } -}, -{ - "pk": 2329, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.851630375271, - "psi": -179.28118672987, - "oldID": "803", - "bg": 30.17, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1983400295515, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2332, - "sidechain_SER": 114, - "bm": 27.0, - "xpr": false, - "prev": 2328, - "terminal_flag": false, - "phi": -101.021608335298, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.105333434493, - "chi2": null, - "chi3": null, - "chi1": 63.1312994425652, - "chi4": null, - "chi5": null, - "a1": 121.107523221335, - "L4": 1.52806776392107, - "L5": 1.22525248404636, - "L2": 1.45271060333966, - "L3": 1.5343524900156, - "a7": 122.535868475799, - "L1": 1.33105852235149, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.205962867755, - "bs": 28.0, - "a2": 111.339832240046, - "a5": 119.584708204871, - "sidechain_LEU": null, - "chainIndex": 802, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.415088793983 - } -}, -{ - "pk": 2330, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 104, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.899737725106, - "psi": 114.014937213741, - "oldID": "34", - "bg": 14.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3419416667226, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2331, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2327, - "terminal_flag": false, - "phi": -90.5174678490897, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.079638061218, - "chi2": -49.8305243114996, - "chi3": null, - "chi1": -166.822858297768, - "chi4": null, - "chi5": null, - "a1": 118.120397014256, - "L4": 1.5221835260017, - "L5": 1.24046182753487, - "L2": 1.44945151920109, - "L3": 1.52690139902918, - "a7": 123.999691083246, - "L1": 1.31392589706273, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.501449862149, - "bs": 13.0, - "a2": 111.937364461384, - "a5": 120.097958571787, - "sidechain_LEU": null, - "chainIndex": 34, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.35072350149 - } -}, -{ - "pk": 2331, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.273233153019, - "psi": 20.0460013837831, - "oldID": "35", - "bg": 17.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4851153936277, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 128, - "sidechain_TRP": null, - "next": 2333, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2330, - "terminal_flag": false, - "phi": -107.110570240527, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.236885299096, - "chi2": null, - "chi3": null, - "chi1": 53.2405984265821, - "chi4": null, - "chi5": null, - "a1": 122.435977102053, - "L4": 1.51843372545811, - "L5": 1.22105673765837, - "L2": 1.45726565916127, - "L3": 1.53377025886237, - "a7": 123.713411496355, - "L1": 1.33350846693059, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.053520899166, - "bs": 16.0, - "a2": 110.238921877827, - "a5": 120.009036158478, - "sidechain_LEU": null, - "chainIndex": 35, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.351025145108 - } -}, -{ - "pk": 2332, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.230943158277, - "psi": -30.283341717534, - "oldID": "804", - "bg": 28.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1676178271911, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2335, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2329, - "terminal_flag": false, - "phi": -75.1703738470592, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.798836821408, - "chi2": -38.7635281273744, - "chi3": null, - "chi1": -78.4095346676374, - "chi4": null, - "chi5": null, - "a1": 120.640930004862, - "L4": 1.51145127692735, - "L5": 1.22368598366487, - "L2": 1.44370700802235, - "L3": 1.52263825288509, - "a7": 123.409941940447, - "L1": 1.3316446305686, - "sidechain_ARG": null, - "sidechain_TYR": 71, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.776182179712, - "bs": 28.0, - "a2": 109.748297410512, - "a5": 120.358446854045, - "sidechain_LEU": null, - "chainIndex": 803, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.62660774064 - } -}, -{ - "pk": 2333, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.937390300401, - "psi": 13.5241648402202, - "oldID": "36", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2334, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2331, - "terminal_flag": false, - "phi": 111.961440306861, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.385842813978, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.995258081081, - "L4": 1.52974026001467, - "L5": 1.22714947317512, - "L2": 1.45337817803008, - "L3": null, - "a7": 122.665611840178, - "L1": 1.33436438808542, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 114.560284198262, - "bs": 0.0, - "a2": null, - "a5": 120.383269677649, - "sidechain_LEU": null, - "chainIndex": 36, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2334, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.216654365634, - "psi": 155.698482183339, - "oldID": "37", - "bg": 17.06, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.7262689830257, - "sidechain_PHE": 88, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2336, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2333, - "terminal_flag": false, - "phi": -142.295118341137, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.716333222386, - "chi2": -87.5971554991795, - "chi3": null, - "chi1": -48.6199021340457, - "chi4": null, - "chi5": null, - "a1": 122.671210119435, - "L4": 1.5031436904679, - "L5": 1.23916086877103, - "L2": 1.4649386790546, - "L3": 1.51944385936294, - "a7": 123.530540171844, - "L1": 1.32538091072138, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.280848379531, - "bs": 18.0, - "a2": 109.720785050306, - "a5": 121.143751023081, - "sidechain_LEU": null, - "chainIndex": 37, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.59446139111 - } -}, -{ - "pk": 2335, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.395004170247, - "psi": -44.7813676813468, - "oldID": "805", - "bg": 23.29, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.487693768137, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2339, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 2332, - "terminal_flag": false, - "phi": -65.266393632238, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.659074121912, - "chi2": 57.6152234386145, - "chi3": null, - "chi1": 168.6729478806, - "chi4": null, - "chi5": null, - "a1": 121.674660182789, - "L4": 1.5099509631199, - "L5": 1.22765531353744, - "L2": 1.44916176126622, - "L3": 1.52208383799447, - "a7": 123.63529322248, - "L1": 1.32636306860047, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 109.552924995241, - "bs": 24.0, - "a2": 110.494980167637, - "a5": 120.969548100376, - "sidechain_LEU": 180, - "chainIndex": 804, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.657600949614 - } -}, -{ - "pk": 2336, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.982982459592, - "psi": -25.3462695265166, - "oldID": "38", - "bg": 14.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1065841281132, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2337, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2334, - "terminal_flag": false, - "phi": -82.5924644966233, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.652184474705, - "chi2": null, - "chi3": null, - "chi1": -74.0497932854739, - "chi4": null, - "chi5": null, - "a1": 119.761784082172, - "L4": 1.51592604686017, - "L5": 1.21774440851048, - "L2": 1.45746949659814, - "L3": 1.51752599138323, - "a7": 122.981609699762, - "L1": 1.32732068335999, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 111.601136502095, - "bs": 14.0, - "a2": 110.618685424643, - "a5": 119.957395084052, - "sidechain_LEU": null, - "chainIndex": 38, - "sidechain_HIS": 68, - "h_bond_energy": 0.0, - "a4": 111.186791565947 - } -}, -{ - "pk": 2337, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.663538522404, - "psi": 136.476721343907, - "oldID": "39", - "bg": 17.7, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6163342194748, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2338, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2336, - "terminal_flag": false, - "phi": -64.4656103662593, - "chainID": "B", - "sidechain_GLN": 89, - "ome": 178.617630969717, - "chi2": -171.776910271194, - "chi3": -25.8998241799188, - "chi1": 168.021880938751, - "chi4": null, - "chi5": null, - "a1": 119.951311305914, - "L4": 1.54802901932271, - "L5": 1.23864759510889, - "L2": 1.46209420715113, - "L3": 1.5252600506469, - "a7": 122.333446990984, - "L1": 1.33063582106847, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.928100812772, - "bs": 18.0, - "a2": 109.931726943908, - "a5": 120.854616510364, - "sidechain_LEU": null, - "chainIndex": 39, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.136606955816 - } -}, -{ - "pk": 2338, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 105, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 119.032577030058, - "psi": 134.379900648373, - "oldID": "40", - "bg": 15.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5299280033638, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2340, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2337, - "terminal_flag": false, - "phi": -172.608452425805, - "chainID": "B", - "sidechain_GLN": null, - "ome": -0.774299974586682, - "chi2": -36.1973641500376, - "chi3": null, - "chi1": -113.535848918758, - "chi4": null, - "chi5": null, - "a1": 122.13062433145, - "L4": 1.5252603631427, - "L5": 1.23729805133658, - "L2": 1.4702888256854, - "L3": 1.54697120479988, - "a7": 121.497887148502, - "L1": 1.32407772541398, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.24004806822, - "bs": 16.0, - "a2": 110.603019171163, - "a5": 119.249559497237, - "sidechain_LEU": null, - "chainIndex": 40, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.596579963244 - } -}, -{ - "pk": 2339, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.060538961988, - "psi": -32.3968815200966, - "oldID": "806", - "bg": 46.36, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.266346858159, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2341, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2335, - "terminal_flag": false, - "phi": -72.9811174583755, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.553596533487, - "chi2": -179.004510778654, - "chi3": -176.432768439848, - "chi1": -106.411003039577, - "chi4": 152.19768218838, - "chi5": -0.15093265680429, - "a1": 121.441492040407, - "L4": 1.52829667022524, - "L5": 1.23045750615327, - "L2": 1.44232305170366, - "L3": 1.52215439333277, - "a7": 122.615123390231, - "L1": 1.32379142377566, - "sidechain_ARG": 112, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.900131048399, - "bs": 54.0, - "a2": 109.694410768436, - "a5": 120.324278742723, - "sidechain_LEU": null, - "chainIndex": 805, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.835834710732 - } -}, -{ - "pk": 2340, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 133, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.77999276902, - "psi": 167.425027380446, - "oldID": "41", - "bg": 17.98, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.6178308783776, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2342, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2338, - "terminal_flag": false, - "phi": -64.7588975554124, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.322707249921, - "chi2": 20.3485878603612, - "chi3": -22.4862878977996, - "chi1": -9.57578481849472, - "chi4": 17.0559246730695, - "chi5": null, - "a1": 125.123663251878, - "L4": 1.54759641556411, - "L5": 1.22626535023967, - "L2": 1.47390701767784, - "L3": 1.53032447521693, - "a7": 122.325439385062, - "L1": 1.33281719427008, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -179.670527864503, - "ss": "S", - "a3": 113.472460074558, - "bs": 17.0, - "a2": 103.757255004949, - "a5": 121.879785126078, - "sidechain_LEU": null, - "chainIndex": 41, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.679843448673 - } -}, -{ - "pk": 2341, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.349621792671, - "psi": 138.100758293288, - "oldID": "807", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2343, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2339, - "terminal_flag": false, - "phi": 95.7511245965778, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.867779636036, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.42799553337, - "L4": 1.5267647954034, - "L5": 1.21734657959993, - "L2": 1.45281741561617, - "L3": null, - "a7": 121.819411519006, - "L1": 1.32847532764787, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.9498219678, - "bs": 0.0, - "a2": null, - "a5": 120.828675960296, - "sidechain_LEU": null, - "chainIndex": 806, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2342, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 134, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.389529285137, - "psi": -25.4119306962317, - "oldID": "42", - "bg": 17.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.8754692132046, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2344, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2340, - "terminal_flag": false, - "phi": -66.8545418122573, - "chainID": "B", - "sidechain_GLN": null, - "ome": -172.540960658729, - "chi2": 25.8135897791021, - "chi3": -25.1450808482241, - "chi1": -15.4112675132769, - "chi4": 14.8574193678026, - "chi5": null, - "a1": 122.701866592713, - "L4": 1.51317765204366, - "L5": 1.23206616214199, - "L2": 1.47134484661951, - "L3": 1.54042535465208, - "a7": 123.115000827148, - "L1": 1.31397700739952, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 1.32388827745969, - "ss": "S", - "a3": 112.98552551611, - "bs": 17.0, - "a2": 103.44454819748, - "a5": 120.481840997667, - "sidechain_LEU": null, - "chainIndex": 42, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.239105089308 - } -}, -{ - "pk": 2343, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.398579221004, - "psi": 152.968531044013, - "oldID": "808", - "bg": 21.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1385936886161, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2345, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2341, - "terminal_flag": false, - "phi": -82.6664706596864, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.875237395973, - "chi2": 57.8029875622598, - "chi3": null, - "chi1": -71.6813448778233, - "chi4": null, - "chi5": null, - "a1": 121.100298853266, - "L4": 1.53592222056702, - "L5": 1.23759390996307, - "L2": 1.45014266278663, - "L3": 1.53079686174424, - "a7": 122.055416869736, - "L1": 1.32294072587901, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 114.317287528272, - "bs": 19.0, - "a2": 108.823420507611, - "a5": 121.523037329445, - "sidechain_LEU": 181, - "chainIndex": 807, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.747823521301 - } -}, -{ - "pk": 2344, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 134, - "a6": 116.419883364522, - "psi": 166.639598854595, - "oldID": "43", - "bg": 18.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3841755090507, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2346, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2342, - "terminal_flag": false, - "phi": -160.74895338887, - "chainID": "B", - "sidechain_GLN": null, - "ome": 172.900478067221, - "chi2": 28.3309532785882, - "chi3": null, - "chi1": -168.104304716093, - "chi4": null, - "chi5": null, - "a1": 120.152322906081, - "L4": 1.5160445472848, - "L5": 1.23045351306329, - "L2": 1.45191986775075, - "L3": 1.54842213170264, - "a7": 122.170557773118, - "L1": 1.32514856340861, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.169933402662, - "bs": 18.0, - "a2": 108.323329635679, - "a5": 121.362152435656, - "sidechain_LEU": null, - "chainIndex": 43, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.378739461899 - } -}, -{ - "pk": 2345, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.0188556992, - "psi": 161.031812881927, - "oldID": "809", - "bg": 24.16, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.343407607298, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 129, - "sidechain_TRP": null, - "next": 2347, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2343, - "terminal_flag": false, - "phi": -79.8022225176493, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.618916935795, - "chi2": null, - "chi3": null, - "chi1": 56.542269817303, - "chi4": null, - "chi5": null, - "a1": 120.329395211531, - "L4": 1.53364211000653, - "L5": 1.23317448207469, - "L2": 1.44421153734983, - "L3": 1.54295695107517, - "a7": 121.2705814471, - "L1": 1.32379780390627, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 104.981585901106, - "bs": 24.0, - "a2": 110.445644888675, - "a5": 120.708008249893, - "sidechain_LEU": null, - "chainIndex": 808, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.849438971414 - } -}, -{ - "pk": 2346, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.738668707396, - "psi": 145.708975390117, - "oldID": "44", - "bg": 15.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.32986427212, - "sidechain_PHE": 89, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2348, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2344, - "terminal_flag": false, - "phi": -55.8830090582832, - "chainID": "B", - "sidechain_GLN": null, - "ome": 169.931474432008, - "chi2": -62.126685773717, - "chi3": null, - "chi1": -70.1909106957151, - "chi4": null, - "chi5": null, - "a1": 120.560479192077, - "L4": 1.51572443858293, - "L5": 1.22503092832802, - "L2": 1.4456307024089, - "L3": 1.53026374526362, - "a7": 122.953948154679, - "L1": 1.32407391846647, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.789809262388, - "bs": 15.0, - "a2": 109.384249126531, - "a5": 120.306137566492, - "sidechain_LEU": null, - "chainIndex": 44, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 103.83678971555 - } -}, -{ - "pk": 2347, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 135, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.330943344596, - "psi": -36.1659778496353, - "oldID": "810", - "bg": 28.14, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.1996060086342, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2349, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2345, - "terminal_flag": false, - "phi": -54.6599072880354, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.028263601859, - "chi2": -33.768726583879, - "chi3": 32.2163627375997, - "chi1": 21.4353524940058, - "chi4": -18.9799179550194, - "chi5": null, - "a1": 116.429531463668, - "L4": 1.54468700326041, - "L5": 1.23142086993353, - "L2": 1.47030350168562, - "L3": 1.54046182601754, - "a7": 122.550072525711, - "L1": 1.33432239513602, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 2.33687501442052, - "ss": "H", - "a3": 113.88929305199, - "bs": 25.0, - "a2": 103.602914660822, - "a5": 120.088234072887, - "sidechain_LEU": null, - "chainIndex": 809, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 114.535193097804 - } -}, -{ - "pk": 2348, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 106, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.290457602514, - "psi": 175.80850719612, - "oldID": "45", - "bg": 16.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.4998879539278, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2350, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2346, - "terminal_flag": false, - "phi": -141.171417903605, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.563349080416, - "chi2": 55.2899111965346, - "chi3": null, - "chi1": 56.8951794094934, - "chi4": null, - "chi5": null, - "a1": 121.401263785636, - "L4": 1.53160278016591, - "L5": 1.25010771136924, - "L2": 1.46852097620696, - "L3": 1.54562290905728, - "a7": 122.911107147721, - "L1": 1.33128654428129, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 107.963540308361, - "bs": 15.0, - "a2": 113.52399998559, - "a5": 119.773538455795, - "sidechain_LEU": null, - "chainIndex": 45, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.456729533363 - } -}, -{ - "pk": 2349, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.988345316055, - "psi": -48.6198003692271, - "oldID": "811", - "bg": 27.58, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0289149767588, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2351, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2347, - "terminal_flag": false, - "phi": -69.0058561143043, - "chainID": "A", - "sidechain_GLN": 90, - "ome": 179.473393220769, - "chi2": 102.014280421656, - "chi3": -62.4230468033039, - "chi1": -63.2602644806401, - "chi4": null, - "chi5": null, - "a1": 120.752506547199, - "L4": 1.55444510898261, - "L5": 1.23824428420494, - "L2": 1.45530345114002, - "L3": 1.56268336192957, - "a7": 121.753984544323, - "L1": 1.33469417503751, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.739874471326, - "bs": 27.0, - "a2": 112.376629676275, - "a5": 120.257466048722, - "sidechain_LEU": null, - "chainIndex": 810, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.635557083294 - } -}, -{ - "pk": 2350, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.375133103634, - "psi": -27.6804411760127, - "oldID": "46", - "bg": 15.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7977035060128, - "sidechain_PHE": 90, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2352, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2348, - "terminal_flag": false, - "phi": -50.9038094129926, - "chainID": "B", - "sidechain_GLN": null, - "ome": -174.821025831439, - "chi2": 79.5982501547874, - "chi3": null, - "chi1": -175.401242065137, - "chi4": null, - "chi5": null, - "a1": 121.818292232775, - "L4": 1.5320060049097, - "L5": 1.23605884810264, - "L2": 1.47566158880172, - "L3": 1.55308178925946, - "a7": 122.117147134466, - "L1": 1.3341000967579, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.080262429905, - "bs": 15.0, - "a2": 110.405873495063, - "a5": 120.50601216613, - "sidechain_LEU": null, - "chainIndex": 46, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.139424795923 - } -}, -{ - "pk": 2351, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.533107707014, - "psi": -31.8262366513629, - "oldID": "812", - "bg": 25.3, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9083237124823, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2353, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2349, - "terminal_flag": false, - "phi": -58.5048395929053, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.783763199169, - "chi2": 178.210686599485, - "chi3": -55.6359916659579, - "chi1": -62.7643746915652, - "chi4": null, - "chi5": null, - "a1": 119.763308360976, - "L4": 1.53280589786041, - "L5": 1.23260575648881, - "L2": 1.46398783568589, - "L3": 1.53712346462354, - "a7": 123.653622315776, - "L1": 1.33866444927689, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 160, - "omep": null, - "ss": "H", - "a3": 110.728102209439, - "bs": 26.0, - "a2": 112.19772643189, - "a5": 120.80821163407, - "sidechain_LEU": null, - "chainIndex": 811, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.832439881675 - } -}, -{ - "pk": 2352, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.069824168478, - "psi": 7.46357590211222, - "oldID": "47", - "bg": 16.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.8208471199647, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2354, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2350, - "terminal_flag": false, - "phi": -107.221428991585, - "chainID": "B", - "sidechain_GLN": null, - "ome": -172.424843560657, - "chi2": null, - "chi3": null, - "chi1": -59.997716334996, - "chi4": null, - "chi5": null, - "a1": 119.996477028504, - "L4": 1.51442755260006, - "L5": 1.24003644411276, - "L2": 1.46398656448105, - "L3": 1.5168400352247, - "a7": 123.017794568362, - "L1": 1.33133509439989, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.138472914118, - "bs": 17.0, - "a2": 110.50095906788, - "a5": 119.906754107615, - "sidechain_LEU": null, - "chainIndex": 47, - "sidechain_HIS": 69, - "h_bond_energy": 0.0, - "a4": 106.723710108785 - } -}, -{ - "pk": 2353, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.60399716762, - "psi": -57.8169627430595, - "oldID": "813", - "bg": 17.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6932344534139, - "sidechain_PHE": 91, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2355, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 2351, - "terminal_flag": false, - "phi": -65.2337221167904, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.404194287293, - "chi2": 85.8039182436448, - "chi3": null, - "chi1": -174.579836810795, - "chi4": null, - "chi5": null, - "a1": 122.646108719285, - "L4": 1.53138590767376, - "L5": 1.23451966928363, - "L2": 1.45031626230018, - "L3": 1.52422850804764, - "a7": 122.10630318925, - "L1": 1.33222153752645, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.31904901032, - "bs": 16.0, - "a2": 109.727170439534, - "a5": 121.261490701138, - "sidechain_LEU": null, - "chainIndex": 812, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.569632518985 - } -}, -{ - "pk": 2354, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.622771413301, - "psi": 101.777015591789, - "oldID": "48", - "bg": 15.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.4038443619278, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 130, - "sidechain_TRP": null, - "next": 2356, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2352, - "terminal_flag": false, - "phi": -136.39664811683, - "chainID": "B", - "sidechain_GLN": null, - "ome": -173.64775609401, - "chi2": null, - "chi3": null, - "chi1": -52.5624231970218, - "chi4": null, - "chi5": null, - "a1": 121.660222472748, - "L4": 1.51474056408077, - "L5": 1.22703250452726, - "L2": 1.45350526369148, - "L3": 1.5340552478857, - "a7": 122.87273830103, - "L1": 1.323283446676, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 109.648525228387, - "bs": 15.0, - "a2": 107.868620375091, - "a5": 120.495422682863, - "sidechain_LEU": null, - "chainIndex": 48, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.017024685393 - } -}, -{ - "pk": 2355, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.626960139785, - "psi": -43.3514645759931, - "oldID": "814", - "bg": 16.28, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.9948610417629, - "sidechain_PHE": 92, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2357, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2353, - "terminal_flag": false, - "phi": -58.2323329040663, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.785516996846, - "chi2": 74.121237364064, - "chi3": null, - "chi1": -163.548538663569, - "chi4": null, - "chi5": null, - "a1": 119.469543213316, - "L4": 1.55058645386959, - "L5": 1.24003772133498, - "L2": 1.44856326032766, - "L3": 1.52883155518781, - "a7": 121.906510903873, - "L1": 1.32305886113356, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.766413057492, - "bs": 16.0, - "a2": 110.304580694912, - "a5": 120.459446314711, - "sidechain_LEU": null, - "chainIndex": 813, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.211842828171 - } -}, -{ - "pk": 2356, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.413812761499, - "psi": -19.5200349166939, - "oldID": "49", - "bg": 15.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.3458187150998, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2358, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2354, - "terminal_flag": false, - "phi": -96.4991561894211, - "chainID": "B", - "sidechain_GLN": null, - "ome": -175.361600526084, - "chi2": -21.3163504090534, - "chi3": null, - "chi1": -50.6350334632176, - "chi4": null, - "chi5": null, - "a1": 122.449598409761, - "L4": 1.51756221888209, - "L5": 1.21653292224411, - "L2": 1.43969709208511, - "L3": 1.51107033760974, - "a7": 122.974870727109, - "L1": 1.32677563323019, - "sidechain_ARG": null, - "sidechain_TYR": 72, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.342449094927, - "bs": 15.0, - "a2": 110.108799999104, - "a5": 120.518455959753, - "sidechain_LEU": null, - "chainIndex": 49, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.501652003051 - } -}, -{ - "pk": 2357, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.722700318615, - "psi": -48.4663554414451, - "oldID": "815", - "bg": 23.84, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0174507322251, - "sidechain_PHE": 93, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2360, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2355, - "terminal_flag": false, - "phi": -59.6084140869922, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.716941171533, - "chi2": -25.3400163596754, - "chi3": null, - "chi1": -71.9853351444838, - "chi4": null, - "chi5": null, - "a1": 120.512714477068, - "L4": 1.51909086283333, - "L5": 1.23428564268939, - "L2": 1.46476328829107, - "L3": 1.53847762793403, - "a7": 122.989848305551, - "L1": 1.33122609408681, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.798162366768, - "bs": 25.0, - "a2": 110.644493431333, - "a5": 121.261019222889, - "sidechain_LEU": null, - "chainIndex": 814, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.64221008603 - } -}, -{ - "pk": 2358, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.463925313288, - "psi": 121.967444935329, - "oldID": "50", - "bg": 19.02, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4548435343778, - "sidechain_PHE": null, - "sidechain_LYS": 165, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2359, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2356, - "terminal_flag": false, - "phi": -127.56511828304, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.145824338486, - "chi2": 62.9319257856775, - "chi3": 161.313761163064, - "chi1": -176.360740870894, - "chi4": 169.130793778273, - "chi5": null, - "a1": 121.575871167709, - "L4": 1.50514124493465, - "L5": 1.23690922157479, - "L2": 1.45853933467026, - "L3": 1.53980683695053, - "a7": 123.683542141262, - "L1": 1.33312761563002, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 103.430561098909, - "bs": 19.0, - "a2": 109.773274313875, - "a5": 120.694036285349, - "sidechain_LEU": null, - "chainIndex": 50, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.764322974779 - } -}, -{ - "pk": 2359, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.591587585775, - "psi": 117.202201896845, - "oldID": "51", - "bg": 17.11, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4288441263035, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2361, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2358, - "terminal_flag": false, - "phi": -134.277612783994, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.681955381404, - "chi2": 68.8123389364967, - "chi3": null, - "chi1": -174.521850599475, - "chi4": null, - "chi5": null, - "a1": 120.539339240307, - "L4": 1.51979931101216, - "L5": 1.2319515796703, - "L2": 1.44083981271288, - "L3": 1.53139543945254, - "a7": 122.377359975052, - "L1": 1.3255692494186, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.077710207987, - "bs": 16.0, - "a2": 108.819037553246, - "a5": 121.030661493359, - "sidechain_LEU": 182, - "chainIndex": 51, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.856880674659 - } -}, -{ - "pk": 2360, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.877955004972, - "psi": -31.3915400642189, - "oldID": "816", - "bg": 27.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.7511024472121, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2362, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2357, - "terminal_flag": false, - "phi": -61.589542026409, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.388890284294, - "chi2": null, - "chi3": null, - "chi1": -175.143546335126, - "chi4": null, - "chi5": null, - "a1": 120.602789945607, - "L4": 1.5235026685003, - "L5": 1.22744873219002, - "L2": 1.44996241871801, - "L3": 1.51936405895271, - "a7": 122.631753916074, - "L1": 1.32508323866413, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.31427807659, - "bs": 29.0, - "a2": 110.667291951808, - "a5": 119.482066341694, - "sidechain_LEU": null, - "chainIndex": 815, - "sidechain_HIS": 70, - "h_bond_energy": 0.0, - "a4": 108.941961672021 - } -}, -{ - "pk": 2361, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.993913577492, - "psi": 107.128027746541, - "oldID": "52", - "bg": 17.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.5072042520764, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 161, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2363, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2359, - "terminal_flag": false, - "phi": -81.3149935456452, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.827059683878, - "chi2": null, - "chi3": null, - "chi1": 177.885152079271, - "chi4": null, - "chi5": null, - "a1": 119.047936068787, - "L4": 1.52368237221482, - "L5": 1.23872902106618, - "L2": 1.45565069652817, - "L3": 1.55656516415374, - "a7": 122.850758051541, - "L1": 1.32953150258769, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.319062030812, - "bs": 16.0, - "a2": 112.886024257371, - "a5": 122.130633328157, - "sidechain_LEU": null, - "chainIndex": 52, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.969292596883 - } -}, -{ - "pk": 2362, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.356617832993, - "psi": -27.6806951557709, - "oldID": "817", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.2492750299107, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2364, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2360, - "terminal_flag": false, - "phi": -73.2928250542703, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.963436963077, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 118.877391451706, - "L4": 1.54044018934846, - "L5": 1.23340528140855, - "L2": 1.45720619669223, - "L3": 1.5476323487335, - "a7": 122.313525152595, - "L1": 1.33375521687244, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.962032004434, - "bs": 16.0, - "a2": 111.916034700075, - "a5": 120.317109739359, - "sidechain_LEU": null, - "chainIndex": 816, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.442011003657 - } -}, -{ - "pk": 2363, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.976251225687, - "psi": 144.981818227063, - "oldID": "53", - "bg": 16.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4340210690162, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2365, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2361, - "terminal_flag": false, - "phi": -86.8418700169186, - "chainID": "B", - "sidechain_GLN": null, - "ome": -173.829777726883, - "chi2": -178.760877932535, - "chi3": -170.263502315443, - "chi1": -67.5964520149478, - "chi4": -77.239465860727, - "chi5": 1.32749793782151, - "a1": 120.798805878105, - "L4": 1.51162931963874, - "L5": 1.22578558788429, - "L2": 1.44138313217587, - "L3": 1.52089206223872, - "a7": 122.833743740422, - "L1": 1.3264431644709, - "sidechain_ARG": 113, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.571101365849, - "bs": 16.0, - "a2": 109.460632293863, - "a5": 120.138454804271, - "sidechain_LEU": null, - "chainIndex": 53, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.854661375629 - } -}, -{ - "pk": 2364, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.837405097452, - "psi": -41.0317415509438, - "oldID": "818", - "bg": 18.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.1509148926914, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 60, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2367, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2362, - "terminal_flag": false, - "phi": -71.6933878949466, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.777615850783, - "chi2": 165.317918804282, - "chi3": 81.4843443929986, - "chi1": -67.6759734588875, - "chi4": null, - "chi5": null, - "a1": 119.628303188159, - "L4": 1.54728106693915, - "L5": 1.2319882610585, - "L2": 1.45475485841263, - "L3": 1.54111851967907, - "a7": 123.025557789708, - "L1": 1.33266706075239, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.806402697814, - "bs": 18.0, - "a2": 111.959717943398, - "a5": 120.082180707876, - "sidechain_LEU": null, - "chainIndex": 817, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.152956929301 - } -}, -{ - "pk": 2365, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.57058387936, - "psi": 124.394072570747, - "oldID": "54", - "bg": 17.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2234233667761, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 61, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2366, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2363, - "terminal_flag": false, - "phi": -139.594061013466, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.946127374168, - "chi2": 165.493700382399, - "chi3": 72.5320123607913, - "chi1": -53.8468836488227, - "chi4": null, - "chi5": null, - "a1": 120.67110491643, - "L4": 1.51667981590941, - "L5": 1.24919746784914, - "L2": 1.45806722174, - "L3": 1.54348476935498, - "a7": 123.200738510164, - "L1": 1.32688246865908, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.806056390568, - "bs": 17.0, - "a2": 110.829804640256, - "a5": 120.228576002005, - "sidechain_LEU": null, - "chainIndex": 54, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.57559485192 - } -}, -{ - "pk": 2366, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.184780966306, - "psi": 122.684953744192, - "oldID": "55", - "bg": 23.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6606153022195, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2368, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2365, - "terminal_flag": false, - "phi": -138.157933766127, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.9967934949, - "chi2": null, - "chi3": null, - "chi1": -69.5787172614091, - "chi4": null, - "chi5": null, - "a1": 120.621261670956, - "L4": 1.51920276572589, - "L5": 1.24265962450395, - "L2": 1.46860620416343, - "L3": 1.53519211819004, - "a7": 122.978213878689, - "L1": 1.33512853138939, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.786317306483, - "bs": 24.0, - "a2": 111.398148323279, - "a5": 121.831301991497, - "sidechain_LEU": null, - "chainIndex": 55, - "sidechain_HIS": 71, - "h_bond_energy": 0.0, - "a4": 108.988987973653 - } -}, -{ - "pk": 2367, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 113.677755479646, - "psi": -54.3085921949792, - "oldID": "819", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2369, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2364, - "terminal_flag": false, - "phi": -61.4075632703181, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.012511342737, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.443028509071, - "L4": 1.5172130328253, - "L5": 1.23716648126688, - "L2": 1.45159902337752, - "L3": null, - "a7": 123.900231271182, - "L1": 1.33557182927409, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.284863560752, - "bs": 0.0, - "a2": null, - "a5": 122.387009198524, - "sidechain_LEU": null, - "chainIndex": 818, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2368, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.710884128593, - "psi": 138.230621689802, - "oldID": "56", - "bg": 15.9, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1098520632234, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2370, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2366, - "terminal_flag": false, - "phi": -71.2379448959617, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.823061918916, - "chi2": -166.718228582263, - "chi3": 12.2248562283886, - "chi1": -76.0070983910606, - "chi4": null, - "chi5": null, - "a1": 120.453566479033, - "L4": 1.51146309438091, - "L5": 1.23711978508676, - "L2": 1.43985550174288, - "L3": 1.52281523420188, - "a7": 123.414933506508, - "L1": 1.31581468068844, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 161, - "omep": null, - "ss": "E", - "a3": 107.615768558901, - "bs": 16.0, - "a2": 110.807000788152, - "a5": 119.870711209391, - "sidechain_LEU": null, - "chainIndex": 56, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.487508995401 - } -}, -{ - "pk": 2369, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.598774649636, - "psi": -51.089853500866, - "oldID": "820", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2371, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2367, - "terminal_flag": false, - "phi": -51.0542386456857, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.702947437184, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.745724159919, - "L4": 1.51506865846545, - "L5": 1.2328484010869, - "L2": 1.45312538090588, - "L3": null, - "a7": 122.719155554118, - "L1": 1.32484350350526, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.069191004552, - "bs": 0.0, - "a2": null, - "a5": 119.677186192246, - "sidechain_LEU": null, - "chainIndex": 819, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2370, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.693489017263, - "psi": 130.069579452137, - "oldID": "57", - "bg": 18.14, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8763957635011, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2372, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2368, - "terminal_flag": false, - "phi": -147.736866789149, - "chainID": "B", - "sidechain_GLN": 91, - "ome": 175.941419718864, - "chi2": -71.4505154116323, - "chi3": 3.44030035777864, - "chi1": -57.5126310740709, - "chi4": null, - "chi5": null, - "a1": 121.073149699801, - "L4": 1.49712609464739, - "L5": 1.2297535957909, - "L2": 1.46312148267224, - "L3": 1.54578723491202, - "a7": 123.582233277904, - "L1": 1.33017509098011, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.748783361798, - "bs": 18.0, - "a2": 112.131647414229, - "a5": 120.720190419129, - "sidechain_LEU": null, - "chainIndex": 57, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.121918502249 - } -}, -{ - "pk": 2371, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.757013710098, - "psi": -46.4586221752208, - "oldID": "821", - "bg": 31.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4059884760617, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2373, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 2369, - "terminal_flag": false, - "phi": -49.6120289489306, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.835577901277, - "chi2": 82.3544152013286, - "chi3": 116.592222111484, - "chi1": 174.654837960875, - "chi4": -119.546118630929, - "chi5": -0.837809627237219, - "a1": 120.306017995514, - "L4": 1.53413921754184, - "L5": 1.23478059718234, - "L2": 1.4573458412527, - "L3": 1.53229645062867, - "a7": 122.708631291847, - "L1": 1.32957042556741, - "sidechain_ARG": 114, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.236542418893, - "bs": 34.0, - "a2": 110.908562638981, - "a5": 120.529576269023, - "sidechain_LEU": null, - "chainIndex": 820, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.257754757311 - } -}, -{ - "pk": 2372, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.061412965129, - "psi": 118.806405116788, - "oldID": "58", - "bg": 29.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6940013371114, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2374, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 2370, - "terminal_flag": false, - "phi": -87.0618975193807, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.17635749898, - "chi2": 167.12736854108, - "chi3": 16.1756274802181, - "chi1": -166.760596574966, - "chi4": null, - "chi5": null, - "a1": 121.017432582874, - "L4": 1.51112847502657, - "L5": 1.22209196193671, - "L2": 1.44361844637296, - "L3": 1.52127752739677, - "a7": 122.464232608778, - "L1": 1.32196712718593, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 162, - "omep": null, - "ss": "E", - "a3": 105.683421819836, - "bs": 30.0, - "a2": 110.34198699717, - "a5": 121.441591841461, - "sidechain_LEU": null, - "chainIndex": 58, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.062444314373 - } -}, -{ - "pk": 2373, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.9471011847, - "psi": -35.299761433677, - "oldID": "822", - "bg": 43.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5005961527809, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2376, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2371, - "terminal_flag": false, - "phi": -53.1361200621819, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.728512310265, - "chi2": -171.954337671693, - "chi3": 21.59529222571, - "chi1": -155.681266448808, - "chi4": null, - "chi5": null, - "a1": 121.368727410413, - "L4": 1.53375319229318, - "L5": 1.22510287773879, - "L2": 1.45919095069777, - "L3": 1.5350036205583, - "a7": 122.773641633338, - "L1": 1.33112727393108, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 163, - "omep": null, - "ss": "H", - "a3": 109.944293815404, - "bs": 43.0, - "a2": 110.489076224765, - "a5": 120.27597012397, - "sidechain_LEU": null, - "chainIndex": 821, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.961166088061 - } -}, -{ - "pk": 2374, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.823736259115, - "psi": 121.556700713055, - "oldID": "59", - "bg": 25.71, - "sidechain_CYS": null, - "sidechain_ILE": 132, - "protein": "1H0H", - "zeta": 35.1889803365167, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2375, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2372, - "terminal_flag": false, - "phi": -122.260734606277, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.758546930499, - "chi2": 175.667759787583, - "chi3": null, - "chi1": -67.0087265352289, - "chi4": null, - "chi5": null, - "a1": 120.807033938403, - "L4": 1.5150381631688, - "L5": 1.23482624764396, - "L2": 1.44295168868607, - "L3": 1.52243394517973, - "a7": 123.613516160538, - "L1": 1.31627373207492, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.646229722911, - "bs": 26.0, - "a2": 109.337898080168, - "a5": 120.557915215492, - "sidechain_LEU": null, - "chainIndex": 59, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.265495480858 - } -}, -{ - "pk": 2375, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 135, - "a6": 115.017018471976, - "psi": 44.6165614223124, - "oldID": "60", - "bg": 26.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2183561139617, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2377, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2374, - "terminal_flag": false, - "phi": 54.9022856486123, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.889061546155, - "chi2": -30.3786738389175, - "chi3": null, - "chi1": -72.0678940087333, - "chi4": null, - "chi5": null, - "a1": 122.160785070504, - "L4": 1.52467880271691, - "L5": 1.23487481011097, - "L2": 1.46091118566764, - "L3": 1.53479192050022, - "a7": 123.293264481879, - "L1": 1.33099987302632, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 110.142537634652, - "bs": 26.0, - "a2": 111.523017017184, - "a5": 121.679158931822, - "sidechain_LEU": null, - "chainIndex": 60, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.742283957144 - } -}, -{ - "pk": 2376, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.682533043469, - "psi": -43.1358554355656, - "oldID": "823", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2378, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 2373, - "terminal_flag": false, - "phi": -69.0686501008108, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.259376435067, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.976912781382, - "L4": 1.52003265509548, - "L5": 1.228085217892, - "L2": 1.44834354503275, - "L3": null, - "a7": 122.616706502569, - "L1": 1.32964331632074, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.218414213365, - "bs": 0.0, - "a2": null, - "a5": 120.700520869435, - "sidechain_LEU": null, - "chainIndex": 822, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2377, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.072228937732, - "psi": -0.873939728471353, - "oldID": "61", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2379, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 2375, - "terminal_flag": false, - "phi": 75.6197707044871, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.813289870146, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.202267041032, - "L4": 1.51238637810837, - "L5": 1.22698135671539, - "L2": 1.44755912444205, - "L3": null, - "a7": 123.241285843633, - "L1": 1.3253037404403, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 116.057784894729, - "bs": 0.0, - "a2": null, - "a5": 118.678154683863, - "sidechain_LEU": null, - "chainIndex": 61, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2378, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.240557681993, - "psi": -41.9887869266596, - "oldID": "824", - "bg": 46.63, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6590927395267, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2380, - "sidechain_SER": null, - "bm": 45.0, - "xpr": false, - "prev": 2376, - "terminal_flag": false, - "phi": -60.4697141019636, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.544811064624, - "chi2": 169.495522713713, - "chi3": null, - "chi1": -62.6605633451945, - "chi4": null, - "chi5": null, - "a1": 121.69870419731, - "L4": 1.52595698305648, - "L5": 1.23302229483439, - "L2": 1.45178171981518, - "L3": 1.53627686318112, - "a7": 122.973291984865, - "L1": 1.32757811588085, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.53280097909, - "bs": 46.0, - "a2": 109.826807711325, - "a5": 120.77724496508, - "sidechain_LEU": 183, - "chainIndex": 823, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.630923467654 - } -}, -{ - "pk": 2379, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.426284992918, - "psi": 138.350196400388, - "oldID": "62", - "bg": 25.55, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8320011658014, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2381, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2377, - "terminal_flag": false, - "phi": -120.206193319665, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.784744886976, - "chi2": -161.214377336742, - "chi3": -155.136352316294, - "chi1": -76.0820521469441, - "chi4": -36.7595472685039, - "chi5": 0.304441505509448, - "a1": 120.61354292531, - "L4": 1.51423922774657, - "L5": 1.23296344605887, - "L2": 1.46650799444236, - "L3": 1.53820691933174, - "a7": 122.952227820573, - "L1": 1.33246704628244, - "sidechain_ARG": 115, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.08308282118, - "bs": 29.0, - "a2": 112.325521249233, - "a5": 120.620710926208, - "sidechain_LEU": null, - "chainIndex": 62, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.80123211235 - } -}, -{ - "pk": 2380, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.705910900171, - "psi": -46.8099526538719, - "oldID": "825", - "bg": 49.71, - "sidechain_CYS": null, - "sidechain_ILE": 133, - "protein": "1TWF", - "zeta": 34.569350259262, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2383, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2378, - "terminal_flag": false, - "phi": -69.1661653727186, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.93764542616, - "chi2": 169.264691863509, - "chi3": null, - "chi1": -50.1047669934409, - "chi4": null, - "chi5": null, - "a1": 120.842262239425, - "L4": 1.5299093738358, - "L5": 1.23247778346133, - "L2": 1.45211014738424, - "L3": 1.54646435178525, - "a7": 122.962874145426, - "L1": 1.32771313665445, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.647522452849, - "bs": 48.0, - "a2": 111.518994477242, - "a5": 120.330252360131, - "sidechain_LEU": null, - "chainIndex": 824, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.176059725046 - } -}, -{ - "pk": 2381, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.13033144608, - "psi": 144.162042255186, - "oldID": "63", - "bg": 15.4, - "sidechain_CYS": null, - "sidechain_ILE": 134, - "protein": "1H0H", - "zeta": 32.681417575625, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2382, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2379, - "terminal_flag": false, - "phi": -66.3413158904251, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.519114173573, - "chi2": 53.4689201525793, - "chi3": null, - "chi1": -168.780762912358, - "chi4": null, - "chi5": null, - "a1": 120.004057042709, - "L4": 1.51867231654928, - "L5": 1.24135825298038, - "L2": 1.45327921449973, - "L3": 1.55835875344682, - "a7": 123.34809244427, - "L1": 1.32051988922955, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.481598077666, - "bs": 16.0, - "a2": 111.564382484254, - "a5": 122.521553429124, - "sidechain_LEU": null, - "chainIndex": 63, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.928983202351 - } -}, -{ - "pk": 2382, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 136, - "a6": 116.738679739252, - "psi": 165.757006803149, - "oldID": "64", - "bg": 18.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9642606964375, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2385, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2381, - "terminal_flag": false, - "phi": -141.986346909803, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.778939426956, - "chi2": -21.7817386792249, - "chi3": null, - "chi1": -155.70781856483, - "chi4": null, - "chi5": null, - "a1": 122.759295576914, - "L4": 1.52480715774342, - "L5": 1.22483101790211, - "L2": 1.43754593124437, - "L3": 1.51861746134342, - "a7": 122.428526580083, - "L1": 1.31979656688868, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.719856283503, - "bs": 18.0, - "a2": 110.22528190062, - "a5": 120.807358943888, - "sidechain_LEU": null, - "chainIndex": 64, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.660166918924 - } -}, -{ - "pk": 2383, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 137, - "a6": 116.089118388364, - "psi": -34.0433810865814, - "oldID": "826", - "bg": 60.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5135658746531, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2384, - "sidechain_SER": null, - "bm": 55.0, - "xpr": false, - "prev": 2380, - "terminal_flag": false, - "phi": -62.0777091309453, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.213940571658, - "chi2": -3.55170407327266, - "chi3": null, - "chi1": -67.7657846543188, - "chi4": null, - "chi5": null, - "a1": 121.730267215887, - "L4": 1.5133814544443, - "L5": 1.22788789542302, - "L2": 1.45914631872421, - "L3": 1.53019094607129, - "a7": 123.168115247519, - "L1": 1.33100381610635, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.546379016136, - "bs": 60.0, - "a2": 110.491947966935, - "a5": 120.742734220049, - "sidechain_LEU": null, - "chainIndex": 825, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.821598728326 - } -}, -{ - "pk": 2384, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.132901584331, - "psi": -39.3484587285786, - "oldID": "827", - "bg": 53.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2957486569876, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 131, - "sidechain_TRP": null, - "next": 2387, - "sidechain_SER": null, - "bm": 56.0, - "xpr": false, - "prev": 2383, - "terminal_flag": false, - "phi": -66.9564357239981, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.678230837083, - "chi2": null, - "chi3": null, - "chi1": -72.7204479645089, - "chi4": null, - "chi5": null, - "a1": 120.786843621097, - "L4": 1.5244794627661, - "L5": 1.22899190991602, - "L2": 1.44603118310013, - "L3": 1.55457417332965, - "a7": 122.712116749385, - "L1": 1.32542946612548, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.752326441412, - "bs": 51.0, - "a2": 111.310379597751, - "a5": 120.154367325526, - "sidechain_LEU": null, - "chainIndex": 826, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.859010150397 - } -}, -{ - "pk": 2385, - "model": "pgd_core.residue", - "fields": { - "aa": "w", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.102550080507, - "psi": 112.354032406155, - "oldID": "65", - "bg": 13.58, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.492520684284, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": 44, - "next": 2386, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2382, - "terminal_flag": false, - "phi": -135.954309170138, - "chainID": "B", - "sidechain_GLN": null, - "ome": -172.094612697523, - "chi2": -3.93544631044219, - "chi3": null, - "chi1": -155.374299660347, - "chi4": null, - "chi5": null, - "a1": 121.77101605752, - "L4": 1.51754463765363, - "L5": 1.23932711306045, - "L2": 1.44577762423316, - "L3": 1.52192701142407, - "a7": 124.023535995505, - "L1": 1.32144484578652, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.130098765507, - "bs": 13.0, - "a2": 108.948065021778, - "a5": 120.871103811267, - "sidechain_LEU": null, - "chainIndex": 65, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.035683240142 - } -}, -{ - "pk": 2386, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.971627320747, - "psi": 130.937265690279, - "oldID": "66", - "bg": 16.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6280257364192, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2388, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2385, - "terminal_flag": false, - "phi": -100.405719724332, - "chainID": "B", - "sidechain_GLN": null, - "ome": -175.557321332172, - "chi2": -177.397036099142, - "chi3": null, - "chi1": -53.7377472246113, - "chi4": null, - "chi5": null, - "a1": 122.825567460538, - "L4": 1.49986566391166, - "L5": 1.22623248823846, - "L2": 1.45664410963501, - "L3": 1.53349609267388, - "a7": 124.149233102064, - "L1": 1.32481573498846, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.36605443972, - "bs": 16.0, - "a2": 110.878875423984, - "a5": 120.839466954643, - "sidechain_LEU": 184, - "chainIndex": 66, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.837213889666 - } -}, -{ - "pk": 2387, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.777329141406, - "psi": -40.4063857433289, - "oldID": "828", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4440354384824, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2389, - "sidechain_SER": null, - "bm": 59.0, - "xpr": false, - "prev": 2384, - "terminal_flag": false, - "phi": -64.1742492312636, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.1015508393, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.718362651414, - "L4": 1.52564237877594, - "L5": 1.23292123419558, - "L2": 1.45772430752172, - "L3": 1.51808946660195, - "a7": 123.391733333827, - "L1": 1.33051345496725, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.510603821616, - "bs": 59.0, - "a2": 110.311680826589, - "a5": 120.830822645362, - "sidechain_LEU": null, - "chainIndex": 827, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.198179468898 - } -}, -{ - "pk": 2388, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.807742800598, - "psi": 143.381239758614, - "oldID": "67", - "bg": 13.94, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1615695596503, - "sidechain_PHE": 94, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2390, - "sidechain_SER": null, - "bm": 13.0, - "xpr": false, - "prev": 2386, - "terminal_flag": false, - "phi": -116.104613275063, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.119619504853, - "chi2": -45.2327624328428, - "chi3": null, - "chi1": -52.0201840996095, - "chi4": null, - "chi5": null, - "a1": 122.545234607059, - "L4": 1.53560200416789, - "L5": 1.22283410201283, - "L2": 1.44549665039298, - "L3": 1.52713581966517, - "a7": 123.641161609191, - "L1": 1.32031605384411, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.3926568663, - "bs": 14.0, - "a2": 109.315568285106, - "a5": 120.466028889375, - "sidechain_LEU": null, - "chainIndex": 67, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.760168818604 - } -}, -{ - "pk": 2389, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.413171372061, - "psi": -52.9830783334995, - "oldID": "829", - "bg": 63.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2842961007713, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 162, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2391, - "sidechain_SER": null, - "bm": 65.0, - "xpr": false, - "prev": 2387, - "terminal_flag": false, - "phi": -69.5715156961868, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.365289895436, - "chi2": null, - "chi3": null, - "chi1": 166.495998419727, - "chi4": null, - "chi5": null, - "a1": 122.258425215569, - "L4": 1.51853322835863, - "L5": 1.2258931231417, - "L2": 1.45153216769198, - "L3": 1.53326825807747, - "a7": 123.20793024094, - "L1": 1.32934272477773, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.331190431004, - "bs": 64.0, - "a2": 111.24074282314, - "a5": 120.378239619676, - "sidechain_LEU": null, - "chainIndex": 828, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.32995061619 - } -}, -{ - "pk": 2390, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.651530998936, - "psi": 102.671398235429, - "oldID": "68", - "bg": 15.11, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.5796598103432, - "sidechain_PHE": 95, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2392, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2388, - "terminal_flag": false, - "phi": -144.41531219549, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.731236166504, - "chi2": 84.5995903255078, - "chi3": null, - "chi1": -160.062018978596, - "chi4": null, - "chi5": null, - "a1": 123.847784335748, - "L4": 1.53007633611452, - "L5": 1.23191129384056, - "L2": 1.46171456044234, - "L3": 1.53846744964615, - "a7": 121.606213573552, - "L1": 1.32624058742527, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 109.241799080245, - "bs": 15.0, - "a2": 107.836588599455, - "a5": 120.734612562702, - "sidechain_LEU": null, - "chainIndex": 68, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.781918672041 - } -}, -{ - "pk": 2391, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.473857749399, - "psi": -34.0570305686069, - "oldID": "830", - "bg": 74.43, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2700717623075, - "sidechain_PHE": null, - "sidechain_LYS": 166, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2394, - "sidechain_SER": null, - "bm": 71.0, - "xpr": false, - "prev": 2389, - "terminal_flag": false, - "phi": -53.5562893901364, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.581501714553, - "chi2": 77.8951980734275, - "chi3": -178.497689760464, - "chi1": -115.407984114231, - "chi4": -173.943332881006, - "chi5": null, - "a1": 121.439357604604, - "L4": 1.51703876246243, - "L5": 1.227107065434, - "L2": 1.45847466485475, - "L3": 1.53121746525919, - "a7": 122.619772021557, - "L1": 1.33170483960177, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 108.394415538768, - "bs": 75.0, - "a2": 111.267596133095, - "a5": 120.905861930034, - "sidechain_LEU": null, - "chainIndex": 829, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.507375576215 - } -}, -{ - "pk": 2392, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 136, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 114.337569195456, - "psi": 84.3334633044152, - "oldID": "69", - "bg": 17.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.9563584576685, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2393, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2390, - "terminal_flag": false, - "phi": -82.5546201304993, - "chainID": "B", - "sidechain_GLN": null, - "ome": -169.801149341172, - "chi2": -9.72473022865522, - "chi3": -0.99093066507203, - "chi1": 16.2825422943705, - "chi4": 12.1273868848261, - "chi5": null, - "a1": 121.989239814982, - "L4": 1.5320719778608, - "L5": 1.23181226142473, - "L2": 1.47876003368143, - "L3": 1.53060879820219, - "a7": 123.938753485774, - "L1": 1.32575190994956, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -0.810701564079552, - "ss": "E", - "a3": 109.356354101034, - "bs": 16.0, - "a2": 103.783422880084, - "a5": 121.656118880384, - "sidechain_LEU": null, - "chainIndex": 69, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.90104369464 - } -}, -{ - "pk": 2393, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 138, - "a6": 115.599656027727, - "psi": 145.074218776335, - "oldID": "70", - "bg": 16.43, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0789057042517, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2395, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2392, - "terminal_flag": false, - "phi": -72.7529102344449, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.905998857328, - "chi2": -3.24091505677058, - "chi3": null, - "chi1": -154.238883633844, - "chi4": null, - "chi5": null, - "a1": 124.388131815292, - "L4": 1.53087668427717, - "L5": 1.22708161974917, - "L2": 1.44609472864242, - "L3": 1.53071035605653, - "a7": 123.205200366471, - "L1": 1.32735035040802, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.245990752808, - "bs": 16.0, - "a2": 107.020247439873, - "a5": 121.102070713855, - "sidechain_LEU": null, - "chainIndex": 70, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.684370954758 - } -}, -{ - "pk": 2394, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.604817975999, - "psi": -43.103148157889, - "oldID": "831", - "bg": 73.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4821336488835, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 132, - "sidechain_TRP": null, - "next": 2396, - "sidechain_SER": null, - "bm": 71.0, - "xpr": false, - "prev": 2391, - "terminal_flag": false, - "phi": -75.0070846363226, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.042223520623, - "chi2": null, - "chi3": null, - "chi1": -64.8442543599279, - "chi4": null, - "chi5": null, - "a1": 119.9782762563, - "L4": 1.51410329447034, - "L5": 1.22376230650241, - "L2": 1.44945485294598, - "L3": 1.53642285340042, - "a7": 122.907557793874, - "L1": 1.32464325527694, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.612006732815, - "bs": 71.0, - "a2": 111.308003309735, - "a5": 120.472634242922, - "sidechain_LEU": null, - "chainIndex": 830, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.149389714367 - } -}, -{ - "pk": 2395, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.26723355202, - "psi": 169.167661707429, - "oldID": "71", - "bg": 17.28, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2070695645205, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2397, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2393, - "terminal_flag": false, - "phi": -167.250730806101, - "chainID": "B", - "sidechain_GLN": 92, - "ome": 175.983151066969, - "chi2": 177.449155702652, - "chi3": 102.374457114266, - "chi1": 63.5421810577599, - "chi4": null, - "chi5": null, - "a1": 124.084472359928, - "L4": 1.53909067489415, - "L5": 1.23073192015935, - "L2": 1.4489306258623, - "L3": 1.53871742666546, - "a7": 123.031422948601, - "L1": 1.32320605836625, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 105.549236915615, - "bs": 18.0, - "a2": 111.256379832951, - "a5": 120.664023554575, - "sidechain_LEU": null, - "chainIndex": 71, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.356673903138 - } -}, -{ - "pk": 2396, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.763951232389, - "psi": -41.5474740963153, - "oldID": "832", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8747961901308, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2398, - "sidechain_SER": null, - "bm": 73.0, - "xpr": false, - "prev": 2394, - "terminal_flag": false, - "phi": -69.9871309418888, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.375292232892, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.822834398744, - "L4": 1.53006264971852, - "L5": 1.2301993344867, - "L2": 1.45227818101975, - "L3": 1.5192398957333, - "a7": 123.19679005184, - "L1": 1.3252227557514, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.128700671029, - "bs": 73.0, - "a2": 109.619925065422, - "a5": 120.039209344845, - "sidechain_LEU": null, - "chainIndex": 831, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.254446848044 - } -}, -{ - "pk": 2397, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.560333950342, - "psi": 142.91847507024, - "oldID": "72", - "bg": 16.46, - "sidechain_CYS": 43, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.754178264722, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2399, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2395, - "terminal_flag": false, - "phi": -51.6049248420438, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.207482916429, - "chi2": null, - "chi3": null, - "chi1": 169.379285212326, - "chi4": null, - "chi5": null, - "a1": 122.185542036459, - "L4": 1.53678285519568, - "L5": 1.22959482123329, - "L2": 1.46202921377973, - "L3": 1.51670318571534, - "a7": 122.321262973988, - "L1": 1.32931968239869, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.198712386919, - "bs": 15.0, - "a2": 109.535375645784, - "a5": 120.086062162938, - "sidechain_LEU": null, - "chainIndex": 72, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.740198848245 - } -}, -{ - "pk": 2398, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.905093828567, - "psi": -45.4745034178029, - "oldID": "833", - "bg": 85.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4663890316593, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2400, - "sidechain_SER": null, - "bm": 77.0, - "xpr": false, - "prev": 2396, - "terminal_flag": false, - "phi": -71.0105353465635, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.453247191645, - "chi2": -171.547804010153, - "chi3": 56.527715278851, - "chi1": -83.2924858604914, - "chi4": null, - "chi5": null, - "a1": 123.150497716708, - "L4": 1.52630452486698, - "L5": 1.23113219242319, - "L2": 1.46783530774561, - "L3": 1.53299710043071, - "a7": 122.698345025133, - "L1": 1.33364163684156, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 164, - "omep": null, - "ss": "H", - "a3": 115.158339869869, - "bs": 86.0, - "a2": 110.641606755409, - "a5": 120.39126612082, - "sidechain_LEU": null, - "chainIndex": 832, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.164370236444 - } -}, -{ - "pk": 2399, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.439904821248, - "psi": -7.02755505416337, - "oldID": "73", - "bg": 15.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.1265676777536, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2401, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2397, - "terminal_flag": false, - "phi": -86.8286991550556, - "chainID": "B", - "sidechain_GLN": null, - "ome": -174.528278484648, - "chi2": -64.4140162879835, - "chi3": -164.19701951351, - "chi1": -53.8490721580003, - "chi4": -82.6628600307615, - "chi5": -0.108013958849983, - "a1": 120.793207692391, - "L4": 1.5232580417314, - "L5": 1.20775576786232, - "L2": 1.46933526738826, - "L3": 1.52094914555621, - "a7": 123.624066605223, - "L1": 1.32629514986477, - "sidechain_ARG": 116, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.488734791355, - "bs": 13.0, - "a2": 110.077686409309, - "a5": 119.861201657091, - "sidechain_LEU": null, - "chainIndex": 73, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.879819110895 - } -}, -{ - "pk": 2400, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.566932225032, - "psi": -38.3499812366561, - "oldID": "834", - "bg": 77.36, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2771614894306, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 133, - "sidechain_TRP": null, - "next": 2403, - "sidechain_SER": null, - "bm": 75.0, - "xpr": false, - "prev": 2398, - "terminal_flag": false, - "phi": -63.6031389026908, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.650571474868, - "chi2": null, - "chi3": null, - "chi1": -61.9359811646786, - "chi4": null, - "chi5": null, - "a1": 120.750455108739, - "L4": 1.51841744064974, - "L5": 1.23055980893353, - "L2": 1.45849073587225, - "L3": 1.54945166011654, - "a7": 122.807951811897, - "L1": 1.32818434093265, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.459929028997, - "bs": 76.0, - "a2": 111.989835777255, - "a5": 120.624862390417, - "sidechain_LEU": null, - "chainIndex": 833, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.544837248368 - } -}, -{ - "pk": 2401, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 113.225265671259, - "psi": 56.4573934445749, - "oldID": "74", - "bg": 15.88, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.5043187092991, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2402, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2399, - "terminal_flag": false, - "phi": 48.5710177150223, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.336275836376, - "chi2": null, - "chi3": null, - "chi1": -67.8043201058343, - "chi4": null, - "chi5": null, - "a1": 122.317578191333, - "L4": 1.52399482922964, - "L5": 1.2396723009937, - "L2": 1.45446085157911, - "L3": 1.5277471633061, - "a7": 124.489039223122, - "L1": 1.3255416502336, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.671578001847, - "bs": 16.0, - "a2": 110.867928042686, - "a5": 122.240602387437, - "sidechain_LEU": null, - "chainIndex": 74, - "sidechain_HIS": 72, - "h_bond_energy": 0.0, - "a4": 114.925499458911 - } -}, -{ - "pk": 2402, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.89790130676, - "psi": 135.147925490599, - "oldID": "75", - "bg": 17.66, - "sidechain_CYS": 44, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1249219906952, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2404, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2401, - "terminal_flag": false, - "phi": -43.5707864756603, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.538176871494, - "chi2": null, - "chi3": null, - "chi1": -64.9448535480498, - "chi4": null, - "chi5": null, - "a1": 123.646223840271, - "L4": 1.51429738717816, - "L5": 1.24057667009983, - "L2": 1.46476366274921, - "L3": 1.52491418067501, - "a7": 122.804169458616, - "L1": 1.33098115554962, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.932217947247, - "bs": 16.0, - "a2": 109.365472046151, - "a5": 121.29753987034, - "sidechain_LEU": null, - "chainIndex": 75, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.278611146484 - } -}, -{ - "pk": 2403, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.594690527309, - "psi": -37.3850836952065, - "oldID": "835", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2405, - "sidechain_SER": null, - "bm": 69.0, - "xpr": false, - "prev": 2400, - "terminal_flag": false, - "phi": -56.9039894088204, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.824495170766, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.253107895382, - "L4": 1.51898462125862, - "L5": 1.2268799863604, - "L2": 1.45301421049499, - "L3": null, - "a7": 122.670652465002, - "L1": 1.3278981609652, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.276269930689, - "bs": 0.0, - "a2": null, - "a5": 120.734134936756, - "sidechain_LEU": null, - "chainIndex": 834, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2404, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.521232273206, - "psi": -39.034806602544, - "oldID": "76", - "bg": 17.98, - "sidechain_CYS": null, - "sidechain_ILE": 135, - "protein": "1H0H", - "zeta": 33.9720848411488, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2406, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2402, - "terminal_flag": false, - "phi": -60.1069994482621, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.251980648184, - "chi2": 166.079580131576, - "chi3": null, - "chi1": -69.895036714028, - "chi4": null, - "chi5": null, - "a1": 120.711309827083, - "L4": 1.53042747143281, - "L5": 1.23752118693469, - "L2": 1.44860998082895, - "L3": 1.53399022213897, - "a7": 123.010013791408, - "L1": 1.33059823121991, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.850118025023, - "bs": 18.0, - "a2": 108.827632845883, - "a5": 121.461010552148, - "sidechain_LEU": null, - "chainIndex": 76, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.186171827068 - } -}, -{ - "pk": 2405, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.462445655377, - "psi": -42.6919851889859, - "oldID": "836", - "bg": 64.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6339629623129, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2407, - "sidechain_SER": null, - "bm": 59.0, - "xpr": false, - "prev": 2403, - "terminal_flag": false, - "phi": -73.4635694187604, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.859306430968, - "chi2": 68.3971476519291, - "chi3": null, - "chi1": 174.068717988622, - "chi4": null, - "chi5": null, - "a1": 121.517141312286, - "L4": 1.53371846057103, - "L5": 1.23098126251616, - "L2": 1.4538172792841, - "L3": 1.53013247865142, - "a7": 122.975913146407, - "L1": 1.32781218913085, - "sidechain_ARG": null, - "sidechain_TYR": 73, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.837146717951, - "bs": 65.0, - "a2": 109.625020670545, - "a5": 120.561405413092, - "sidechain_LEU": null, - "chainIndex": 835, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.354689319144 - } -}, -{ - "pk": 2406, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.226331551969, - "psi": 82.5768356768848, - "oldID": "77", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.6611031948219, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2408, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2404, - "terminal_flag": false, - "phi": -124.840758799762, - "chainID": "B", - "sidechain_GLN": null, - "ome": -169.471042324188, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.908929744259, - "L4": 1.5172420892139, - "L5": 1.21951690595197, - "L2": 1.45725052991937, - "L3": 1.51821108394093, - "a7": 123.165448860913, - "L1": 1.32653594639601, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 105.162317267302, - "bs": 15.0, - "a2": 109.854611382493, - "a5": 120.601330763364, - "sidechain_LEU": null, - "chainIndex": 77, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.924060727563 - } -}, -{ - "pk": 2407, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.752453376669, - "psi": -42.6192630987547, - "oldID": "837", - "bg": 50.49, - "sidechain_CYS": null, - "sidechain_ILE": 136, - "protein": "1TWF", - "zeta": 35.1951139629734, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2410, - "sidechain_SER": null, - "bm": 51.0, - "xpr": false, - "prev": 2405, - "terminal_flag": false, - "phi": -59.2169272970996, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.058866092373, - "chi2": -176.046389058605, - "chi3": null, - "chi1": -69.6307321878646, - "chi4": null, - "chi5": null, - "a1": 122.213869856225, - "L4": 1.52133494597172, - "L5": 1.22964855491663, - "L2": 1.45966107656914, - "L3": 1.55551679506118, - "a7": 123.282360647536, - "L1": 1.33172499556519, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.208813673817, - "bs": 50.0, - "a2": 111.641767492839, - "a5": 120.962172394264, - "sidechain_LEU": null, - "chainIndex": 836, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.011777466107 - } -}, -{ - "pk": 2408, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 137, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.076497820782, - "psi": 113.386018626269, - "oldID": "78", - "bg": 15.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.1084720681732, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2409, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2406, - "terminal_flag": false, - "phi": -68.0801334879487, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.81144722046, - "chi2": -32.3890395031696, - "chi3": 26.780172990612, - "chi1": 24.2382407502331, - "chi4": -11.3795607882878, - "chi5": null, - "a1": 122.088984103662, - "L4": 1.51749240444275, - "L5": 1.22699147141108, - "L2": 1.47210553993363, - "L3": 1.5383692610136, - "a7": 122.799424079897, - "L1": 1.32538039048782, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 8.78005404554885, - "ss": "-", - "a3": 116.453187568846, - "bs": 15.0, - "a2": 103.018716438554, - "a5": 120.123057002331, - "sidechain_LEU": null, - "chainIndex": 78, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.717105212322 - } -}, -{ - "pk": 2409, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 138, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 119.388696811884, - "psi": -28.8800110759026, - "oldID": "79", - "bg": 16.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.4108305573327, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2411, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2408, - "terminal_flag": false, - "phi": -66.9286865125054, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.157371061091, - "chi2": -12.5549469953404, - "chi3": 8.18039526566853, - "chi1": 11.6130957717736, - "chi4": -0.398751071312626, - "chi5": null, - "a1": 120.966611654965, - "L4": 1.53204498993379, - "L5": 1.21739432743847, - "L2": 1.46152361244118, - "L3": 1.5346114505288, - "a7": 122.819503040241, - "L1": 1.32563438550495, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -2.12432617974042, - "ss": "H", - "a3": 112.949682619285, - "bs": 15.0, - "a2": 104.380509892314, - "a5": 117.789331139404, - "sidechain_LEU": null, - "chainIndex": 79, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.093091065447 - } -}, -{ - "pk": 2410, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.755425578359, - "psi": -31.557753773823, - "oldID": "838", - "bg": 52.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.8265634791661, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2412, - "sidechain_SER": null, - "bm": 50.0, - "xpr": false, - "prev": 2407, - "terminal_flag": false, - "phi": -59.1535402058652, - "chainID": "A", - "sidechain_GLN": 93, - "ome": -178.419783300442, - "chi2": -81.3741187285779, - "chi3": -22.6035117263265, - "chi1": -160.277978492339, - "chi4": null, - "chi5": null, - "a1": 122.039975022078, - "L4": 1.51740189181783, - "L5": 1.22905703241246, - "L2": 1.45141240924374, - "L3": 1.52939876987538, - "a7": 122.935059001592, - "L1": 1.32861433883225, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.419732125232, - "bs": 53.0, - "a2": 109.893012307501, - "a5": 120.303360238995, - "sidechain_LEU": null, - "chainIndex": 837, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.735522538434 - } -}, -{ - "pk": 2411, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.180925940015, - "psi": -49.3733485004449, - "oldID": "80", - "bg": 17.21, - "sidechain_CYS": 45, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1696912486998, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2413, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2409, - "terminal_flag": false, - "phi": -59.2162499707222, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.317093360066, - "chi2": null, - "chi3": null, - "chi1": 55.2094031938232, - "chi4": null, - "chi5": null, - "a1": 119.716153466188, - "L4": 1.51148297972578, - "L5": 1.23721621395971, - "L2": 1.46198262756851, - "L3": 1.52103364331623, - "a7": 123.209952151394, - "L1": 1.32176046885347, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.725890218732, - "bs": 16.0, - "a2": 110.875007989937, - "a5": 120.602258184378, - "sidechain_LEU": null, - "chainIndex": 80, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.061638492927 - } -}, -{ - "pk": 2412, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.959825231857, - "psi": -23.020632972106, - "oldID": "839", - "bg": 69.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.0688002539559, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2414, - "sidechain_SER": null, - "bm": 53.0, - "xpr": false, - "prev": 2410, - "terminal_flag": false, - "phi": -85.4074532974231, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.210167948942, - "chi2": -142.699947123445, - "chi3": -169.811442182787, - "chi1": -59.927745774266, - "chi4": -168.29169870349, - "chi5": 0.378233346171519, - "a1": 120.77451532737, - "L4": 1.51611288185084, - "L5": 1.23091505264502, - "L2": 1.45519478672468, - "L3": 1.52940343054296, - "a7": 122.956295071973, - "L1": 1.32786636880296, - "sidechain_ARG": 117, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.852786368072, - "bs": 78.0, - "a2": 110.367578870703, - "a5": 121.083475383048, - "sidechain_LEU": null, - "chainIndex": 838, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.837221578852 - } -}, -{ - "pk": 2413, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.24705652866, - "psi": -40.6585061130525, - "oldID": "81", - "bg": 13.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4602571335968, - "sidechain_PHE": null, - "sidechain_LYS": 167, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2415, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2411, - "terminal_flag": false, - "phi": -65.0697028022963, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.664459753811, - "chi2": 172.668496753174, - "chi3": 160.707812031036, - "chi1": -176.485220964073, - "chi4": 56.824637492063, - "chi5": null, - "a1": 120.564636714432, - "L4": 1.51710405243143, - "L5": 1.24354767017878, - "L2": 1.47201449286088, - "L3": 1.51768447772287, - "a7": 122.351245038661, - "L1": 1.33207015221689, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.260092091742, - "bs": 15.0, - "a2": 111.822568680004, - "a5": 121.359821503205, - "sidechain_LEU": null, - "chainIndex": 81, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.449456183242 - } -}, -{ - "pk": 2414, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.12246497034, - "psi": -37.3718460067717, - "oldID": "840", - "bg": 61.41, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.2782908220487, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2416, - "sidechain_SER": null, - "bm": 47.0, - "xpr": false, - "prev": 2412, - "terminal_flag": false, - "phi": -80.7211237929967, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.746005563379, - "chi2": -65.3762327614337, - "chi3": 122.115383006573, - "chi1": -62.2284047467365, - "chi4": -178.140823065026, - "chi5": -0.0958097790912157, - "a1": 120.567896158173, - "L4": 1.52626847072172, - "L5": 1.22326417883739, - "L2": 1.43790639659256, - "L3": 1.52835283620436, - "a7": 122.192213933834, - "L1": 1.32121928805193, - "sidechain_ARG": 118, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 106.888152096332, - "bs": 71.0, - "a2": 109.438339015143, - "a5": 120.660375355582, - "sidechain_LEU": null, - "chainIndex": 839, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.340752468309 - } -}, -{ - "pk": 2415, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.658847531555, - "psi": -38.15125766907, - "oldID": "82", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8761396960272, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2417, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2413, - "terminal_flag": false, - "phi": -55.3700290883459, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.586419824781, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.875420915188, - "L4": 1.53649700519469, - "L5": 1.2208164280866, - "L2": 1.45161033144314, - "L3": 1.5228350130211, - "a7": 123.263135263024, - "L1": 1.3250027935042, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.560582112302, - "bs": 16.0, - "a2": 109.945940091252, - "a5": 121.073425674337, - "sidechain_LEU": null, - "chainIndex": 82, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.113286570307 - } -}, -{ - "pk": 2416, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.371157859495, - "psi": -45.7930926532254, - "oldID": "841", - "bg": 37.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6434920200486, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2418, - "sidechain_SER": null, - "bm": 38.0, - "xpr": false, - "prev": 2414, - "terminal_flag": false, - "phi": -61.9128432922452, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.289928173609, - "chi2": 179.993558807491, - "chi3": null, - "chi1": -75.8158307435427, - "chi4": null, - "chi5": null, - "a1": 120.288308521405, - "L4": 1.53413356387603, - "L5": 1.23708429903322, - "L2": 1.45238168120985, - "L3": 1.52382328058335, - "a7": 123.135561412472, - "L1": 1.32660564454899, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.533648325049, - "bs": 35.0, - "a2": 110.604795883847, - "a5": 120.493188286938, - "sidechain_LEU": 185, - "chainIndex": 840, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.069904552577 - } -}, -{ - "pk": 2417, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.036579803138, - "psi": -49.8333673792555, - "oldID": "83", - "bg": 10.53, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.4840063627252, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 134, - "sidechain_TRP": null, - "next": 2419, - "sidechain_SER": null, - "bm": 12.0, - "xpr": false, - "prev": 2415, - "terminal_flag": false, - "phi": -74.0034022387957, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.960061024637, - "chi2": null, - "chi3": null, - "chi1": -68.3345000342623, - "chi4": null, - "chi5": null, - "a1": 123.50322410565, - "L4": 1.51897163064393, - "L5": 1.22311928077842, - "L2": 1.46311155957772, - "L3": 1.52659961057803, - "a7": 122.997028774408, - "L1": 1.32716615627994, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.024194007775, - "bs": 10.0, - "a2": 108.331143059927, - "a5": 121.963108941096, - "sidechain_LEU": null, - "chainIndex": 83, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.914091049738 - } -}, -{ - "pk": 2418, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.999943171587, - "psi": -58.7957399198743, - "oldID": "842", - "bg": 26.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.5710375558704, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 163, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2420, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2416, - "terminal_flag": false, - "phi": -61.611730929124, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.429708215752, - "chi2": null, - "chi3": null, - "chi1": 169.847327958971, - "chi4": null, - "chi5": null, - "a1": 122.340206135037, - "L4": 1.5112417579094, - "L5": 1.22536872249351, - "L2": 1.46075742456495, - "L3": 1.56954096010305, - "a7": 123.53818403935, - "L1": 1.33071173193627, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.244724897239, - "bs": 27.0, - "a2": 111.620833500046, - "a5": 121.461151595907, - "sidechain_LEU": null, - "chainIndex": 841, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.978488131453 - } -}, -{ - "pk": 2419, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.804230002197, - "psi": -35.4531385401787, - "oldID": "84", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8813716772159, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2421, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2417, - "terminal_flag": false, - "phi": -59.7870542343102, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.200538775333, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.196976624267, - "L4": 1.51630484341823, - "L5": 1.22969040398883, - "L2": 1.45363029592572, - "L3": 1.53742141281208, - "a7": 123.851777134924, - "L1": 1.32035662590522, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.313354068212, - "bs": 14.0, - "a2": 109.735260590584, - "a5": 119.34194178408, - "sidechain_LEU": null, - "chainIndex": 84, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.005932534114 - } -}, -{ - "pk": 2420, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.281377422289, - "psi": -42.523891549275, - "oldID": "843", - "bg": 55.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.5003678440321, - "sidechain_PHE": null, - "sidechain_LYS": 168, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2422, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 2418, - "terminal_flag": false, - "phi": -45.4441972660649, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.720976901291, - "chi2": 178.742468512238, - "chi3": 156.31599982556, - "chi1": -177.516852286187, - "chi4": -175.446240009515, - "chi5": null, - "a1": 122.381345335328, - "L4": 1.54018479345911, - "L5": 1.22575653275571, - "L2": 1.44986502562525, - "L3": 1.53160771790527, - "a7": 121.863609066489, - "L1": 1.3233820183545, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.484349101308, - "bs": 57.0, - "a2": 108.12653964076, - "a5": 119.843752689874, - "sidechain_LEU": null, - "chainIndex": 842, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.230042708581 - } -}, -{ - "pk": 2421, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 139, - "a6": 117.11392295977, - "psi": -24.5223436517143, - "oldID": "85", - "bg": 15.91, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.383152303879, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2423, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2419, - "terminal_flag": false, - "phi": -58.5766370042724, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.582706246243, - "chi2": -5.03450560850863, - "chi3": null, - "chi1": -81.4627152428003, - "chi4": null, - "chi5": null, - "a1": 124.20569896359, - "L4": 1.55079768806488, - "L5": 1.23181432329473, - "L2": 1.46931119782018, - "L3": 1.52655696799875, - "a7": 121.181112152114, - "L1": 1.34047754187946, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.165443143494, - "bs": 16.0, - "a2": 110.036588744, - "a5": 121.70382900958, - "sidechain_LEU": null, - "chainIndex": 85, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.339027121983 - } -}, -{ - "pk": 2422, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.463022455022, - "psi": -30.4245339299031, - "oldID": "844", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1098711161541, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2424, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2420, - "terminal_flag": false, - "phi": -74.8803911160359, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.010609296362, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.681319482214, - "L4": 1.52465831695603, - "L5": 1.23513274606667, - "L2": 1.46125487405579, - "L3": 1.51715605231299, - "a7": 122.606687232725, - "L1": 1.32931516012264, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.713317741098, - "bs": 33.0, - "a2": 109.808298676669, - "a5": 120.927505261195, - "sidechain_LEU": null, - "chainIndex": 843, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.161203243518 - } -}, -{ - "pk": 2423, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.869644934231, - "psi": -18.0090083148383, - "oldID": "86", - "bg": 22.38, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.524123685941, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 62, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2425, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2421, - "terminal_flag": false, - "phi": -67.8094317636767, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.67129833925, - "chi2": -70.2443685137574, - "chi3": -165.339711410185, - "chi1": -57.2104623682515, - "chi4": null, - "chi5": null, - "a1": 119.943143283951, - "L4": 1.51467495719962, - "L5": 1.22361126075542, - "L2": 1.4635786473421, - "L3": 1.51398781590498, - "a7": 123.881991984321, - "L1": 1.32412669881383, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.327698439246, - "bs": 23.0, - "a2": 110.492793853555, - "a5": 120.206913195922, - "sidechain_LEU": null, - "chainIndex": 86, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.900684959152 - } -}, -{ - "pk": 2424, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.508376806409, - "psi": 5.16033231279005, - "oldID": "845", - "bg": 37.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.0517133914014, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2426, - "sidechain_SER": null, - "bm": 36.0, - "xpr": false, - "prev": 2422, - "terminal_flag": false, - "phi": -109.09414901546, - "chainID": "A", - "sidechain_GLN": null, - "ome": -176.580090991087, - "chi2": 175.700014315264, - "chi3": null, - "chi1": -45.044996726084, - "chi4": null, - "chi5": null, - "a1": 120.483602185073, - "L4": 1.52148714666128, - "L5": 1.22747443552958, - "L2": 1.45104033199581, - "L3": 1.53275415622605, - "a7": 123.103161084, - "L1": 1.32579353431637, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.576730345567, - "bs": 37.0, - "a2": 108.954915275105, - "a5": 120.372849409563, - "sidechain_LEU": 186, - "chainIndex": 844, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.729468826338 - } -}, -{ - "pk": 2425, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.851317376516, - "psi": -47.3420415015063, - "oldID": "87", - "bg": 23.82, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.7827260422187, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2427, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2423, - "terminal_flag": false, - "phi": -108.290240534317, - "chainID": "B", - "sidechain_GLN": null, - "ome": -173.479116427501, - "chi2": -178.767063904019, - "chi3": -44.8548023008548, - "chi1": -147.870865638367, - "chi4": null, - "chi5": null, - "a1": 122.700874130263, - "L4": 1.54362514782425, - "L5": 1.22616596137811, - "L2": 1.45316240515803, - "L3": 1.52722052667765, - "a7": 122.767597164066, - "L1": 1.32768305490061, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 165, - "omep": null, - "ss": "T", - "a3": 112.170188341289, - "bs": 24.0, - "a2": 108.784701750604, - "a5": 121.380141091426, - "sidechain_LEU": null, - "chainIndex": 87, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.100309771932 - } -}, -{ - "pk": 2426, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.045424235936, - "psi": -28.5383030886189, - "oldID": "846", - "bg": 54.86, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.8936290567825, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2429, - "sidechain_SER": null, - "bm": 41.0, - "xpr": false, - "prev": 2424, - "terminal_flag": false, - "phi": -56.6552104145573, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.964733814059, - "chi2": 177.63144257665, - "chi3": 63.2993922021784, - "chi1": -172.612816626328, - "chi4": null, - "chi5": null, - "a1": 122.760050239508, - "L4": 1.53545404339761, - "L5": 1.22703012702314, - "L2": 1.45969249062324, - "L3": 1.53021097373831, - "a7": 122.0016350568, - "L1": 1.32688523432274, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 166, - "omep": null, - "ss": "T", - "a3": 120.01094783187, - "bs": 55.0, - "a2": 108.752911232135, - "a5": 119.952127829227, - "sidechain_LEU": null, - "chainIndex": 845, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.968252758594 - } -}, -{ - "pk": 2427, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 140, - "a6": 116.815527974601, - "psi": 110.970861015854, - "oldID": "88", - "bg": 23.02, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.326298741533, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2428, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2425, - "terminal_flag": false, - "phi": -158.980012519507, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.343624462961, - "chi2": -3.61213539152172, - "chi3": null, - "chi1": 179.003824206109, - "chi4": null, - "chi5": null, - "a1": 122.743311611903, - "L4": 1.52532410013244, - "L5": 1.21677773819358, - "L2": 1.46259148109452, - "L3": 1.52949073391275, - "a7": 122.740625816937, - "L1": 1.32525748155846, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.170642524634, - "bs": 23.0, - "a2": 108.629713527943, - "a5": 120.437179344773, - "sidechain_LEU": null, - "chainIndex": 88, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.785890815839 - } -}, -{ - "pk": 2428, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.89980971171, - "psi": -9.70055987847194, - "oldID": "89", - "bg": 23.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6864517708607, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2430, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2427, - "terminal_flag": false, - "phi": -73.1170734397633, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.855175252097, - "chi2": -169.977812852976, - "chi3": -52.7468885210301, - "chi1": -55.6119028577815, - "chi4": null, - "chi5": null, - "a1": 120.785879899986, - "L4": 1.52836068538927, - "L5": 1.23695391983846, - "L2": 1.45747795392007, - "L3": 1.53182741059536, - "a7": 122.333616791739, - "L1": 1.32906181277892, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 167, - "omep": null, - "ss": "T", - "a3": 112.778455185711, - "bs": 25.0, - "a2": 110.896988771061, - "a5": 120.71565843899, - "sidechain_LEU": null, - "chainIndex": 89, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.143476424552 - } -}, -{ - "pk": 2429, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 141, - "a6": 117.640621973418, - "psi": 10.7520028336242, - "oldID": "847", - "bg": 35.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.4238324419364, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2431, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 2426, - "terminal_flag": false, - "phi": -101.815323110896, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.168957604912, - "chi2": -28.577466584484, - "chi3": null, - "chi1": 67.4795659936195, - "chi4": null, - "chi5": null, - "a1": 121.536525481126, - "L4": 1.52013751779405, - "L5": 1.22461863917373, - "L2": 1.46055567707046, - "L3": 1.51866258933763, - "a7": 122.15845509712, - "L1": 1.32571407866158, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.965826952445, - "bs": 36.0, - "a2": 109.363738913337, - "a5": 120.175092053868, - "sidechain_LEU": null, - "chainIndex": 846, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.115187645935 - } -}, -{ - "pk": 2430, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.113288320474, - "psi": -3.45002282616327, - "oldID": "90", - "bg": 19.94, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2931530347334, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2432, - "sidechain_SER": 115, - "bm": 18.0, - "xpr": false, - "prev": 2428, - "terminal_flag": false, - "phi": -96.0246519401792, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.977393238158, - "chi2": null, - "chi3": null, - "chi1": 74.0531702859139, - "chi4": null, - "chi5": null, - "a1": 120.050692607195, - "L4": 1.53229850855835, - "L5": 1.23323740806068, - "L2": 1.46106963624938, - "L3": 1.52951707418582, - "a7": 122.05255934091, - "L1": 1.32926639692771, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.244820940703, - "bs": 19.0, - "a2": 109.701191771772, - "a5": 120.83241570978, - "sidechain_LEU": null, - "chainIndex": 90, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.956260066855 - } -}, -{ - "pk": 2431, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.712075129502, - "psi": 123.564948302316, - "oldID": "848", - "bg": 26.19, - "sidechain_CYS": null, - "sidechain_ILE": 137, - "protein": "1TWF", - "zeta": 33.2777315998808, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2433, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2429, - "terminal_flag": false, - "phi": -88.155999790256, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.369385583346, - "chi2": 166.799069580568, - "chi3": null, - "chi1": -56.7361993046583, - "chi4": null, - "chi5": null, - "a1": 119.28236592285, - "L4": 1.50161869232951, - "L5": 1.21892336302063, - "L2": 1.43995327458438, - "L3": 1.50076311366735, - "a7": 123.878299797153, - "L1": 1.32023814620949, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.339989187067, - "bs": 27.0, - "a2": 110.259633948779, - "a5": 120.394657499846, - "sidechain_LEU": null, - "chainIndex": 847, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.057422020613 - } -}, -{ - "pk": 2432, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.067095052438, - "psi": -49.2546595550457, - "oldID": "91", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3546063926048, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2434, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2430, - "terminal_flag": false, - "phi": -66.1042384682951, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.430114424702, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.319799336869, - "L4": 1.52916597655913, - "L5": 1.21862814578576, - "L2": 1.46238745611718, - "L3": 1.52346841383567, - "a7": 123.068327201121, - "L1": 1.32816502857921, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.750409105011, - "bs": 15.0, - "a2": 110.090034905437, - "a5": 120.813827575264, - "sidechain_LEU": null, - "chainIndex": 91, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.580169790554 - } -}, -{ - "pk": 2433, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.881776359354, - "psi": 152.228889584002, - "oldID": "849", - "bg": 31.62, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.0252932863501, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 63, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2435, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2431, - "terminal_flag": false, - "phi": -134.848947988025, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.271846665716, - "chi2": -172.184154538181, - "chi3": -96.4992046773217, - "chi1": 160.510704701297, - "chi4": null, - "chi5": null, - "a1": 122.452945737457, - "L4": 1.53394329518414, - "L5": 1.23728295321869, - "L2": 1.45296760610246, - "L3": 1.51804422139824, - "a7": 122.028216945839, - "L1": 1.33120321030419, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 114.74244712965, - "bs": 32.0, - "a2": 107.730352072718, - "a5": 121.087294795859, - "sidechain_LEU": null, - "chainIndex": 848, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.059802255305 - } -}, -{ - "pk": 2434, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.852585138218, - "psi": 116.999742156758, - "oldID": "92", - "bg": 15.68, - "sidechain_CYS": null, - "sidechain_ILE": 138, - "protein": "1H0H", - "zeta": 35.0458032899045, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2436, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2432, - "terminal_flag": false, - "phi": -118.345023095853, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.938100968958, - "chi2": 165.976832962216, - "chi3": null, - "chi1": -63.8327832578456, - "chi4": null, - "chi5": null, - "a1": 122.623017562678, - "L4": 1.52018558630021, - "L5": 1.21876947002348, - "L2": 1.45391386962083, - "L3": 1.54898927503919, - "a7": 123.363335389417, - "L1": 1.33272750942575, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.985924746441, - "bs": 15.0, - "a2": 110.328001581852, - "a5": 119.606758678327, - "sidechain_LEU": null, - "chainIndex": 92, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.428274061428 - } -}, -{ - "pk": 2435, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.447330503638, - "psi": 122.432555671071, - "oldID": "850", - "bg": 18.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.838532345228, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 164, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2437, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2433, - "terminal_flag": false, - "phi": -84.0487044261167, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.643092254807, - "chi2": null, - "chi3": null, - "chi1": 168.468952357008, - "chi4": null, - "chi5": null, - "a1": 119.980877631058, - "L4": 1.53405381125523, - "L5": 1.22609636508777, - "L2": 1.46355046465843, - "L3": 1.54067553642079, - "a7": 122.23246384205, - "L1": 1.3284072596913, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.030747873808, - "bs": 21.0, - "a2": 112.720492798919, - "a5": 120.319292077668, - "sidechain_LEU": null, - "chainIndex": 849, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.006216755088 - } -}, -{ - "pk": 2436, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.064131364233, - "psi": 136.90606904446, - "oldID": "93", - "bg": 21.0, - "sidechain_CYS": null, - "sidechain_ILE": 139, - "protein": "1H0H", - "zeta": 34.5484250085799, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2438, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2434, - "terminal_flag": false, - "phi": -85.8712540694847, - "chainID": "B", - "sidechain_GLN": null, - "ome": 172.821713110388, - "chi2": 171.668485644234, - "chi3": null, - "chi1": -66.220231254905, - "chi4": null, - "chi5": null, - "a1": 122.455633921863, - "L4": 1.53102482950645, - "L5": 1.24641414051351, - "L2": 1.46195783418147, - "L3": 1.54160576660538, - "a7": 123.197301689304, - "L1": 1.3368522724956, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.656170250928, - "bs": 21.0, - "a2": 110.506968307806, - "a5": 120.726302664101, - "sidechain_LEU": null, - "chainIndex": 93, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.738370714576 - } -}, -{ - "pk": 2437, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.444920507575, - "psi": 176.333430231821, - "oldID": "851", - "bg": 30.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6819299604274, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2439, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2435, - "terminal_flag": false, - "phi": -92.6448514271009, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.45309146628, - "chi2": null, - "chi3": null, - "chi1": -72.9529496573025, - "chi4": null, - "chi5": null, - "a1": 121.563354739827, - "L4": 1.52368205939986, - "L5": 1.22209577184894, - "L2": 1.47188611873724, - "L3": 1.51947774998704, - "a7": 122.265208708919, - "L1": 1.33010022329318, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.246925687284, - "bs": 31.0, - "a2": 110.321521671578, - "a5": 120.243560163848, - "sidechain_LEU": null, - "chainIndex": 850, - "sidechain_HIS": 73, - "h_bond_energy": 0.0, - "a4": 108.666199619747 - } -}, -{ - "pk": 2438, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.254313309244, - "psi": 105.338670824918, - "oldID": "94", - "bg": 18.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.89859911002, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2440, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2436, - "terminal_flag": false, - "phi": -110.343497981239, - "chainID": "B", - "sidechain_GLN": null, - "ome": -172.228134723211, - "chi2": null, - "chi3": null, - "chi1": -161.718766652558, - "chi4": null, - "chi5": null, - "a1": 121.883608340131, - "L4": 1.53692036494854, - "L5": 1.23412578374497, - "L2": 1.4654767673446, - "L3": 1.52327834651494, - "a7": 122.6729566855, - "L1": 1.33360843562866, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.420398248689, - "bs": 18.0, - "a2": 110.659926735783, - "a5": 121.071955739604, - "sidechain_LEU": null, - "chainIndex": 94, - "sidechain_HIS": 74, - "h_bond_energy": 0.0, - "a4": 111.493741239313 - } -}, -{ - "pk": 2439, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.038857926806, - "psi": -17.9975220892192, - "oldID": "852", - "bg": 32.01, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 31.6375610323342, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2442, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 2437, - "terminal_flag": false, - "phi": -62.8662576559003, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.254695734488, - "chi2": -85.0010185356633, - "chi3": null, - "chi1": -75.7930086800659, - "chi4": null, - "chi5": null, - "a1": 118.163429602621, - "L4": 1.50481173520285, - "L5": 1.21915756336815, - "L2": 1.44714542075161, - "L3": 1.50960499416368, - "a7": 123.411064668024, - "L1": 1.32792007780829, - "sidechain_ARG": null, - "sidechain_TYR": 74, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 118.51521000509, - "bs": 30.0, - "a2": 111.238455612661, - "a5": 118.545549593562, - "sidechain_LEU": null, - "chainIndex": 851, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.698907646281 - } -}, -{ - "pk": 2440, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 142, - "a6": 116.219105956456, - "psi": 115.637684574066, - "oldID": "95", - "bg": 20.59, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2290295539991, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2441, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2438, - "terminal_flag": false, - "phi": -82.3911235047967, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.222381064861, - "chi2": 61.8343715208787, - "chi3": null, - "chi1": -177.590284724353, - "chi4": null, - "chi5": null, - "a1": 121.061568371005, - "L4": 1.50965434611758, - "L5": 1.22608805514782, - "L2": 1.44891048375517, - "L3": 1.52563612818166, - "a7": 123.042452482594, - "L1": 1.3300793674863, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.740149665901, - "bs": 20.0, - "a2": 109.985450752489, - "a5": 120.725121936729, - "sidechain_LEU": null, - "chainIndex": 95, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.072959639112 - } -}, -{ - "pk": 2441, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 144, - "a6": 117.162647521551, - "psi": -41.9472862046196, - "oldID": "96", - "bg": 26.36, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.154527002786, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2443, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2440, - "terminal_flag": false, - "phi": -60.3685414404148, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.153537760875, - "chi2": 79.479308145635, - "chi3": null, - "chi1": -173.455919725328, - "chi4": null, - "chi5": null, - "a1": 120.843305308354, - "L4": 1.54539909271851, - "L5": 1.22748795304333, - "L2": 1.44536899026033, - "L3": 1.52979880611054, - "a7": 122.33195690764, - "L1": 1.32683346125519, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 115.2594941946, - "bs": 26.0, - "a2": 112.124873787468, - "a5": 120.50161835574, - "sidechain_LEU": null, - "chainIndex": 96, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.835209041601 - } -}, -{ - "pk": 2442, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 143, - "a6": 116.961429041637, - "psi": 13.8292347043681, - "oldID": "853", - "bg": 33.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1180247810355, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2444, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2439, - "terminal_flag": false, - "phi": -89.8556411491988, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.902463542673, - "chi2": 23.0194336122716, - "chi3": null, - "chi1": 52.5229471344744, - "chi4": null, - "chi5": null, - "a1": 121.137488621167, - "L4": 1.5251166193695, - "L5": 1.22739050948996, - "L2": 1.4636766768941, - "L3": 1.53684406567513, - "a7": 122.973013572056, - "L1": 1.33168546822432, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.131518722155, - "bs": 32.0, - "a2": 111.443333637276, - "a5": 120.065174908906, - "sidechain_LEU": null, - "chainIndex": 852, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.897314585372 - } -}, -{ - "pk": 2443, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.229624519028, - "psi": -32.9771287130596, - "oldID": "97", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9552959297219, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2445, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 2441, - "terminal_flag": false, - "phi": -67.3830787714577, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.137262225357, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.551766046967, - "L4": 1.52585133076666, - "L5": 1.23077139326256, - "L2": 1.44952251278732, - "L3": 1.52230509308068, - "a7": 122.397185221797, - "L1": 1.32236390504458, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.30963230745, - "bs": 22.0, - "a2": 109.840693177664, - "a5": 120.369450967747, - "sidechain_LEU": null, - "chainIndex": 97, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.932438638387 - } -}, -{ - "pk": 2444, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 107, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.766419074173, - "psi": 7.65046586960519, - "oldID": "854", - "bg": 44.39, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.4362017074885, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2446, - "sidechain_SER": null, - "bm": 34.0, - "xpr": false, - "prev": 2442, - "terminal_flag": false, - "phi": 70.974671557957, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.909404370101, - "chi2": -81.2963958153043, - "chi3": null, - "chi1": -79.1470148947132, - "chi4": null, - "chi5": null, - "a1": 123.07733048566, - "L4": 1.52176986743265, - "L5": 1.22662093135852, - "L2": 1.47163054573497, - "L3": 1.53204675004601, - "a7": 123.188621609724, - "L1": 1.33305468743213, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.102133928891, - "bs": 42.0, - "a2": 111.182998756102, - "a5": 121.040837457086, - "sidechain_LEU": null, - "chainIndex": 853, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.034309684226 - } -}, -{ - "pk": 2445, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.906488550218, - "psi": -22.5368031161147, - "oldID": "98", - "bg": 18.34, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2559868414874, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 135, - "sidechain_TRP": null, - "next": 2447, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2443, - "terminal_flag": false, - "phi": -112.446345298235, - "chainID": "B", - "sidechain_GLN": null, - "ome": -173.456505111601, - "chi2": null, - "chi3": null, - "chi1": 54.3745686668515, - "chi4": null, - "chi5": null, - "a1": 119.816657747732, - "L4": 1.5077500882492, - "L5": 1.22410355613601, - "L2": 1.4459559818926, - "L3": 1.53393001395809, - "a7": 122.790884639985, - "L1": 1.3294491719625, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.926494083229, - "bs": 18.0, - "a2": 110.557536543004, - "a5": 120.301697230125, - "sidechain_LEU": null, - "chainIndex": 98, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.837667793964 - } -}, -{ - "pk": 2446, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.083297463714, - "psi": 147.368227208967, - "oldID": "855", - "bg": 39.66, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.2171562442948, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 136, - "sidechain_TRP": null, - "next": 2448, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2444, - "terminal_flag": false, - "phi": -87.7453073540656, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.219520719099, - "chi2": null, - "chi3": null, - "chi1": -134.334564250985, - "chi4": null, - "chi5": null, - "a1": 122.426916693047, - "L4": 1.53747616373095, - "L5": 1.23276216556505, - "L2": 1.45322106487621, - "L3": 1.5685043547974, - "a7": 122.390470922517, - "L1": 1.32493404160682, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.974866763418, - "bs": 35.0, - "a2": 109.583912075154, - "a5": 121.515176636168, - "sidechain_LEU": null, - "chainIndex": 854, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.95946108847 - } -}, -{ - "pk": 2447, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.3034449152, - "psi": 2.24287550221693, - "oldID": "99", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2449, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2445, - "terminal_flag": false, - "phi": 87.2464762762302, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.504953501211, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.652380150391, - "L4": 1.51962098001409, - "L5": 1.23458505826885, - "L2": 1.44796880191145, - "L3": null, - "a7": 122.027451259483, - "L1": 1.32307679839448, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.811271692961, - "bs": 0.0, - "a2": null, - "a5": 120.662757518422, - "sidechain_LEU": null, - "chainIndex": 99, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2448, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.93971896418, - "psi": 119.937760460857, - "oldID": "856", - "bg": 43.27, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.1375040871294, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 137, - "sidechain_TRP": null, - "next": 2451, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2446, - "terminal_flag": false, - "phi": -105.376638884511, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.384738562399, - "chi2": null, - "chi3": null, - "chi1": -54.8936969311562, - "chi4": null, - "chi5": null, - "a1": 120.508491732465, - "L4": 1.51912213934876, - "L5": 1.23301074534174, - "L2": 1.45284675300363, - "L3": 1.54417729817759, - "a7": 122.747408578286, - "L1": 1.32026149679834, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.543930262271, - "bs": 40.0, - "a2": 110.722513489741, - "a5": 120.291150408878, - "sidechain_LEU": null, - "chainIndex": 855, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.200547082421 - } -}, -{ - "pk": 2449, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.436655866997, - "psi": 137.728598741063, - "oldID": "100", - "bg": 17.96, - "sidechain_CYS": 46, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7671360976118, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2450, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2447, - "terminal_flag": false, - "phi": -64.9727370136039, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.416399115902, - "chi2": null, - "chi3": null, - "chi1": 172.259685577282, - "chi4": null, - "chi5": null, - "a1": 119.464335364931, - "L4": 1.52203760161364, - "L5": 1.22391163510151, - "L2": 1.45253118477551, - "L3": 1.53700265653629, - "a7": 123.766635854133, - "L1": 1.33462710206196, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.275065756334, - "bs": 17.0, - "a2": 112.421757335637, - "a5": 120.779956596896, - "sidechain_LEU": null, - "chainIndex": 100, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.417122523972 - } -}, -{ - "pk": 2450, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.008645237966, - "psi": 109.748063169863, - "oldID": "101", - "bg": 16.99, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9424118371849, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 165, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2452, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2449, - "terminal_flag": false, - "phi": -103.983423994636, - "chainID": "B", - "sidechain_GLN": null, - "ome": -170.235895649321, - "chi2": null, - "chi3": null, - "chi1": 173.635923167624, - "chi4": null, - "chi5": null, - "a1": 122.936144438433, - "L4": 1.50977876956002, - "L5": 1.22198819534123, - "L2": 1.45400701901584, - "L3": 1.53984113360322, - "a7": 122.840506104434, - "L1": 1.32974679472684, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 103.312578738523, - "bs": 16.0, - "a2": 111.372773284961, - "a5": 121.130087612747, - "sidechain_LEU": null, - "chainIndex": 101, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.043416255902 - } -}, -{ - "pk": 2451, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.688149527579, - "psi": 159.027904337975, - "oldID": "857", - "bg": 37.72, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.1280921627896, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2453, - "sidechain_SER": null, - "bm": 33.0, - "xpr": false, - "prev": 2448, - "terminal_flag": false, - "phi": -138.231492660275, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.877867660548, - "chi2": -170.001420731059, - "chi3": -140.053517158592, - "chi1": -66.9346943543924, - "chi4": -160.797374933285, - "chi5": 0.0731017383638183, - "a1": 121.385375848729, - "L4": 1.52129196021619, - "L5": 1.23060062758182, - "L2": 1.46182236592606, - "L3": 1.52357086324239, - "a7": 123.628150060584, - "L1": 1.32871759939557, - "sidechain_ARG": 119, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 115.043282072058, - "bs": 37.0, - "a2": 109.791825567983, - "a5": 120.6835875839, - "sidechain_LEU": null, - "chainIndex": 856, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.156309108864 - } -}, -{ - "pk": 2452, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.931767859599, - "psi": 109.496392950372, - "oldID": "102", - "bg": 18.76, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6130908830716, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2454, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2450, - "terminal_flag": false, - "phi": -110.736826746114, - "chainID": "B", - "sidechain_GLN": null, - "ome": 173.590519205463, - "chi2": 60.1967626314815, - "chi3": null, - "chi1": 177.535851335176, - "chi4": null, - "chi5": null, - "a1": 120.958203386616, - "L4": 1.52072433674795, - "L5": 1.23163558058808, - "L2": 1.43741205224314, - "L3": 1.5276499920698, - "a7": 122.549683696559, - "L1": 1.31828038177147, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.959529830886, - "bs": 18.0, - "a2": 108.261016253016, - "a5": 120.500249682546, - "sidechain_LEU": 187, - "chainIndex": 102, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.921849012653 - } -}, -{ - "pk": 2453, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 108, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.272945927805, - "psi": 173.014899164337, - "oldID": "858", - "bg": 30.15, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.3230603560431, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2455, - "sidechain_SER": null, - "bm": 35.0, - "xpr": false, - "prev": 2451, - "terminal_flag": false, - "phi": -94.714353721449, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.645748996212, - "chi2": -166.636672270021, - "chi3": null, - "chi1": 64.0211519656762, - "chi4": null, - "chi5": null, - "a1": 123.244824437714, - "L4": 1.52113737943872, - "L5": 1.22515405380988, - "L2": 1.47375582453399, - "L3": 1.55172750410958, - "a7": 122.861539442887, - "L1": 1.33711337176341, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.925525531612, - "bs": 30.0, - "a2": 111.639565626288, - "a5": 119.865087300764, - "sidechain_LEU": null, - "chainIndex": 857, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.681580556636 - } -}, -{ - "pk": 2454, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.387148969824, - "psi": 129.825913214782, - "oldID": "103", - "bg": 16.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2906899634474, - "sidechain_PHE": 96, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2456, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2452, - "terminal_flag": false, - "phi": -75.5902667155868, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.806680941292, - "chi2": 41.5455930316492, - "chi3": null, - "chi1": -87.8485974487033, - "chi4": null, - "chi5": null, - "a1": 118.980218538543, - "L4": 1.51645632853103, - "L5": 1.23314691686476, - "L2": 1.45539975369524, - "L3": 1.52871913069197, - "a7": 122.984205310131, - "L1": 1.33162606337956, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.962253427847, - "bs": 16.0, - "a2": 112.741304094894, - "a5": 120.622776422865, - "sidechain_LEU": null, - "chainIndex": 103, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.545399948201 - } -}, -{ - "pk": 2455, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.304406480141, - "psi": -29.0745546966405, - "oldID": "859", - "bg": 43.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.1068402132582, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2457, - "sidechain_SER": 116, - "bm": 39.0, - "xpr": false, - "prev": 2453, - "terminal_flag": false, - "phi": -50.593005545098, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.941009882, - "chi2": null, - "chi3": null, - "chi1": 53.2982394788645, - "chi4": null, - "chi5": null, - "a1": 122.005785260764, - "L4": 1.52747898766154, - "L5": 1.22354869773309, - "L2": 1.46349544168729, - "L3": 1.53082774053094, - "a7": 122.912230618896, - "L1": 1.32955947331532, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 115.898330264203, - "bs": 41.0, - "a2": 109.74928968276, - "a5": 119.781985304122, - "sidechain_LEU": null, - "chainIndex": 858, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.53454567921 - } -}, -{ - "pk": 2456, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.333596698349, - "psi": 167.44424785433, - "oldID": "104", - "bg": 18.22, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.2656504682595, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 138, - "sidechain_TRP": null, - "next": 2458, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2454, - "terminal_flag": false, - "phi": -108.530286658462, - "chainID": "B", - "sidechain_GLN": null, - "ome": 173.902278341055, - "chi2": null, - "chi3": null, - "chi1": 71.6465322766004, - "chi4": null, - "chi5": null, - "a1": 120.858444670449, - "L4": 1.52727187249524, - "L5": 1.22279891515424, - "L2": 1.4488645611035, - "L3": 1.55466875381436, - "a7": 121.648857661343, - "L1": 1.31544489520035, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.603044385313, - "bs": 18.0, - "a2": 110.154866485052, - "a5": 121.016765474767, - "sidechain_LEU": null, - "chainIndex": 104, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.627533348761 - } -}, -{ - "pk": 2457, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.904517931847, - "psi": -14.8671519666843, - "oldID": "860", - "bg": 50.63, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.463116525046, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2460, - "sidechain_SER": null, - "bm": 39.0, - "xpr": false, - "prev": 2455, - "terminal_flag": false, - "phi": -76.4051714658074, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.74791370854, - "chi2": 167.025143694458, - "chi3": null, - "chi1": -53.037021359312, - "chi4": null, - "chi5": null, - "a1": 121.583436407997, - "L4": 1.53206382015163, - "L5": 1.23016959796681, - "L2": 1.46394163835405, - "L3": 1.53523463647195, - "a7": 122.571153204196, - "L1": 1.33010304638971, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 108.576686801467, - "bs": 49.0, - "a2": 110.535773111979, - "a5": 121.524320059757, - "sidechain_LEU": 188, - "chainIndex": 859, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.830975446078 - } -}, -{ - "pk": 2458, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 139, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.371790862945, - "psi": -21.1847676499146, - "oldID": "105", - "bg": 21.27, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.382599443972, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2459, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2456, - "terminal_flag": false, - "phi": -58.8897726794587, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.965435458778, - "chi2": 41.5262698224188, - "chi3": -37.2167341720127, - "chi1": -28.5414628078704, - "chi4": 19.941073240196, - "chi5": null, - "a1": 120.749106585459, - "L4": 1.52885670263769, - "L5": 1.23647518897497, - "L2": 1.46813374821132, - "L3": 1.52499768775071, - "a7": 123.38146330431, - "L1": 1.32257444703962, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -8.0960019730952, - "ss": "G", - "a3": 112.06063440034, - "bs": 20.0, - "a2": 103.154234053311, - "a5": 118.241634742381, - "sidechain_LEU": null, - "chainIndex": 105, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.508574445327 - } -}, -{ - "pk": 2459, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.446829875511, - "psi": -16.634455581005, - "oldID": "106", - "bg": 23.14, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7502475671496, - "sidechain_PHE": null, - "sidechain_LYS": 169, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2462, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2458, - "terminal_flag": false, - "phi": -55.8939961109521, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.633974572364, - "chi2": -104.800009017509, - "chi3": -131.09714784526, - "chi1": -70.6727698187177, - "chi4": -32.047006845383, - "chi5": null, - "a1": 120.747812672399, - "L4": 1.5240607035777, - "L5": 1.23303690604196, - "L2": 1.45046494395251, - "L3": 1.53401160692501, - "a7": 122.284189821021, - "L1": 1.3298466731843, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 111.160963007157, - "bs": 25.0, - "a2": 112.084283143019, - "a5": 120.265892583887, - "sidechain_LEU": null, - "chainIndex": 106, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.534237828737 - } -}, -{ - "pk": 2460, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.236175561158, - "psi": 12.4177448656657, - "oldID": "861", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2461, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2457, - "terminal_flag": false, - "phi": 90.8345009520904, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.915468532065, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.09575294897, - "L4": 1.51968674489771, - "L5": 1.23128460289243, - "L2": 1.44511615349901, - "L3": null, - "a7": 122.31585567389, - "L1": 1.32622444932551, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.629385534596, - "bs": 0.0, - "a2": null, - "a5": 120.434336212923, - "sidechain_LEU": null, - "chainIndex": 860, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2461, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 109, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.186729884618, - "psi": 143.730083052453, - "oldID": "862", - "bg": 34.17, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4299959504799, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2463, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2460, - "terminal_flag": false, - "phi": -72.6973957159604, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.901767612604, - "chi2": -27.359590655782, - "chi3": null, - "chi1": -72.6692241869513, - "chi4": null, - "chi5": null, - "a1": 119.869875071408, - "L4": 1.52589152953648, - "L5": 1.22157661538148, - "L2": 1.45784370853378, - "L3": 1.51731138997046, - "a7": 122.180564760523, - "L1": 1.32947210069702, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.568928964343, - "bs": 32.0, - "a2": 110.80845389406, - "a5": 120.62318607194, - "sidechain_LEU": null, - "chainIndex": 861, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.39211745212 - } -}, -{ - "pk": 2462, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.043165945701, - "psi": -24.0719679402816, - "oldID": "107", - "bg": 18.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1520337796921, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 139, - "sidechain_TRP": null, - "next": 2466, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2459, - "terminal_flag": false, - "phi": -59.2447304199718, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.04034626621, - "chi2": null, - "chi3": null, - "chi1": 47.2077694334697, - "chi4": null, - "chi5": null, - "a1": 119.423158833188, - "L4": 1.51931145569087, - "L5": 1.22601047133482, - "L2": 1.45817974418448, - "L3": 1.54121417392128, - "a7": 122.890254516773, - "L1": 1.32967941416367, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.149147701951, - "bs": 18.0, - "a2": 112.708781165331, - "a5": 120.064896643416, - "sidechain_LEU": null, - "chainIndex": 107, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.042385790713 - } -}, -{ - "pk": 2463, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.492074401548, - "psi": 124.546328737538, - "oldID": "863", - "bg": 25.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.5061518128185, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 166, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2464, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2461, - "terminal_flag": false, - "phi": -81.8419101234378, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.423327606274, - "chi2": null, - "chi3": null, - "chi1": 169.47547549666, - "chi4": null, - "chi5": null, - "a1": 119.413149709927, - "L4": 1.51482538968868, - "L5": 1.22874667096664, - "L2": 1.44732947818912, - "L3": 1.5437051842107, - "a7": 122.461099262934, - "L1": 1.32526111069375, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.067661632601, - "bs": 25.0, - "a2": 111.197247545301, - "a5": 121.019501811691, - "sidechain_LEU": null, - "chainIndex": 862, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.92843481437 - } -}, -{ - "pk": 2464, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.483654595258, - "psi": -35.1314746151606, - "oldID": "864", - "bg": 30.86, - "sidechain_CYS": null, - "sidechain_ILE": 140, - "protein": "1TWF", - "zeta": 33.2716308083097, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2465, - "sidechain_SER": null, - "bm": 27.0, - "xpr": false, - "prev": 2463, - "terminal_flag": false, - "phi": -99.6311825401355, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.50476594308, - "chi2": -163.471051325811, - "chi3": null, - "chi1": -65.8668295838076, - "chi4": null, - "chi5": null, - "a1": 119.210860987545, - "L4": 1.51120072594178, - "L5": 1.23661454492449, - "L2": 1.43986161720935, - "L3": 1.50369580439157, - "a7": 124.507599724429, - "L1": 1.32677264833187, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.809870064028, - "bs": 31.0, - "a2": 111.704059723077, - "a5": 119.981712377221, - "sidechain_LEU": null, - "chainIndex": 863, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.762014044315 - } -}, -{ - "pk": 2465, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 118.127679896662, - "psi": 128.472328804626, - "oldID": "865", - "bg": 27.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3334575062495, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2468, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2464, - "terminal_flag": false, - "phi": -146.25467766384, - "chainID": "A", - "sidechain_GLN": 94, - "ome": -178.506601724584, - "chi2": -174.063466414192, - "chi3": -44.3647443995202, - "chi1": -61.549088842235, - "chi4": null, - "chi5": null, - "a1": 124.466131729432, - "L4": 1.54086822771831, - "L5": 1.22900572597822, - "L2": 1.47005067222745, - "L3": 1.54293083136497, - "a7": 121.460858969076, - "L1": 1.33331202915499, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.180596619607, - "bs": 28.0, - "a2": 111.200018680063, - "a5": 120.411351742938, - "sidechain_LEU": null, - "chainIndex": 864, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.701108513004 - } -}, -{ - "pk": 2466, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.346999735784, - "psi": -30.6525009535627, - "oldID": "108", - "bg": 22.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3295116546345, - "sidechain_PHE": null, - "sidechain_LYS": 170, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2467, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2462, - "terminal_flag": false, - "phi": -55.1520342577077, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.502197376584, - "chi2": 176.344347848176, - "chi3": 159.201523570474, - "chi1": -167.639305946803, - "chi4": 133.570202193917, - "chi5": null, - "a1": 121.605520074898, - "L4": 1.53933178700211, - "L5": 1.24279031324841, - "L2": 1.45837153614048, - "L3": 1.53586921536528, - "a7": 122.987153272443, - "L1": 1.32554259560456, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.918609700293, - "bs": 23.0, - "a2": 108.947941829092, - "a5": 120.664639778831, - "sidechain_LEU": null, - "chainIndex": 108, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.449818549893 - } -}, -{ - "pk": 2467, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 145, - "a6": 117.991810271067, - "psi": -0.779523099442965, - "oldID": "109", - "bg": 22.83, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.6869593230666, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2469, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2466, - "terminal_flag": false, - "phi": -89.2344148400434, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.12537369474, - "chi2": -30.3769149588381, - "chi3": null, - "chi1": -56.1686507324858, - "chi4": null, - "chi5": null, - "a1": 122.348662625674, - "L4": 1.51262997850656, - "L5": 1.2285891087497, - "L2": 1.4662209801189, - "L3": 1.53905064799545, - "a7": 122.18867498354, - "L1": 1.33165754807137, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 114.15612379794, - "bs": 22.0, - "a2": 112.085744678519, - "a5": 119.683077590912, - "sidechain_LEU": null, - "chainIndex": 109, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.518154267264 - } -}, -{ - "pk": 2468, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.843151597738, - "psi": -19.1436909462308, - "oldID": "866", - "bg": 27.98, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 31.648856858531, - "sidechain_PHE": 97, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2470, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 2465, - "terminal_flag": false, - "phi": -65.882975797055, - "chainID": "A", - "sidechain_GLN": null, - "ome": 175.659731941697, - "chi2": 81.6644798403488, - "chi3": null, - "chi1": -70.1801057727765, - "chi4": null, - "chi5": null, - "a1": 118.993256756725, - "L4": 1.52579121928985, - "L5": 1.22876985784722, - "L2": 1.45343239871517, - "L3": 1.52617136302165, - "a7": 122.749732765874, - "L1": 1.3239537327083, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.52136194292, - "bs": 26.0, - "a2": 109.467627901379, - "a5": 121.379564246938, - "sidechain_LEU": null, - "chainIndex": 865, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 114.020538717288 - } -}, -{ - "pk": 2469, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.117660679688, - "psi": 131.201947621443, - "oldID": "110", - "bg": 16.93, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5873937505565, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2471, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2467, - "terminal_flag": false, - "phi": -67.2777560955089, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.757686729865, - "chi2": 171.78944064461, - "chi3": null, - "chi1": -67.6271945738676, - "chi4": null, - "chi5": null, - "a1": 119.749016387947, - "L4": 1.53430466922592, - "L5": 1.23313971672426, - "L2": 1.45257917449057, - "L3": 1.52795566144019, - "a7": 121.6803318406, - "L1": 1.32140537526245, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.862139564304, - "bs": 16.0, - "a2": 110.553694502272, - "a5": 121.187061180102, - "sidechain_LEU": 189, - "chainIndex": 110, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.033559936486 - } -}, -{ - "pk": 2470, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.970712142578, - "psi": 138.909202696476, - "oldID": "867", - "bg": 24.44, - "sidechain_CYS": null, - "sidechain_ILE": 141, - "protein": "1TWF", - "zeta": 33.489831927013, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2472, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2468, - "terminal_flag": false, - "phi": -153.539554285251, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.894060915439, - "chi2": 174.685608602593, - "chi3": null, - "chi1": -155.74390788101, - "chi4": null, - "chi5": null, - "a1": 121.929612433327, - "L4": 1.52537071850236, - "L5": 1.238295992966, - "L2": 1.44720370840564, - "L3": 1.56516716711564, - "a7": 123.617995701624, - "L1": 1.32217456353162, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 101.890990080067, - "bs": 26.0, - "a2": 112.101630521945, - "a5": 120.384595397408, - "sidechain_LEU": null, - "chainIndex": 866, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.746549552254 - } -}, -{ - "pk": 2471, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.18823090938, - "psi": -32.3035937465945, - "oldID": "111", - "bg": 25.8, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.3699791705996, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2473, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2469, - "terminal_flag": false, - "phi": -78.6401065983078, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.474544312329, - "chi2": 179.381048731467, - "chi3": 36.9763629175909, - "chi1": 71.1125189073387, - "chi4": null, - "chi5": null, - "a1": 117.982532267355, - "L4": 1.53868559518839, - "L5": 1.229228121647, - "L2": 1.45276760092379, - "L3": 1.53233271971872, - "a7": 122.762684551616, - "L1": 1.31930978223469, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 168, - "omep": null, - "ss": "S", - "a3": 110.029679089551, - "bs": 26.0, - "a2": 112.521270776235, - "a5": 120.021241748018, - "sidechain_LEU": null, - "chainIndex": 111, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.333673859015 - } -}, -{ - "pk": 2472, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.57687029726, - "psi": 132.756275589708, - "oldID": "868", - "bg": 26.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.585971709455, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2474, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2470, - "terminal_flag": false, - "phi": -58.4496174731245, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.955419065891, - "chi2": 53.9489616037807, - "chi3": null, - "chi1": 176.00046030736, - "chi4": null, - "chi5": null, - "a1": 122.865280664445, - "L4": 1.51782368372976, - "L5": 1.23881464494216, - "L2": 1.46943415776365, - "L3": 1.52690309128457, - "a7": 124.067901585663, - "L1": 1.32955509523272, - "sidechain_ARG": null, - "sidechain_TYR": 75, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.755753801485, - "bs": 24.0, - "a2": 109.749396116575, - "a5": 120.353800700438, - "sidechain_LEU": null, - "chainIndex": 867, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.662202033414 - } -}, -{ - "pk": 2473, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 146, - "a6": 116.498010629348, - "psi": 76.6013615475378, - "oldID": "112", - "bg": 22.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0591930647902, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2475, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2471, - "terminal_flag": false, - "phi": -113.241663414821, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.856915418412, - "chi2": 11.3563776768214, - "chi3": null, - "chi1": -173.690264893173, - "chi4": null, - "chi5": null, - "a1": 120.483010456673, - "L4": 1.52729631585968, - "L5": 1.22789247719021, - "L2": 1.45537050881875, - "L3": 1.52439646160906, - "a7": 121.024220096014, - "L1": 1.33501463335068, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.830501720168, - "bs": 22.0, - "a2": 110.53113150347, - "a5": 122.460306808365, - "sidechain_LEU": null, - "chainIndex": 112, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.568485032251 - } -}, -{ - "pk": 2474, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.486592611978, - "psi": 28.2720082937277, - "oldID": "869", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2476, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 2472, - "terminal_flag": false, - "phi": 49.0779130068046, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.78760653852, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.845335985141, - "L4": 1.52164838044916, - "L5": 1.23779226884785, - "L2": 1.46054462294142, - "L3": null, - "a7": 124.027040232587, - "L1": 1.33685832592846, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 114.332387555645, - "bs": 0.0, - "a2": null, - "a5": 120.472179405634, - "sidechain_LEU": null, - "chainIndex": 868, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2475, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.131787907699, - "psi": -27.589079867308, - "oldID": "113", - "bg": 23.64, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3613276280159, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2477, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2473, - "terminal_flag": false, - "phi": -76.1549715781085, - "chainID": "B", - "sidechain_GLN": null, - "ome": -174.727729655308, - "chi2": 83.954785226759, - "chi3": null, - "chi1": 75.5055875671281, - "chi4": null, - "chi5": null, - "a1": 117.459393234786, - "L4": 1.53409737322446, - "L5": 1.220576943485, - "L2": 1.44500580782678, - "L3": 1.5170758058371, - "a7": 122.099078539399, - "L1": 1.3107144156045, - "sidechain_ARG": null, - "sidechain_TYR": 76, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.292603453987, - "bs": 26.0, - "a2": 110.462998139197, - "a5": 119.756926483982, - "sidechain_LEU": null, - "chainIndex": 113, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.025487280481 - } -}, -{ - "pk": 2476, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.318829878576, - "psi": 16.4001617012919, - "oldID": "870", - "bg": 19.42, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.4471673928333, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2478, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2474, - "terminal_flag": false, - "phi": 53.4250021203737, - "chainID": "A", - "sidechain_GLN": null, - "ome": 177.683990544758, - "chi2": 172.126392136857, - "chi3": -2.70677047250689, - "chi1": -37.907432349987, - "chi4": null, - "chi5": null, - "a1": 125.672844395922, - "L4": 1.51882762790417, - "L5": 1.2218952413077, - "L2": 1.46345336537366, - "L3": 1.53107611511036, - "a7": 122.504415570253, - "L1": 1.33861540789236, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 169, - "omep": null, - "ss": "G", - "a3": 114.301671071302, - "bs": 19.0, - "a2": 110.360101419656, - "a5": 121.173645748978, - "sidechain_LEU": null, - "chainIndex": 869, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.124952728634 - } -}, -{ - "pk": 2477, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.563548341528, - "psi": -37.5015891607263, - "oldID": "114", - "bg": 22.81, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.3157903171561, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2479, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2475, - "terminal_flag": false, - "phi": -60.8400049171353, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.123189321845, - "chi2": 176.836276573079, - "chi3": 68.8392760200985, - "chi1": -65.6703815975142, - "chi4": null, - "chi5": null, - "a1": 119.508419012005, - "L4": 1.5150352132502, - "L5": 1.24011692678699, - "L2": 1.45198011890707, - "L3": 1.5219179501569, - "a7": 123.930171990631, - "L1": 1.32983479150067, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 170, - "omep": null, - "ss": "H", - "a3": 112.008380866962, - "bs": 24.0, - "a2": 111.736607832125, - "a5": 120.505588679893, - "sidechain_LEU": null, - "chainIndex": 114, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.710616222577 - } -}, -{ - "pk": 2478, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 147, - "a6": 116.443342271692, - "psi": -5.48659846595842, - "oldID": "871", - "bg": 26.78, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1199952955847, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2480, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2476, - "terminal_flag": false, - "phi": -144.7084395104, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.934927309376, - "chi2": 23.377480381633, - "chi3": null, - "chi1": 64.4972986145073, - "chi4": null, - "chi5": null, - "a1": 121.190518357755, - "L4": 1.5353876447884, - "L5": 1.21874530997586, - "L2": 1.46549238906043, - "L3": 1.53059290636887, - "a7": 122.963233173005, - "L1": 1.32379472697767, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.847359111994, - "bs": 24.0, - "a2": 111.024191373386, - "a5": 120.586382997339, - "sidechain_LEU": null, - "chainIndex": 870, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.274421710753 - } -}, -{ - "pk": 2479, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.262325776628, - "psi": -33.9410751436688, - "oldID": "115", - "bg": 19.29, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4073669640354, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2481, - "sidechain_SER": 117, - "bm": 16.0, - "xpr": false, - "prev": 2477, - "terminal_flag": false, - "phi": -67.7800994376101, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.827639609652, - "chi2": null, - "chi3": null, - "chi1": -75.9110459845541, - "chi4": null, - "chi5": null, - "a1": 121.842772915735, - "L4": 1.51455200447556, - "L5": 1.22931705643921, - "L2": 1.44617680235734, - "L3": 1.53017841457551, - "a7": 123.718302869868, - "L1": 1.32812368116894, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 109.512203607849, - "bs": 18.0, - "a2": 110.923529413473, - "a5": 120.004169583868, - "sidechain_LEU": null, - "chainIndex": 115, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.927154592488 - } -}, -{ - "pk": 2480, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.420605345504, - "psi": 31.7085215841603, - "oldID": "872", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2482, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2478, - "terminal_flag": false, - "phi": 59.2008234495668, - "chainID": "A", - "sidechain_GLN": null, - "ome": -177.822733700205, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.144438875487, - "L4": 1.51642798254089, - "L5": 1.22265851218937, - "L2": 1.45537316026732, - "L3": null, - "a7": 122.560026339988, - "L1": 1.33240150325667, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.050979151479, - "bs": 0.0, - "a2": null, - "a5": 120.987955412044, - "sidechain_LEU": null, - "chainIndex": 871, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2481, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.177879368378, - "psi": -47.6018898483485, - "oldID": "116", - "bg": 15.6, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.650933956006, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 167, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2483, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2479, - "terminal_flag": false, - "phi": -64.7723180905173, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.867411074555, - "chi2": null, - "chi3": null, - "chi1": 174.32582896285, - "chi4": null, - "chi5": null, - "a1": 122.099648798372, - "L4": 1.53707453116467, - "L5": 1.22869164781076, - "L2": 1.46859989059543, - "L3": 1.55148735332717, - "a7": 122.42818060137, - "L1": 1.33355067391174, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 107.927175225108, - "bs": 16.0, - "a2": 111.149757981986, - "a5": 120.321872050774, - "sidechain_LEU": null, - "chainIndex": 116, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.277962414481 - } -}, -{ - "pk": 2482, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.590088472653, - "psi": 151.94860898205, - "oldID": "873", - "bg": 32.75, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6953349157227, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 64, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2484, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2480, - "terminal_flag": false, - "phi": -112.185956386573, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.419252687909, - "chi2": 59.6533171069952, - "chi3": 111.494876959041, - "chi1": -132.232640900476, - "chi4": null, - "chi5": null, - "a1": 121.281209907939, - "L4": 1.54123254731498, - "L5": 1.23909277165487, - "L2": 1.44947513443854, - "L3": 1.54114277763756, - "a7": 122.169302066478, - "L1": 1.32151870470839, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "B", - "a3": 114.852644227132, - "bs": 32.0, - "a2": 107.220910054085, - "a5": 121.227889866237, - "sidechain_LEU": null, - "chainIndex": 872, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.525480640475 - } -}, -{ - "pk": 2483, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.88013296221, - "psi": -43.5720668809706, - "oldID": "117", - "bg": 14.82, - "sidechain_CYS": null, - "sidechain_ILE": 142, - "protein": "1H0H", - "zeta": 32.4759083752173, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2485, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2481, - "terminal_flag": false, - "phi": -66.0491923735705, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.922672948106, - "chi2": 177.266134604648, - "chi3": null, - "chi1": -60.7669534833114, - "chi4": null, - "chi5": null, - "a1": 120.596011582003, - "L4": 1.52729361596063, - "L5": 1.22191200759687, - "L2": 1.46609474121635, - "L3": 1.54158736688844, - "a7": 122.710595689091, - "L1": 1.33217132699719, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.66973040227, - "bs": 15.0, - "a2": 111.767988334329, - "a5": 119.32873948694, - "sidechain_LEU": null, - "chainIndex": 117, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.388330346876 - } -}, -{ - "pk": 2484, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 148, - "a6": 117.735710470499, - "psi": 124.478086395996, - "oldID": "874", - "bg": 22.98, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.4916323219226, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2487, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2482, - "terminal_flag": false, - "phi": -84.7174309411245, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.346019697228, - "chi2": -48.3679584062008, - "chi3": null, - "chi1": -178.943684705679, - "chi4": null, - "chi5": null, - "a1": 120.741823250039, - "L4": 1.53822900850792, - "L5": 1.2261314060731, - "L2": 1.4584652915173, - "L3": 1.52406246409746, - "a7": 121.881589943391, - "L1": 1.32883425098331, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.091607369331, - "bs": 24.0, - "a2": 110.295371705256, - "a5": 120.382129111413, - "sidechain_LEU": null, - "chainIndex": 873, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.259043062454 - } -}, -{ - "pk": 2485, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.578794821348, - "psi": -25.0007461550998, - "oldID": "118", - "bg": 19.16, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.824896008743, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2486, - "sidechain_SER": 118, - "bm": 17.0, - "xpr": false, - "prev": 2483, - "terminal_flag": false, - "phi": -66.9955139914818, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.371340969415, - "chi2": null, - "chi3": null, - "chi1": 59.4598085215792, - "chi4": null, - "chi5": null, - "a1": 119.441416329641, - "L4": 1.53061707354399, - "L5": 1.21978329139024, - "L2": 1.46836399174631, - "L3": 1.53860126215181, - "a7": 122.184067451542, - "L1": 1.33840580028303, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.812422006272, - "bs": 19.0, - "a2": 113.905461460225, - "a5": 119.21555259334, - "sidechain_LEU": null, - "chainIndex": 118, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.214986445267 - } -}, -{ - "pk": 2486, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.120722739317, - "psi": -23.6997289609285, - "oldID": "119", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6669253866115, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2488, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2485, - "terminal_flag": false, - "phi": -67.6003384093391, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.460398909325, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.003571126326, - "L4": 1.52431533950655, - "L5": 1.22852756246572, - "L2": 1.47611870889239, - "L3": 1.53682174278651, - "a7": 121.926558144711, - "L1": 1.33630375615537, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.025948285016, - "bs": 17.0, - "a2": 110.915964991977, - "a5": 120.855911812228, - "sidechain_LEU": null, - "chainIndex": 119, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.63046157292 - } -}, -{ - "pk": 2487, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 119.062198649528, - "psi": -30.8028902129639, - "oldID": "875", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 33.1046170935193, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2489, - "sidechain_SER": null, - "bm": 21.0, - "xpr": false, - "prev": 2484, - "terminal_flag": false, - "phi": -55.4756712878799, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.709302638387, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.807932560778, - "L4": 1.53193775470938, - "L5": 1.22575069508352, - "L2": 1.45978724914099, - "L3": 1.51192656105649, - "a7": 121.500521292712, - "L1": 1.32628059152818, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 116.380212314018, - "bs": 16.0, - "a2": 110.266664697159, - "a5": 119.437134471476, - "sidechain_LEU": null, - "chainIndex": 874, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.648988016144 - } -}, -{ - "pk": 2488, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.375612456882, - "psi": 114.941126610766, - "oldID": "120", - "bg": 18.0, - "sidechain_CYS": 47, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6833762276397, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2490, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2486, - "terminal_flag": false, - "phi": -73.1446201228812, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.543527850046, - "chi2": null, - "chi3": null, - "chi1": 178.276893290733, - "chi4": null, - "chi5": null, - "a1": 119.665713632166, - "L4": 1.53107715005255, - "L5": 1.22423273281543, - "L2": 1.46458723780577, - "L3": 1.50994870015978, - "a7": 122.122996474123, - "L1": 1.3224624435263, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.408587970408, - "bs": 17.0, - "a2": 111.423430594857, - "a5": 121.456663277753, - "sidechain_LEU": null, - "chainIndex": 120, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.087014282216 - } -}, -{ - "pk": 2489, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 117.387755039147, - "psi": 0.928078505177242, - "oldID": "876", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 32.8619483031257, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2491, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2487, - "terminal_flag": false, - "phi": -74.9380904087459, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.452184609359, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 117.953375905293, - "L4": 1.53512698143271, - "L5": 1.23088286603699, - "L2": 1.45788164381468, - "L3": 1.56282765026503, - "a7": 122.582940091042, - "L1": 1.32762793088304, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 112.637772910252, - "bs": 16.0, - "a2": 111.375948988775, - "a5": 120.028777113396, - "sidechain_LEU": null, - "chainIndex": 875, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.757964877102 - } -}, -{ - "pk": 2490, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 140, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.300603154278, - "psi": -19.4914177079121, - "oldID": "121", - "bg": 17.55, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.8575253959937, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2492, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2488, - "terminal_flag": false, - "phi": -65.0474037596285, - "chainID": "B", - "sidechain_GLN": null, - "ome": -174.924479526453, - "chi2": 32.515554749485, - "chi3": -32.6895374107872, - "chi1": -18.4217552336532, - "chi4": 21.5725326640226, - "chi5": null, - "a1": 121.578304573067, - "L4": 1.51592478719, - "L5": 1.22967500472325, - "L2": 1.46705157932782, - "L3": 1.53288228624754, - "a7": 123.4252977077, - "L1": 1.32029101200318, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 1.83971779024449, - "ss": "T", - "a3": 110.58722129514, - "bs": 17.0, - "a2": 103.093727111616, - "a5": 120.265458211147, - "sidechain_LEU": null, - "chainIndex": 121, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.28744648577 - } -}, -{ - "pk": 2491, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.327977049299, - "psi": 14.6015182111235, - "oldID": "877", - "bg": 28.57, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.3239496733873, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2493, - "sidechain_SER": null, - "bm": 26.0, - "xpr": false, - "prev": 2489, - "terminal_flag": false, - "phi": -114.922545570888, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.677054605819, - "chi2": null, - "chi3": null, - "chi1": -63.0813945365106, - "chi4": null, - "chi5": null, - "a1": 121.560388001791, - "L4": 1.52272139952762, - "L5": 1.23226222205444, - "L2": 1.47146710042666, - "L3": 1.53106217882595, - "a7": 123.288134470501, - "L1": 1.33126373691174, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 110.492341565054, - "bs": 26.0, - "a2": 111.224792643672, - "a5": 121.383509292307, - "sidechain_LEU": null, - "chainIndex": 876, - "sidechain_HIS": 75, - "h_bond_energy": 0.0, - "a4": 109.243242322577 - } -}, -{ - "pk": 2492, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.975657572447, - "psi": 1.31184699197555, - "oldID": "122", - "bg": 15.95, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1231058315245, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2494, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2490, - "terminal_flag": false, - "phi": -103.632318735202, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.34005871681, - "chi2": -77.0617096904759, - "chi3": null, - "chi1": -52.6787328404869, - "chi4": null, - "chi5": null, - "a1": 121.766466828662, - "L4": 1.52269969569086, - "L5": 1.22692259094711, - "L2": 1.44498639970296, - "L3": 1.53988195772544, - "a7": 123.533137221489, - "L1": 1.32617101739595, - "sidechain_ARG": null, - "sidechain_TYR": 77, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.964335876487, - "bs": 16.0, - "a2": 108.921251567342, - "a5": 120.454875537366, - "sidechain_LEU": null, - "chainIndex": 122, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.980537597701 - } -}, -{ - "pk": 2493, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 115.825396810774, - "psi": 129.680647421374, - "oldID": "878", - "bg": 31.47, - "sidechain_CYS": null, - "sidechain_ILE": 143, - "protein": "1TWF", - "zeta": 34.8079435984316, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2496, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2491, - "terminal_flag": false, - "phi": -105.818151082142, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.657616693478, - "chi2": 163.950414884799, - "chi3": null, - "chi1": -83.4843119176742, - "chi4": null, - "chi5": null, - "a1": 122.760687376446, - "L4": 1.52225068599238, - "L5": 1.23281735812805, - "L2": 1.44407962205854, - "L3": 1.53881887073321, - "a7": 123.09278655076, - "L1": 1.32351707996012, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.81515429932, - "bs": 32.0, - "a2": 109.285271306305, - "a5": 121.078493507143, - "sidechain_LEU": null, - "chainIndex": 877, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.073500406135 - } -}, -{ - "pk": 2494, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 149, - "a6": 116.0660318283, - "psi": 47.6473971877054, - "oldID": "123", - "bg": 18.44, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5889105875642, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2495, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2492, - "terminal_flag": false, - "phi": 53.9742231307331, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.070380387019, - "chi2": 32.9977965777737, - "chi3": null, - "chi1": -171.013279267242, - "chi4": null, - "chi5": null, - "a1": 123.857850154682, - "L4": 1.52177816543409, - "L5": 1.2202955047189, - "L2": 1.45337284678662, - "L3": 1.533595472839, - "a7": 123.15590291225, - "L1": 1.32187462679886, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 112.210300114312, - "bs": 18.0, - "a2": 110.529441892424, - "a5": 120.768457202791, - "sidechain_LEU": null, - "chainIndex": 123, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.573086326433 - } -}, -{ - "pk": 2495, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 119.917679101926, - "psi": -49.2001834262482, - "oldID": "124", - "bg": 16.48, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.8469890457398, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 168, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2497, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2494, - "terminal_flag": false, - "phi": -90.3297264051185, - "chainID": "B", - "sidechain_GLN": null, - "ome": -173.157900647369, - "chi2": null, - "chi3": null, - "chi1": 170.735702306172, - "chi4": null, - "chi5": null, - "a1": 122.661650478985, - "L4": 1.55047063489487, - "L5": 1.23241909054415, - "L2": 1.45318039312798, - "L3": 1.55480263471991, - "a7": 121.90230594057, - "L1": 1.32837571370109, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 119.330559195213, - "bs": 16.0, - "a2": 110.626593769339, - "a5": 118.176210343758, - "sidechain_LEU": null, - "chainIndex": 124, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.984078287956 - } -}, -{ - "pk": 2496, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.656429732977, - "psi": 143.813793610063, - "oldID": "879", - "bg": 31.1, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.6282875611004, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2498, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 2493, - "terminal_flag": false, - "phi": -128.47705140435, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.705788583568, - "chi2": -170.384484133568, - "chi3": 27.384322218058, - "chi1": -40.3291228257548, - "chi4": null, - "chi5": null, - "a1": 121.187929955704, - "L4": 1.52935756721958, - "L5": 1.23451418979354, - "L2": 1.44944078497409, - "L3": 1.52775722145563, - "a7": 123.286506365522, - "L1": 1.32592072581165, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 171, - "omep": null, - "ss": "E", - "a3": 110.639809279801, - "bs": 32.0, - "a2": 111.527659152415, - "a5": 122.044041925821, - "sidechain_LEU": null, - "chainIndex": 878, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.508874112764 - } -}, -{ - "pk": 2497, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 141, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.002460276293, - "psi": 146.435126017887, - "oldID": "125", - "bg": 16.35, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 40.1880228394052, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2499, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2495, - "terminal_flag": false, - "phi": -64.9509920169966, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.170362854885, - "chi2": 6.65368251996509, - "chi3": -7.40407678356882, - "chi1": -3.07913562566417, - "chi4": 5.48696442915299, - "chi5": null, - "a1": 121.787312450386, - "L4": 1.51999582208207, - "L5": 1.22569294749471, - "L2": 1.4813835264002, - "L3": 1.5350936697392, - "a7": 123.058289294491, - "L1": 1.33608736780849, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 6.77696676104057, - "ss": "-", - "a3": 114.617254399673, - "bs": 16.0, - "a2": 104.142085461025, - "a5": 119.856283122493, - "sidechain_LEU": null, - "chainIndex": 125, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.089251604496 - } -}, -{ - "pk": 2498, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.721225465801, - "psi": 116.796648570401, - "oldID": "880", - "bg": 41.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.351910869096, - "sidechain_PHE": null, - "sidechain_LYS": 171, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2500, - "sidechain_SER": null, - "bm": 31.0, - "xpr": false, - "prev": 2496, - "terminal_flag": false, - "phi": -65.97654459789, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.704111058348, - "chi2": 164.839077725845, - "chi3": -87.3068063221886, - "chi1": 176.094121624814, - "chi4": 175.730082654702, - "chi5": null, - "a1": 122.625480191391, - "L4": 1.52465364484224, - "L5": 1.22002209808867, - "L2": 1.44683158631934, - "L3": 1.52487102510967, - "a7": 122.815489550937, - "L1": 1.32378580377283, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.248966465542, - "bs": 43.0, - "a2": 109.25220880144, - "a5": 120.445178249475, - "sidechain_LEU": null, - "chainIndex": 879, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.420631192925 - } -}, -{ - "pk": 2499, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.861876050084, - "psi": 143.885410484674, - "oldID": "126", - "bg": 16.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6362410676915, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2501, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2497, - "terminal_flag": false, - "phi": -137.083536610081, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.684186870052, - "chi2": -72.1942062906375, - "chi3": -178.060417422296, - "chi1": -66.3620938327395, - "chi4": -91.2741283400082, - "chi5": 2.00115858402363, - "a1": 119.941161576486, - "L4": 1.52560422348899, - "L5": 1.21563517848454, - "L2": 1.47379300714335, - "L3": 1.53589977519584, - "a7": 123.210309949786, - "L1": 1.32485170567967, - "sidechain_ARG": 120, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.706117609136, - "bs": 17.0, - "a2": 110.087509964894, - "a5": 120.923388651871, - "sidechain_LEU": null, - "chainIndex": 126, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.667321204444 - } -}, -{ - "pk": 2500, - "model": "pgd_core.residue", - "fields": { - "aa": "q", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.880278191093, - "psi": 145.854404196761, - "oldID": "881", - "bg": 31.49, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 34.1154066441015, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2502, - "sidechain_SER": null, - "bm": 32.0, - "xpr": false, - "prev": 2498, - "terminal_flag": false, - "phi": -128.776495749037, - "chainID": "A", - "sidechain_GLN": 95, - "ome": -179.727717847421, - "chi2": 177.596207008458, - "chi3": 71.4509557175129, - "chi1": -62.241303324659, - "chi4": null, - "chi5": null, - "a1": 122.455411492261, - "L4": 1.5301853695406, - "L5": 1.22904573760877, - "L2": 1.45640954934119, - "L3": 1.53781431683486, - "a7": 122.148835803952, - "L1": 1.3314795230229, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.939613722401, - "bs": 30.0, - "a2": 110.774351638223, - "a5": 120.943347703235, - "sidechain_LEU": null, - "chainIndex": 880, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.909332110937 - } -}, -{ - "pk": 2501, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.596907758545, - "psi": 139.8892336236, - "oldID": "127", - "bg": 13.47, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.4602834004295, - "sidechain_PHE": null, - "sidechain_LYS": 172, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2503, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2499, - "terminal_flag": false, - "phi": -98.8361434127688, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.565284387085, - "chi2": -171.555761751859, - "chi3": 75.7424829646339, - "chi1": -168.337337695273, - "chi4": 79.329468444332, - "chi5": null, - "a1": 122.946839803962, - "L4": 1.52559501465611, - "L5": 1.2226437778483, - "L2": 1.44694087087915, - "L3": 1.53131794059173, - "a7": 122.794652774371, - "L1": 1.32663327062056, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 111.464100409605, - "bs": 14.0, - "a2": 108.67996242154, - "a5": 120.55368470749, - "sidechain_LEU": null, - "chainIndex": 127, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.169047461273 - } -}, -{ - "pk": 2502, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 114.426727120092, - "psi": 130.617362879492, - "oldID": "882", - "bg": 39.18, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3716217337015, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2505, - "sidechain_SER": 119, - "bm": 36.0, - "xpr": false, - "prev": 2500, - "terminal_flag": false, - "phi": -89.9678770301978, - "chainID": "A", - "sidechain_GLN": null, - "ome": 178.43815941558, - "chi2": null, - "chi3": null, - "chi1": 94.350374354701, - "chi4": null, - "chi5": null, - "a1": 120.54243331026, - "L4": 1.51794634022444, - "L5": 1.23448970838313, - "L2": 1.45840694429228, - "L3": 1.50937156397516, - "a7": 124.247181640204, - "L1": 1.32967701501661, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.157996846179, - "bs": 37.0, - "a2": 111.103533014753, - "a5": 121.314473348541, - "sidechain_LEU": null, - "chainIndex": 881, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 106.933383089082 - } -}, -{ - "pk": 2503, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.655759973625, - "psi": 151.782082960304, - "oldID": "128", - "bg": 16.79, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.3091286615034, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 169, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2504, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2501, - "terminal_flag": false, - "phi": -72.1475546866004, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.120565722885, - "chi2": null, - "chi3": null, - "chi1": 72.0742593651213, - "chi4": null, - "chi5": null, - "a1": 121.021164139804, - "L4": 1.54398026548479, - "L5": 1.23543837151276, - "L2": 1.460291357829, - "L3": 1.53628752721445, - "a7": 121.540015204566, - "L1": 1.3323548524114, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 106.979523556449, - "bs": 17.0, - "a2": 110.684054380515, - "a5": 120.801069120394, - "sidechain_LEU": null, - "chainIndex": 128, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.278982781571 - } -}, -{ - "pk": 2504, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.358747502488, - "psi": -46.649617564115, - "oldID": "129", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1144587384839, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2506, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2503, - "terminal_flag": false, - "phi": -58.1562539392342, - "chainID": "B", - "sidechain_GLN": null, - "ome": -167.308501618426, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.77245511484, - "L4": 1.52166915627766, - "L5": 1.23728206197331, - "L2": 1.46168776872559, - "L3": 1.53925604054096, - "a7": 122.410807880148, - "L1": 1.32218360205749, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 115.378178240512, - "bs": 20.0, - "a2": 110.092649568578, - "a5": 121.229963422451, - "sidechain_LEU": null, - "chainIndex": 129, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.222400428077 - } -}, -{ - "pk": 2505, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.60432753979, - "psi": 86.3460182516536, - "oldID": "883", - "bg": 36.65, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 36.1654580361439, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2507, - "sidechain_SER": null, - "bm": 42.0, - "xpr": false, - "prev": 2502, - "terminal_flag": false, - "phi": -90.8030009025447, - "chainID": "A", - "sidechain_GLN": null, - "ome": -178.341611218899, - "chi2": 155.146513525078, - "chi3": null, - "chi1": -67.6595917975071, - "chi4": null, - "chi5": null, - "a1": 124.562715139552, - "L4": 1.52291690517942, - "L5": 1.2238144653161, - "L2": 1.46181989804432, - "L3": 1.52750209603165, - "a7": 123.138125930568, - "L1": 1.32900691794679, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.564383439221, - "bs": 36.0, - "a2": 109.469812507482, - "a5": 120.254117189694, - "sidechain_LEU": 190, - "chainIndex": 882, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.042225323997 - } -}, -{ - "pk": 2506, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.128994055061, - "psi": -3.40065621922623, - "oldID": "130", - "bg": 21.7, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9234514569824, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2509, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2504, - "terminal_flag": false, - "phi": -79.9395217389294, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.774201193229, - "chi2": 79.4565254579097, - "chi3": -7.93424351125093, - "chi1": -58.4378097479503, - "chi4": null, - "chi5": null, - "a1": 119.630010305112, - "L4": 1.54804236287125, - "L5": 1.22905067060335, - "L2": 1.45400840650926, - "L3": 1.53406256048206, - "a7": 122.097876158245, - "L1": 1.32282600492901, + "chi1": 176.00046030736, + "chi4": null, + "chi5": null, + "a1": 122.865280664445, + "L4": 1.51782368372976, + "L5": 1.23881464494216, + "L2": 1.46943415776365, + "L3": 1.52690309128457, + "a7": 124.067901585663, + "L1": 1.32955509523272, "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 172, + "sidechain_TYR": 37, + "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 117.749699262912, - "bs": 21.0, - "a2": 108.374813113227, - "a5": 119.749800687823, + "ss": "G", + "a3": 112.755753801485, + "bs": 24.0, + "a2": 109.749396116575, + "a5": 120.353800700438, "sidechain_LEU": null, - "chainIndex": 130, + "chainIndex": 867, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.396898432827 + "a4": 109.662202033414 } }, { - "pk": 2507, + "pk": 1600, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 150, - "a6": 116.321643239269, - "psi": -48.9052941139303, - "oldID": "884", - "bg": 54.4, + "sidechain_ASP": null, + "a6": 115.486592611978, + "psi": 28.2720082937277, + "oldID": "869", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 33.6340305695285, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2508, + "next": 1601, "sidechain_SER": null, - "bm": 48.0, + "bm": 23.0, "xpr": false, - "prev": 2505, + "prev": 1599, "terminal_flag": false, - "phi": -51.7196901351959, + "phi": 49.0779130068046, "chainID": "A", "sidechain_GLN": null, - "ome": 179.330942967596, - "chi2": -47.2070680458983, + "ome": 179.78760653852, + "chi2": null, "chi3": null, - "chi1": -55.7366319100859, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.655158345445, - "L4": 1.52306290202527, - "L5": 1.2355098508223, - "L2": 1.46037259587584, - "L3": 1.52161624096603, - "a7": 123.303276380174, - "L1": 1.32670650538982, + "a1": 122.845335985141, + "L4": 1.52164838044916, + "L5": 1.23779226884785, + "L2": 1.46054462294142, + "L3": null, + "a7": 124.027040232587, + "L1": 1.33685832592846, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "G", - "a3": 117.324712694922, - "bs": 53.0, - "a2": 108.576318950919, - "a5": 120.374463707377, + "a3": 114.332387555645, + "bs": 0.0, + "a2": null, + "a5": 120.472179405634, "sidechain_LEU": null, - "chainIndex": 883, + "chainIndex": 868, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.463680786724 + "a4": null } }, { - "pk": 2508, + "pk": 1601, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.459032472141, - "psi": -39.9296892505772, - "oldID": "885", - "bg": 50.3, + "a6": 116.318829878576, + "psi": 16.4001617012919, + "oldID": "870", + "bg": 19.42, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 35.8188461347147, + "zeta": 33.4471673928333, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 140, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 2510, + "next": 1602, "sidechain_SER": null, - "bm": 48.0, + "bm": 25.0, "xpr": false, - "prev": 2507, + "prev": 1600, "terminal_flag": false, - "phi": -38.1935676282907, + "phi": 53.4250021203737, "chainID": "A", "sidechain_GLN": null, - "ome": -176.913308234075, - "chi2": null, - "chi3": null, - "chi1": 17.1119214011323, + "ome": 177.683990544758, + "chi2": 172.126392136857, + "chi3": -2.70677047250689, + "chi1": -37.907432349987, "chi4": null, "chi5": null, - "a1": 122.094936200609, - "L4": 1.53051691014209, - "L5": 1.22839272532795, - "L2": 1.46074474484784, - "L3": 1.52322244207509, - "a7": 122.459317713909, - "L1": 1.32847807789306, + "a1": 125.672844395922, + "L4": 1.51882762790417, + "L5": 1.2218952413077, + "L2": 1.46345336537366, + "L3": 1.53107611511036, + "a7": 122.504415570253, + "L1": 1.33861540789236, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 117, "omep": null, "ss": "G", - "a3": 115.418953548908, - "bs": 50.0, - "a2": 111.608541349999, - "a5": 120.079083285354, + "a3": 114.301671071302, + "bs": 19.0, + "a2": 110.360101419656, + "a5": 121.173645748978, "sidechain_LEU": null, - "chainIndex": 884, + "chainIndex": 869, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 105.204120253737 + "a4": 110.124952728634 } }, { - "pk": 2509, + "pk": 1602, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.222828293681, - "psi": -172.738642861164, - "oldID": "131", - "bg": 16.34, + "chain": "1TWFA", + "sidechain_ASP": 102, + "a6": 116.443342271692, + "psi": -5.48659846595842, + "oldID": "871", + "bg": 26.78, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1903649025699, + "protein": "1TWF", + "zeta": 34.1199952955847, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2511, - "sidechain_SER": 120, - "bm": 16.0, + "next": 1603, + "sidechain_SER": null, + "bm": 25.0, "xpr": false, - "prev": 2506, + "prev": 1601, "terminal_flag": false, - "phi": -161.622524495676, - "chainID": "B", + "phi": -144.7084395104, + "chainID": "A", "sidechain_GLN": null, - "ome": 179.122667787184, - "chi2": null, + "ome": 179.934927309376, + "chi2": 23.377480381633, "chi3": null, - "chi1": 78.7640149589477, + "chi1": 64.4972986145073, "chi4": null, "chi5": null, - "a1": 121.191868086291, - "L4": 1.51482837630058, - "L5": 1.23906570244431, - "L2": 1.45759881834719, - "L3": 1.52978751904654, - "a7": 123.52176398975, - "L1": 1.33144995330579, + "a1": 121.190518357755, + "L4": 1.5353876447884, + "L5": 1.21874530997586, + "L2": 1.46549238906043, + "L3": 1.53059290636887, + "a7": 122.963233173005, + "L1": 1.32379472697767, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 109.341696886586, - "bs": 16.0, - "a2": 110.642062043341, - "a5": 120.246053558845, + "ss": "T", + "a3": 111.847359111994, + "bs": 24.0, + "a2": 111.024191373386, + "a5": 120.586382997339, "sidechain_LEU": null, - "chainIndex": 131, + "chainIndex": 870, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.018106746196 + "a4": 109.274421710753 } }, { - "pk": 2510, + "pk": 1603, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.095429189333, - "psi": -43.0706017016446, - "oldID": "886", - "bg": 46.03, + "a6": 116.420605345504, + "psi": 31.7085215841603, + "oldID": "872", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 144, + "sidechain_ILE": null, "protein": "1TWF", - "zeta": 32.835639427533, + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2513, + "next": 1604, "sidechain_SER": null, - "bm": 44.0, + "bm": 30.0, "xpr": false, - "prev": 2508, + "prev": 1602, "terminal_flag": false, - "phi": -66.426759955222, + "phi": 59.2008234495668, "chainID": "A", "sidechain_GLN": null, - "ome": -178.054385525873, - "chi2": 154.240090229285, + "ome": -177.822733700205, + "chi2": null, "chi3": null, - "chi1": -167.351530138445, + "chi1": null, "chi4": null, "chi5": null, - "a1": 121.333453433049, - "L4": 1.52768729374446, - "L5": 1.23903821880942, - "L2": 1.46271185077414, - "L3": 1.5567537513091, - "a7": 122.589062827298, - "L1": 1.33185768923812, + "a1": 122.144438875487, + "L4": 1.51642798254089, + "L5": 1.22265851218937, + "L2": 1.45537316026732, + "L3": null, + "a7": 122.560026339988, + "L1": 1.33240150325667, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "G", - "a3": 119.209884942665, - "bs": 44.0, - "a2": 110.457408399634, - "a5": 120.313858127878, + "ss": "T", + "a3": 114.050979151479, + "bs": 0.0, + "a2": null, + "a5": 120.987955412044, "sidechain_LEU": null, - "chainIndex": 885, + "chainIndex": 871, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.031443121445 + "a4": null } }, { - "pk": 2511, + "pk": 1604, "model": "pgd_core.residue", "fields": { - "aa": "n", + "aa": "m", "sidechain_PRO": null, - "sidechain_ASN": 110, - "chain": "1H0HB", + "sidechain_ASN": null, + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.166693251758, - "psi": 3.44829072492204, - "oldID": "132", - "bg": 18.57, + "a6": 116.590088472653, + "psi": 151.94860898205, + "oldID": "873", + "bg": 32.75, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1415588462371, + "protein": "1TWF", + "zeta": 34.6953349157227, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": null, + "sidechain_MET": 42, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2512, + "next": 1605, "sidechain_SER": null, - "bm": 16.0, + "bm": 25.0, "xpr": false, - "prev": 2509, + "prev": 1603, "terminal_flag": false, - "phi": -88.186521025259, - "chainID": "B", + "phi": -112.185956386573, + "chainID": "A", "sidechain_GLN": null, - "ome": 179.991997610213, - "chi2": 1.22961803165065, - "chi3": null, - "chi1": -75.0988847270532, + "ome": 178.419252687909, + "chi2": 59.6533171069952, + "chi3": 111.494876959041, + "chi1": -132.232640900476, "chi4": null, "chi5": null, - "a1": 121.262536901554, - "L4": 1.51608879151449, - "L5": 1.2268764545888, - "L2": 1.45560049233241, - "L3": 1.52187840887755, - "a7": 122.900323141954, - "L1": 1.33085256013363, + "a1": 121.281209907939, + "L4": 1.54123254731498, + "L5": 1.23909277165487, + "L2": 1.44947513443854, + "L3": 1.54114277763756, + "a7": 122.169302066478, + "L1": 1.32151870470839, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 113.177425865466, - "bs": 18.0, - "a2": 111.373828383732, - "a5": 119.926181093263, + "ss": "B", + "a3": 114.852644227132, + "bs": 32.0, + "a2": 107.220910054085, + "a5": 121.227889866237, "sidechain_LEU": null, - "chainIndex": 132, + "chainIndex": 872, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.521528622558 + "a4": 111.525480640475 } }, { - "pk": 2512, + "pk": 1605, "model": "pgd_core.residue", "fields": { - "aa": "q", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.879907958953, - "psi": 136.857435827022, - "oldID": "133", - "bg": 17.06, + "chain": "1TWFA", + "sidechain_ASP": 103, + "a6": 117.735710470499, + "psi": 124.478086395996, + "oldID": "874", + "bg": 22.98, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4152063067945, + "protein": "1TWF", + "zeta": 34.4916323219226, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2514, + "next": 1606, "sidechain_SER": null, - "bm": 14.0, + "bm": 19.0, "xpr": false, - "prev": 2511, + "prev": 1604, "terminal_flag": false, - "phi": -61.5003834810194, - "chainID": "B", - "sidechain_GLN": 96, - "ome": 179.787872247047, - "chi2": 169.024859715626, - "chi3": -31.7179413791823, - "chi1": -163.019575639811, + "phi": -84.7174309411245, + "chainID": "A", + "sidechain_GLN": null, + "ome": -178.346019697228, + "chi2": -48.3679584062008, + "chi3": null, + "chi1": -178.943684705679, "chi4": null, "chi5": null, - "a1": 119.331783816881, - "L4": 1.50847883921952, - "L5": 1.23300468011646, - "L2": 1.45040272652508, - "L3": 1.52444163127978, - "a7": 123.963030103178, - "L1": 1.32707226565071, + "a1": 120.741823250039, + "L4": 1.53822900850792, + "L5": 1.2261314060731, + "L2": 1.4584652915173, + "L3": 1.52406246409746, + "a7": 121.881589943391, + "L1": 1.32883425098331, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "-", - "a3": 111.526182428091, - "bs": 17.0, - "a2": 111.650475689609, - "a5": 120.081417648255, + "a3": 109.091607369331, + "bs": 24.0, + "a2": 110.295371705256, + "a5": 120.382129111413, "sidechain_LEU": null, - "chainIndex": 133, + "chainIndex": 873, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.495903917399 + "a4": 110.259043062454 } }, { - "pk": 2513, + "pk": 1606, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.810958573791, - "psi": 170.385901039293, - "oldID": "887", + "a6": 119.062198649528, + "psi": -30.8028902129639, + "oldID": "875", "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 33.1046170935193, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2515, + "next": 1607, "sidechain_SER": null, - "bm": 41.0, + "bm": 21.0, "xpr": false, - "prev": 2510, + "prev": 1605, "terminal_flag": false, - "phi": -91.7681638052481, + "phi": -55.4756712878799, "chainID": "A", "sidechain_GLN": null, - "ome": 179.705189325841, + "ome": -179.709302638387, "chi2": null, "chi3": null, "chi1": null, "chi4": null, "chi5": null, - "a1": 120.189612608711, - "L4": 1.51374420794968, - "L5": 1.2237417361155, - "L2": 1.4524501620237, - "L3": null, - "a7": 122.884047167611, - "L1": 1.32500855060839, + "a1": 119.807932560778, + "L4": 1.53193775470938, + "L5": 1.22575069508352, + "L2": 1.45978724914099, + "L3": 1.51192656105649, + "a7": 121.500521292712, + "L1": 1.32628059152818, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 118.429157515031, - "bs": 0.0, - "a2": null, - "a5": 121.304515358174, + "ss": "G", + "a3": 116.380212314018, + "bs": 16.0, + "a2": 110.266664697159, + "a5": 119.437134471476, "sidechain_LEU": null, - "chainIndex": 886, + "chainIndex": 874, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": null + "a4": 109.648988016144 } }, { - "pk": 2514, + "pk": 1607, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "a", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.210569005329, - "psi": 150.918290180112, - "oldID": "134", - "bg": 17.6, + "a6": 117.387755039147, + "psi": 0.928078505177242, + "oldID": "876", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.1799848170905, + "protein": "1TWF", + "zeta": 32.8619483031257, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 65, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2516, + "next": 1608, "sidechain_SER": null, - "bm": 14.0, + "bm": 22.0, "xpr": false, - "prev": 2512, + "prev": 1606, "terminal_flag": false, - "phi": -125.07974998299, - "chainID": "B", + "phi": -74.9380904087459, + "chainID": "A", "sidechain_GLN": null, - "ome": 178.301430897544, - "chi2": 175.564810478156, - "chi3": -64.6073601367003, - "chi1": -68.6236691711525, + "ome": 179.452184609359, + "chi2": null, + "chi3": null, + "chi1": null, "chi4": null, "chi5": null, - "a1": 122.608101730452, - "L4": 1.52952462417549, - "L5": 1.22426543442691, - "L2": 1.4587578390184, - "L3": 1.52221182528521, - "a7": 121.725449885461, - "L1": 1.32499488672787, + "a1": 117.953375905293, + "L4": 1.53512698143271, + "L5": 1.23088286603699, + "L2": 1.45788164381468, + "L3": 1.56282765026503, + "a7": 122.582940091042, + "L1": 1.32762793088304, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "E", - "a3": 112.520888097089, - "bs": 17.0, - "a2": 109.851531415721, - "a5": 121.063865770664, + "ss": "G", + "a3": 112.637772910252, + "bs": 16.0, + "a2": 111.375948988775, + "a5": 120.028777113396, "sidechain_LEU": null, - "chainIndex": 134, + "chainIndex": 875, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.141449468951 + "a4": 110.757964877102 } }, { - "pk": 2515, + "pk": 1608, "model": "pgd_core.residue", "fields": { - "aa": "g", + "aa": "h", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.561495538359, - "psi": 169.396825888714, - "oldID": "888", - "bg": 0.0, + "a6": 115.327977049299, + "psi": 14.6015182111235, + "oldID": "877", + "bg": 28.57, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": null, + "zeta": 34.3239496733873, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2517, + "next": 1609, "sidechain_SER": null, - "bm": 40.0, + "bm": 26.0, "xpr": false, - "prev": 2513, + "prev": 1607, "terminal_flag": false, - "phi": 92.2655540288502, + "phi": -114.922545570888, "chainID": "A", "sidechain_GLN": null, - "ome": 179.695806362626, + "ome": -179.677054605819, "chi2": null, "chi3": null, - "chi1": null, + "chi1": -63.0813945365106, "chi4": null, "chi5": null, - "a1": 121.195931643043, - "L4": 1.51623295008029, - "L5": 1.2346613737243, - "L2": 1.44776234025252, - "L3": null, - "a7": 123.16562429483, - "L1": 1.32656895776755, + "a1": 121.560388001791, + "L4": 1.52272139952762, + "L5": 1.23226222205444, + "L2": 1.47146710042666, + "L3": 1.53106217882595, + "a7": 123.288134470501, + "L1": 1.33126373691174, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "S", - "a3": 114.481941275196, - "bs": 0.0, - "a2": null, - "a5": 121.272795269861, + "ss": "G", + "a3": 110.492341565054, + "bs": 26.0, + "a2": 111.224792643672, + "a5": 121.383509292307, "sidechain_LEU": null, - "chainIndex": 887, - "sidechain_HIS": null, + "chainIndex": 876, + "sidechain_HIS": 55, "h_bond_energy": 0.0, - "a4": null + "a4": 109.243242322577 } }, { - "pk": 2516, + "pk": 1609, "model": "pgd_core.residue", "fields": { - "aa": "a", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 115.792048273928, - "psi": 165.79234607626, - "oldID": "135", - "bg": 0.0, + "a6": 115.825396810774, + "psi": 129.680647421374, + "oldID": "878", + "bg": 31.47, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0559654180813, + "sidechain_ILE": 95, + "protein": "1TWF", + "zeta": 34.8079435984316, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2518, + "next": 1610, "sidechain_SER": null, - "bm": 16.0, + "bm": 28.0, "xpr": false, - "prev": 2514, + "prev": 1608, "terminal_flag": false, - "phi": -147.054565116043, - "chainID": "B", + "phi": -105.818151082142, + "chainID": "A", "sidechain_GLN": null, - "ome": -177.517501296336, - "chi2": null, + "ome": 179.657616693478, + "chi2": 163.950414884799, "chi3": null, - "chi1": null, + "chi1": -83.4843119176742, "chi4": null, "chi5": null, - "a1": 120.693227395981, - "L4": 1.51803822064905, - "L5": 1.22663061665458, - "L2": 1.45918406377403, - "L3": 1.5459410881484, - "a7": 123.994931271917, - "L1": 1.32994574496973, + "a1": 122.760687376446, + "L4": 1.52225068599238, + "L5": 1.23281735812805, + "L2": 1.44407962205854, + "L3": 1.53881887073321, + "a7": 123.09278655076, + "L1": 1.32351707996012, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, "ss": "E", - "a3": 109.775267466725, - "bs": 17.0, - "a2": 111.302805026364, - "a5": 120.202731849173, + "a3": 112.81515429932, + "bs": 32.0, + "a2": 109.285271306305, + "a5": 121.078493507143, "sidechain_LEU": null, - "chainIndex": 135, + "chainIndex": 877, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.495915010119 + "a4": 110.073500406135 } }, { - "pk": 2517, + "pk": 1610, "model": "pgd_core.residue", "fields": { - "aa": "s", + "aa": "e", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.370245648327, - "psi": 164.075335381113, - "oldID": "889", - "bg": 47.24, + "a6": 114.656429732977, + "psi": 143.813793610063, + "oldID": "879", + "bg": 31.1, "sidechain_CYS": null, "sidechain_ILE": null, "protein": "1TWF", - "zeta": 34.9930482584756, + "zeta": 34.6282875611004, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2528, - "sidechain_SER": 121, - "bm": 43.0, + "next": 1611, + "sidechain_SER": null, + "bm": 29.0, "xpr": false, - "prev": 2515, + "prev": 1609, "terminal_flag": false, - "phi": -76.4053349997633, + "phi": -128.47705140435, "chainID": "A", "sidechain_GLN": null, - "ome": -179.649387253703, - "chi2": null, - "chi3": null, - "chi1": 71.7374921251022, + "ome": 179.705788583568, + "chi2": -170.384484133568, + "chi3": 27.384322218058, + "chi1": -40.3291228257548, "chi4": null, "chi5": null, - "a1": 122.467273321852, - "L4": 1.52286143243302, - "L5": 1.22851417072635, - "L2": 1.45883714836793, - "L3": 1.52865300550728, - "a7": 122.117475309688, - "L1": 1.33195725771476, + "a1": 121.187929955704, + "L4": 1.52935756721958, + "L5": 1.23451418979354, + "L2": 1.44944078497409, + "L3": 1.52775722145563, + "a7": 123.286506365522, + "L1": 1.32592072581165, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": null, + "sidechain_GLU": 118, "omep": null, - "ss": "-", - "a3": 108.773142841848, - "bs": 46.0, - "a2": 110.267645187509, - "a5": 120.511782874684, + "ss": "E", + "a3": 110.639809279801, + "bs": 32.0, + "a2": 111.527659152415, + "a5": 122.044041925821, "sidechain_LEU": null, - "chainIndex": 888, + "chainIndex": 878, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.774187361109 + "a4": 108.508874112764 } }, { - "pk": 2518, + "pk": 1611, "model": "pgd_core.residue", "fields": { "aa": "k", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.744178154742, - "psi": -179.57237905531, - "oldID": "136", - "bg": 14.19, + "a6": 116.721225465801, + "psi": 116.796648570401, + "oldID": "880", + "bg": 41.73, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.533579091876, + "protein": "1TWF", + "zeta": 35.351910869096, "sidechain_PHE": null, - "sidechain_LYS": 173, + "sidechain_LYS": 97, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2519, + "next": 1612, "sidechain_SER": null, - "bm": 15.0, + "bm": 31.0, "xpr": false, - "prev": 2516, + "prev": 1610, "terminal_flag": false, - "phi": -173.852859130455, - "chainID": "B", + "phi": -65.97654459789, + "chainID": "A", "sidechain_GLN": null, - "ome": 176.274834035085, - "chi2": 169.695997426191, - "chi3": -165.72684654556, - "chi1": 64.3892454754282, - "chi4": 62.888396504833, + "ome": 179.704111058348, + "chi2": 164.839077725845, + "chi3": -87.3068063221886, + "chi1": 176.094121624814, + "chi4": 175.730082654702, "chi5": null, - "a1": 124.694751189317, - "L4": 1.52896906329747, - "L5": 1.23403487877421, - "L2": 1.4564952432965, - "L3": 1.53989777644267, - "a7": 123.047769755265, - "L1": 1.329067107232, + "a1": 122.625480191391, + "L4": 1.52465364484224, + "L5": 1.22002209808867, + "L2": 1.44683158631934, + "L3": 1.52487102510967, + "a7": 122.815489550937, + "L1": 1.32378580377283, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 105.362082165513, - "bs": 14.0, - "a2": 110.422000562161, - "a5": 120.185082373941, + "ss": "E", + "a3": 108.248966465542, + "bs": 43.0, + "a2": 109.25220880144, + "a5": 120.445178249475, "sidechain_LEU": null, - "chainIndex": 136, + "chainIndex": 879, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.754145616505 + "a4": 110.420631192925 } }, { - "pk": 2519, + "pk": 1612, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "q", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.863349337111, - "psi": 129.701933286726, - "oldID": "137", - "bg": 16.72, - "sidechain_CYS": 48, + "a6": 116.880278191093, + "psi": 145.854404196761, + "oldID": "881", + "bg": 31.49, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.7822591143819, + "protein": "1TWF", + "zeta": 34.1154066441015, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2520, + "next": 1613, "sidechain_SER": null, - "bm": 16.0, + "bm": 32.0, "xpr": false, - "prev": 2518, + "prev": 1611, "terminal_flag": false, - "phi": -46.2396414685953, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.826295312149, - "chi2": null, - "chi3": null, - "chi1": 167.375430934491, + "phi": -128.776495749037, + "chainID": "A", + "sidechain_GLN": 69, + "ome": -179.727717847421, + "chi2": 177.596207008458, + "chi3": 71.4509557175129, + "chi1": -62.241303324659, "chi4": null, "chi5": null, - "a1": 123.793456941728, - "L4": 1.52721432843373, - "L5": 1.24375639948123, - "L2": 1.45327687624902, - "L3": 1.53192161129471, - "a7": 122.706767389538, - "L1": 1.3343324514593, + "a1": 122.455411492261, + "L4": 1.5301853695406, + "L5": 1.22904573760877, + "L2": 1.45640954934119, + "L3": 1.53781431683486, + "a7": 122.148835803952, + "L1": 1.3314795230229, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 111.739775556377, - "bs": 16.0, - "a2": 107.62819391628, - "a5": 120.426068491109, + "ss": "E", + "a3": 107.939613722401, + "bs": 30.0, + "a2": 110.774351638223, + "a5": 120.943347703235, "sidechain_LEU": null, - "chainIndex": 137, + "chainIndex": 880, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.104622616314 + "a4": 110.909332110937 } }, { - "pk": 2520, + "pk": 1613, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 151, - "a6": 115.323320677156, - "psi": 23.1819199135035, - "oldID": "138", - "bg": 16.69, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 114.426727120092, + "psi": 130.617362879492, + "oldID": "882", + "bg": 39.18, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.2890101290788, + "protein": "1TWF", + "zeta": 35.3716217337015, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2521, - "sidechain_SER": null, - "bm": 17.0, + "next": 1614, + "sidechain_SER": 78, + "bm": 36.0, "xpr": false, - "prev": 2519, + "prev": 1612, "terminal_flag": false, - "phi": -106.805650015791, - "chainID": "B", + "phi": -89.9678770301978, + "chainID": "A", "sidechain_GLN": null, - "ome": -177.693515360931, - "chi2": -4.93584291741588, + "ome": 178.43815941558, + "chi2": null, "chi3": null, - "chi1": 69.5845619473124, + "chi1": 94.350374354701, "chi4": null, "chi5": null, - "a1": 120.29416047146, - "L4": 1.53246878488506, - "L5": 1.24038290040802, - "L2": 1.45922104282257, - "L3": 1.53094213035787, - "a7": 123.519913428219, - "L1": 1.33442331175527, + "a1": 120.54243331026, + "L4": 1.51794634022444, + "L5": 1.23448970838313, + "L2": 1.45840694429228, + "L3": 1.50937156397516, + "a7": 124.247181640204, + "L1": 1.32967701501661, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 112.459066089794, - "bs": 16.0, - "a2": 111.35259514973, - "a5": 121.156694444154, + "ss": "E", + "a3": 113.157996846179, + "bs": 37.0, + "a2": 111.103533014753, + "a5": 121.314473348541, "sidechain_LEU": null, - "chainIndex": 138, + "chainIndex": 881, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.297516462553 + "a4": 106.933383089082 } }, { - "pk": 2521, + "pk": 1614, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.746076326538, - "psi": 22.2940482167062, - "oldID": "139", - "bg": 17.55, + "a6": 116.60432753979, + "psi": 86.3460182516536, + "oldID": "883", + "bg": 36.65, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6151306912435, + "protein": "1TWF", + "zeta": 36.1654580361439, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 66, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2522, + "next": 1615, "sidechain_SER": null, - "bm": 17.0, + "bm": 42.0, "xpr": false, - "prev": 2520, + "prev": 1613, "terminal_flag": false, - "phi": 54.3993175899585, - "chainID": "B", + "phi": -90.8030009025447, + "chainID": "A", "sidechain_GLN": null, - "ome": -173.788173011211, - "chi2": -170.587693668203, - "chi3": -92.4273042688029, - "chi1": -153.368213830343, + "ome": -178.341611218899, + "chi2": 155.146513525078, + "chi3": null, + "chi1": -67.6595917975071, "chi4": null, "chi5": null, - "a1": 122.282363431138, - "L4": 1.53541436419492, - "L5": 1.22717909627449, - "L2": 1.46646897002676, - "L3": 1.55862611144788, - "a7": 122.23597008866, - "L1": 1.32851316306143, + "a1": 124.562715139552, + "L4": 1.52291690517942, + "L5": 1.2238144653161, + "L2": 1.46181989804432, + "L3": 1.52750209603165, + "a7": 123.138125930568, + "L1": 1.32900691794679, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 110.860680729766, - "bs": 17.0, - "a2": 110.19490672676, - "a5": 120.015832633949, - "sidechain_LEU": null, - "chainIndex": 139, + "ss": "-", + "a3": 107.564383439221, + "bs": 36.0, + "a2": 109.469812507482, + "a5": 120.254117189694, + "sidechain_LEU": 136, + "chainIndex": 882, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.042684213023 + "a4": 109.042225323997 } }, { - "pk": 2522, + "pk": 1615, "model": "pgd_core.residue", "fields": { - "aa": "c", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.923822123209, - "psi": 50.4561907150654, - "oldID": "140", - "bg": 17.48, - "sidechain_CYS": 49, + "chain": "1TWFA", + "sidechain_ASP": 104, + "a6": 116.321643239269, + "psi": -48.9052941139303, + "oldID": "884", + "bg": 54.4, + "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4344097512338, + "protein": "1TWF", + "zeta": 33.6340305695285, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2523, + "next": 1616, "sidechain_SER": null, - "bm": 16.0, + "bm": 48.0, "xpr": false, - "prev": 2521, + "prev": 1614, "terminal_flag": false, - "phi": 46.2783971659298, - "chainID": "B", + "phi": -51.7196901351959, + "chainID": "A", "sidechain_GLN": null, - "ome": -175.811331459366, - "chi2": null, + "ome": 179.330942967596, + "chi2": -47.2070680458983, "chi3": null, - "chi1": -75.6176725090798, + "chi1": -55.7366319100859, "chi4": null, "chi5": null, - "a1": 120.358046087632, - "L4": 1.53820564857556, - "L5": 1.2529154387222, - "L2": 1.45281500690067, - "L3": 1.54902552919189, - "a7": 122.40727266432, - "L1": 1.3272826047552, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 109.504025205403, - "bs": 16.0, - "a2": 110.138721715456, - "a5": 121.667859777443, + "a1": 122.655158345445, + "L4": 1.52306290202527, + "L5": 1.2355098508223, + "L2": 1.46037259587584, + "L3": 1.52161624096603, + "a7": 123.303276380174, + "L1": 1.32670650538982, + "sidechain_ARG": null, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "G", + "a3": 117.324712694922, + "bs": 53.0, + "a2": 108.576318950919, + "a5": 120.374463707377, "sidechain_LEU": null, - "chainIndex": 140, + "chainIndex": 883, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.731871796876 + "a4": 110.463680786724 } }, { - "pk": 2523, + "pk": 1616, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "t", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.580647184906, - "psi": -42.1552143782075, - "oldID": "141", - "bg": 19.37, + "a6": 117.459032472141, + "psi": -39.9296892505772, + "oldID": "885", + "bg": 50.3, "sidechain_CYS": null, - "sidechain_ILE": 145, - "protein": "1H0H", - "zeta": 31.5592078688544, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": 35.8188461347147, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": null, + "sidechain_THR": 83, "sidechain_TRP": null, - "next": 2524, + "next": 1617, "sidechain_SER": null, - "bm": 15.0, + "bm": 48.0, "xpr": false, - "prev": 2522, + "prev": 1615, "terminal_flag": false, - "phi": -50.5701362811493, - "chainID": "B", + "phi": -38.1935676282907, + "chainID": "A", "sidechain_GLN": null, - "ome": 177.97449702039, - "chi2": 58.1808523543072, + "ome": -176.913308234075, + "chi2": null, "chi3": null, - "chi1": -171.800373376769, + "chi1": 17.1119214011323, "chi4": null, "chi5": null, - "a1": 121.055163552492, - "L4": 1.53905205814252, - "L5": 1.23260850600097, - "L2": 1.44438499278103, - "L3": 1.56547555911842, - "a7": 122.258532274078, - "L1": 1.33608745021537, + "a1": 122.094936200609, + "L4": 1.53051691014209, + "L5": 1.22839272532795, + "L2": 1.46074474484784, + "L3": 1.52322244207509, + "a7": 122.459317713909, + "L1": 1.32847807789306, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 113.612307975747, - "bs": 18.0, - "a2": 110.857782556408, - "a5": 120.160279605307, + "ss": "G", + "a3": 115.418953548908, + "bs": 50.0, + "a2": 111.608541349999, + "a5": 120.079083285354, "sidechain_LEU": null, - "chainIndex": 141, + "chainIndex": 884, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.66783067968 + "a4": 105.204120253737 } }, { - "pk": 2524, + "pk": 1617, "model": "pgd_core.residue", "fields": { - "aa": "d", + "aa": "i", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 152, - "a6": 117.130279961512, - "psi": -42.0598364425325, - "oldID": "142", - "bg": 18.28, + "chain": "1TWFA", + "sidechain_ASP": null, + "a6": 117.095429189333, + "psi": -43.0706017016446, + "oldID": "886", + "bg": 46.03, "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.7885757255021, + "sidechain_ILE": 96, + "protein": "1TWF", + "zeta": 32.835639427533, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2525, + "next": 1618, "sidechain_SER": null, - "bm": 16.0, + "bm": 44.0, "xpr": false, - "prev": 2523, + "prev": 1616, "terminal_flag": false, - "phi": -62.3926310870324, - "chainID": "B", + "phi": -66.426759955222, + "chainID": "A", "sidechain_GLN": null, - "ome": 177.430101289586, - "chi2": -26.3063703435942, + "ome": -178.054385525873, + "chi2": 154.240090229285, "chi3": null, - "chi1": 54.5796879944639, + "chi1": -167.351530138445, "chi4": null, "chi5": null, - "a1": 120.778184534341, - "L4": 1.52717660163753, - "L5": 1.24024643912822, - "L2": 1.44938109044928, - "L3": 1.53066365850721, - "a7": 122.858623443386, - "L1": 1.33220597486364, + "a1": 121.333453433049, + "L4": 1.52768729374446, + "L5": 1.23903821880942, + "L2": 1.46271185077414, + "L3": 1.5567537513091, + "a7": 122.589062827298, + "L1": 1.33185768923812, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.639654408793, - "bs": 18.0, - "a2": 112.019892390621, - "a5": 120.008727629315, + "ss": "G", + "a3": 119.209884942665, + "bs": 44.0, + "a2": 110.457408399634, + "a5": 120.313858127878, "sidechain_LEU": null, - "chainIndex": 142, + "chainIndex": 885, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.199634782645 + "a4": 109.031443121445 } }, { - "pk": 2525, + "pk": 1618, "model": "pgd_core.residue", "fields": { - "aa": "r", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.895184634924, - "psi": -43.6650068955583, - "oldID": "143", - "bg": 15.26, + "a6": 115.810958573791, + "psi": 170.385901039293, + "oldID": "887", + "bg": 0.0, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5681183643315, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2526, + "next": 1619, "sidechain_SER": null, - "bm": 15.0, + "bm": 41.0, "xpr": false, - "prev": 2524, + "prev": 1617, "terminal_flag": false, - "phi": -66.0608684977955, - "chainID": "B", + "phi": -91.7681638052481, + "chainID": "A", "sidechain_GLN": null, - "ome": -172.317546864464, - "chi2": 177.425200268269, - "chi3": 70.9512567405486, - "chi1": -66.9273362342784, - "chi4": 86.0769079206013, - "chi5": 0.106274616912779, - "a1": 120.393283848786, - "L4": 1.53411848179673, - "L5": 1.22889349514752, - "L2": 1.45899182773091, - "L3": 1.53662256728243, - "a7": 122.848604995994, - "L1": 1.32786050438519, - "sidechain_ARG": 121, + "ome": 179.705189325841, + "chi2": null, + "chi3": null, + "chi1": null, + "chi4": null, + "chi5": null, + "a1": 120.189612608711, + "L4": 1.51374420794968, + "L5": 1.2237417361155, + "L2": 1.4524501620237, + "L3": null, + "a7": 122.884047167611, + "L1": 1.32500855060839, + "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.935119704246, - "bs": 15.0, - "a2": 110.257443139918, - "a5": 120.246364014966, + "ss": "S", + "a3": 118.429157515031, + "bs": 0.0, + "a2": null, + "a5": 121.304515358174, "sidechain_LEU": null, - "chainIndex": 143, + "chainIndex": 886, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.101894302806 + "a4": null } }, { - "pk": 2526, + "pk": 1619, "model": "pgd_core.residue", "fields": { - "aa": "i", + "aa": "g", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.101520063044, - "psi": -13.8772738644786, - "oldID": "144", - "bg": 16.7, + "a6": 115.561495538359, + "psi": 169.396825888714, + "oldID": "888", + "bg": 0.0, "sidechain_CYS": null, - "sidechain_ILE": 146, - "protein": "1H0H", - "zeta": 30.3303905938811, + "sidechain_ILE": null, + "protein": "1TWF", + "zeta": null, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2527, + "next": 1620, "sidechain_SER": null, - "bm": 14.0, + "bm": 40.0, "xpr": false, - "prev": 2525, + "prev": 1618, "terminal_flag": false, - "phi": -75.3551697077641, - "chainID": "B", + "phi": 92.2655540288502, + "chainID": "A", "sidechain_GLN": null, - "ome": 176.682802233638, - "chi2": 174.940435327386, + "ome": 179.695806362626, + "chi2": null, "chi3": null, - "chi1": 66.0757237240707, + "chi1": null, "chi4": null, "chi5": null, - "a1": 120.370359779381, - "L4": 1.52686573392148, - "L5": 1.22934699249404, - "L2": 1.45546865824618, - "L3": 1.55451670483557, - "a7": 122.701668175945, - "L1": 1.3340998062717, + "a1": 121.195931643043, + "L4": 1.51623295008029, + "L5": 1.2346613737243, + "L2": 1.44776234025252, + "L3": null, + "a7": 123.16562429483, + "L1": 1.32656895776755, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 114.785173730655, - "bs": 16.0, - "a2": 112.368436501247, - "a5": 121.192398022967, + "ss": "S", + "a3": 114.481941275196, + "bs": 0.0, + "a2": null, + "a5": 121.272795269861, "sidechain_LEU": null, - "chainIndex": 144, + "chainIndex": 887, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 112.056099561607 + "a4": null } }, { - "pk": 2527, + "pk": 1620, "model": "pgd_core.residue", "fields": { - "aa": "t", + "aa": "s", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 117.057080260597, - "psi": 7.4538288392694, - "oldID": "145", - "bg": 16.32, + "a6": 117.370245648327, + "psi": 164.075335381113, + "oldID": "889", + "bg": 47.24, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3545711005541, + "protein": "1TWF", + "zeta": 34.9930482584756, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 141, + "sidechain_THR": null, "sidechain_TRP": null, - "next": 2529, - "sidechain_SER": null, - "bm": 15.0, + "next": 1621, + "sidechain_SER": 79, + "bm": 43.0, "xpr": false, - "prev": 2526, + "prev": 1619, "terminal_flag": false, - "phi": -104.511575327639, - "chainID": "B", + "phi": -76.4053349997633, + "chainID": "A", "sidechain_GLN": null, - "ome": 178.714773075731, + "ome": -179.649387253703, "chi2": null, "chi3": null, - "chi1": 54.3589550115111, + "chi1": 71.7374921251022, "chi4": null, "chi5": null, - "a1": 120.538635646604, - "L4": 1.50961077669548, - "L5": 1.22080431145669, - "L2": 1.4437711776077, - "L3": 1.54413067023766, - "a7": 122.951343640789, - "L1": 1.32343870280921, + "a1": 122.467273321852, + "L4": 1.52286143243302, + "L5": 1.22851417072635, + "L2": 1.45883714836793, + "L3": 1.52865300550728, + "a7": 122.117475309688, + "L1": 1.33195725771476, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "T", - "a3": 107.936656186672, - "bs": 15.0, - "a2": 110.991693326926, - "a5": 119.979386111526, + "ss": "-", + "a3": 108.773142841848, + "bs": 46.0, + "a2": 110.267645187509, + "a5": 120.511782874684, "sidechain_LEU": null, - "chainIndex": 145, + "chainIndex": 888, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.623283233501 + "a4": 109.774187361109 } }, { - "pk": 2528, + "pk": 1621, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 153, + "sidechain_ASP": 105, "a6": 116.572607681894, "psi": -33.4996454450364, "oldID": "890", @@ -216999,11 +149568,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2530, + "next": 1622, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2517, + "prev": 1620, "terminal_flag": false, "phi": -66.4829225346331, "chainID": "A", @@ -217038,68 +149607,7 @@ } }, { - "pk": 2529, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 111, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.234883463982, - "psi": 31.7264114010238, - "oldID": "146", - "bg": 18.12, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6455705563427, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2531, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2527, - "terminal_flag": false, - "phi": -128.649529174445, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.603991752382, - "chi2": -75.1467622408979, - "chi3": null, - "chi1": -79.2702418480967, - "chi4": null, - "chi5": null, - "a1": 121.569642278541, - "L4": 1.5331525367258, - "L5": 1.23159249645865, - "L2": 1.46915192640017, - "L3": 1.53909619855275, - "a7": 123.201946969258, - "L1": 1.33064664476546, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.517425038678, - "bs": 17.0, - "a2": 111.871312430507, - "a5": 120.562379794774, - "sidechain_LEU": null, - "chainIndex": 146, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.295412743117 - } -}, -{ - "pk": 2530, + "pk": 1622, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -217121,11 +149629,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2532, + "next": 1623, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 2528, + "prev": 1621, "terminal_flag": false, "phi": -62.252210333859, "chainID": "A", @@ -217160,68 +149668,7 @@ } }, { - "pk": 2531, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.120867739776, - "psi": 13.380853956851, - "oldID": "147", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2533, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2529, - "terminal_flag": false, - "phi": 76.7731683299776, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.181737147324, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.325429556455, - "L4": 1.51786437262096, - "L5": 1.22286848834441, - "L2": 1.44855841838123, - "L3": null, - "a7": 122.651917765976, - "L1": 1.33276211799471, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 118.140869119293, - "bs": 0.0, - "a2": null, - "a5": 119.226653574527, - "sidechain_LEU": null, - "chainIndex": 147, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2532, + "pk": 1623, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -217243,11 +149690,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2535, + "next": 1624, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2530, + "prev": 1622, "terminal_flag": false, "phi": -60.8135404984187, "chainID": "A", @@ -217282,129 +149729,7 @@ } }, { - "pk": 2533, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.815292807707, - "psi": 165.741813312849, - "oldID": "148", - "bg": 19.28, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1693512611523, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2534, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2531, - "terminal_flag": false, - "phi": -118.219436924404, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.333800704677, - "chi2": 167.100546840238, - "chi3": null, - "chi1": -62.2942881709522, - "chi4": null, - "chi5": null, - "a1": 121.361478701796, - "L4": 1.52321886478095, - "L5": 1.21359947983325, - "L2": 1.45505603495219, - "L3": 1.52868347963878, - "a7": 122.564800258632, - "L1": 1.32829213966766, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.007858495062, - "bs": 19.0, - "a2": 110.33934194335, - "a5": 120.619846702214, - "sidechain_LEU": 191, - "chainIndex": 148, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.126341320069 - } -}, -{ - "pk": 2534, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.909284428751, - "psi": 166.25935317163, - "oldID": "149", - "bg": 20.25, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.376548513117, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2536, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2533, - "terminal_flag": false, - "phi": -95.2869285818239, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.67055468621, - "chi2": 161.361941377294, - "chi3": -66.6570559194663, - "chi1": -65.9965300592765, - "chi4": 143.241387328662, - "chi5": 0.777441656611036, - "a1": 121.919932025008, - "L4": 1.5317680090361, - "L5": 1.22126743409123, - "L2": 1.46346548704867, - "L3": 1.52210147472284, - "a7": 120.982638577488, - "L1": 1.32189987878215, - "sidechain_ARG": 122, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.01579985365, - "bs": 22.0, - "a2": 109.875213271761, - "a5": 120.09732485546, - "sidechain_LEU": null, - "chainIndex": 149, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.353711047944 - } -}, -{ - "pk": 2535, + "pk": 1624, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -217420,17 +149745,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.0036221640413, - "sidechain_PHE": 98, + "sidechain_PHE": 67, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2537, + "next": 1625, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 2532, + "prev": 1623, "terminal_flag": false, "phi": -63.1259051986366, "chainID": "A", @@ -217465,68 +149790,7 @@ } }, { - "pk": 2536, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 142, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.12346572149, - "psi": 148.443563744148, - "oldID": "150", - "bg": 14.19, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.0898808299535, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2538, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2534, - "terminal_flag": false, - "phi": -55.8174490273952, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.155710421098, - "chi2": 41.2971216398553, - "chi3": -34.0792972726729, - "chi1": -31.6243968243594, - "chi4": 14.49941307783, - "chi5": null, - "a1": 120.131621499926, - "L4": 1.52239675424124, - "L5": 1.23015820173475, - "L2": 1.46491431307214, - "L3": 1.52515477402087, - "a7": 124.293500233855, - "L1": 1.32242479295029, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -12.3761114983641, - "ss": "-", - "a3": 113.417697418301, - "bs": 15.0, - "a2": 103.291797590429, - "a5": 119.576058464788, - "sidechain_LEU": null, - "chainIndex": 150, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.018424839004 - } -}, -{ - "pk": 2537, + "pk": 1625, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -217548,11 +149812,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2539, + "next": 1626, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 2535, + "prev": 1624, "terminal_flag": false, "phi": -71.5023726331371, "chainID": "A", @@ -217572,7 +149836,7 @@ "L1": 1.32531463637344, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 173, + "sidechain_GLU": 119, "omep": null, "ss": "H", "a3": 112.165044494133, @@ -217587,68 +149851,7 @@ } }, { - "pk": 2538, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.89041197071, - "psi": -40.3334356486769, - "oldID": "151", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.0308175889293, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2540, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2536, - "terminal_flag": false, - "phi": -57.4305101178492, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.752667921445, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.01432863189, - "L4": 1.52288983643627, - "L5": 1.23652858285696, - "L2": 1.46156539279013, - "L3": 1.45905977681334, - "a7": 122.774637474377, - "L1": 1.32835537117445, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.49378911888, - "bs": 14.0, - "a2": 110.453088113489, - "a5": 120.321100183169, - "sidechain_LEU": null, - "chainIndex": 151, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.082840539411 - } -}, -{ - "pk": 2539, + "pk": 1626, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -217665,16 +149868,16 @@ "protein": "1TWF", "zeta": 34.6370118592605, "sidechain_PHE": null, - "sidechain_LYS": 174, + "sidechain_LYS": 98, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2542, + "next": 1627, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2537, + "prev": 1625, "terminal_flag": false, "phi": -63.9270919552823, "chainID": "A", @@ -217709,129 +149912,7 @@ } }, { - "pk": 2540, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.888165631305, - "psi": -39.9411941284986, - "oldID": "152", - "bg": 18.39, - "sidechain_CYS": 50, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6126395492133, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2541, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2538, - "terminal_flag": false, - "phi": -67.1570735652274, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.843152428864, - "chi2": null, - "chi3": null, - "chi1": 55.225331979265, - "chi4": null, - "chi5": null, - "a1": 119.423093322639, - "L4": 1.51971710553035, - "L5": 1.22386509557815, - "L2": 1.44465414265361, - "L3": 1.53781049708522, - "a7": 122.622301678415, - "L1": 1.32989085880684, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.805843118766, - "bs": 17.0, - "a2": 111.811317017641, - "a5": 120.480648325582, - "sidechain_LEU": null, - "chainIndex": 152, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.860678565341 - } -}, -{ - "pk": 2541, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.531549834948, - "psi": -48.4269061345063, - "oldID": "153", - "bg": 15.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9111101583972, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 170, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2543, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2540, - "terminal_flag": false, - "phi": -66.2525432432584, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.564629456237, - "chi2": null, - "chi3": null, - "chi1": 169.917498383693, - "chi4": null, - "chi5": null, - "a1": 122.450083912414, - "L4": 1.50695157841697, - "L5": 1.22490868783002, - "L2": 1.45530898284278, - "L3": 1.54229294889866, - "a7": 122.381147371079, - "L1": 1.31669298466389, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.952029883692, - "bs": 15.0, - "a2": 109.88706330038, - "a5": 121.087175838357, - "sidechain_LEU": null, - "chainIndex": 153, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.948671593948 - } -}, -{ - "pk": 2542, + "pk": 1627, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -217853,11 +149934,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2544, + "next": 1628, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2539, + "prev": 1626, "terminal_flag": false, "phi": -97.8216714890724, "chainID": "A", @@ -217875,7 +149956,7 @@ "L3": 1.52370657600166, "a7": 122.329207328173, "L1": 1.32020744609492, - "sidechain_ARG": 123, + "sidechain_ARG": 84, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -217892,68 +149973,7 @@ } }, { - "pk": 2543, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.175183306099, - "psi": -39.5458666688294, - "oldID": "154", - "bg": 23.88, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5866556215014, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 142, - "sidechain_TRP": null, - "next": 2545, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2541, - "terminal_flag": false, - "phi": -57.1556107469826, - "chainID": "B", - "sidechain_GLN": null, - "ome": -175.700826673462, - "chi2": null, - "chi3": null, - "chi1": -62.7747665546007, - "chi4": null, - "chi5": null, - "a1": 121.180275996033, - "L4": 1.53685076853097, - "L5": 1.24214122816146, - "L2": 1.45210675255421, - "L3": 1.53321628605038, - "a7": 122.560651771704, - "L1": 1.32491285132228, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.530650761763, - "bs": 20.0, - "a2": 108.227134352586, - "a5": 121.264152270382, - "sidechain_LEU": null, - "chainIndex": 154, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.23317740245 - } -}, -{ - "pk": 2544, + "pk": 1628, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -217975,107 +149995,46 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2546, + "next": 1629, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 2542, + "prev": 1627, "terminal_flag": false, "phi": -105.475006760718, "chainID": "A", "sidechain_GLN": null, - "ome": -178.581047465256, - "chi2": -83.9694216570416, - "chi3": null, - "chi1": -64.0737608805503, - "chi4": null, - "chi5": null, - "a1": 118.543896633118, - "L4": 1.52519693076716, - "L5": 1.22885035902426, - "L2": 1.44533486292588, - "L3": 1.52741110334509, - "a7": 122.70650126977, - "L1": 1.32343552393742, - "sidechain_ARG": null, - "sidechain_TYR": 78, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 117.418197512694, - "bs": 44.0, - "a2": 109.421456971308, - "a5": 119.897413554208, - "sidechain_LEU": null, - "chainIndex": 896, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.537331499248 - } -}, -{ - "pk": 2545, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.039371068144, - "psi": -24.142839755739, - "oldID": "155", - "bg": 16.31, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7536321790475, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2547, - "sidechain_SER": 122, - "bm": 15.0, - "xpr": false, - "prev": 2543, - "terminal_flag": false, - "phi": -71.6699314611759, - "chainID": "B", - "sidechain_GLN": null, - "ome": -167.263380462559, - "chi2": null, - "chi3": null, - "chi1": -160.442138472755, - "chi4": null, - "chi5": null, - "a1": 120.275904942198, - "L4": 1.54008335805002, - "L5": 1.21521134148028, - "L2": 1.45176696509996, - "L3": 1.54064729557927, - "a7": 122.447089823431, - "L1": 1.32255676276386, + "ome": -178.581047465256, + "chi2": -83.9694216570416, + "chi3": null, + "chi1": -64.0737608805503, + "chi4": null, + "chi5": null, + "a1": 118.543896633118, + "L4": 1.52519693076716, + "L5": 1.22885035902426, + "L2": 1.44533486292588, + "L3": 1.52741110334509, + "a7": 122.70650126977, + "L1": 1.32343552393742, "sidechain_ARG": null, - "sidechain_TYR": null, + "sidechain_TYR": 38, "sidechain_GLU": null, "omep": null, "ss": "H", - "a3": 114.448777990533, - "bs": 15.0, - "a2": 111.116739088919, - "a5": 120.510726944586, + "a3": 117.418197512694, + "bs": 44.0, + "a2": 109.421456971308, + "a5": 119.897413554208, "sidechain_LEU": null, - "chainIndex": 155, + "chainIndex": 896, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 108.959966471918 + "a4": 110.537331499248 } }, { - "pk": 2546, + "pk": 1629, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -218097,11 +150056,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2548, + "next": 1630, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2544, + "prev": 1628, "terminal_flag": false, "phi": -62.8148892964138, "chainID": "A", @@ -218119,7 +150078,7 @@ "L3": 1.52995527294433, "a7": 122.984174278553, "L1": 1.3285181906515, - "sidechain_ARG": 124, + "sidechain_ARG": 85, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -218136,68 +150095,7 @@ } }, { - "pk": 2547, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.960443649789, - "psi": 123.691280124461, - "oldID": "156", - "bg": 18.85, - "sidechain_CYS": 51, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8103302799351, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2549, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2545, - "terminal_flag": false, - "phi": -72.5377988237143, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.00599905011, - "chi2": null, - "chi3": null, - "chi1": -179.474396533752, - "chi4": null, - "chi5": null, - "a1": 120.326879908579, - "L4": 1.49616150099568, - "L5": 1.21251726240701, - "L2": 1.45927496120508, - "L3": 1.52280704236327, - "a7": 122.067274120074, - "L1": 1.32337504025933, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.885210116829, - "bs": 18.0, - "a2": 109.589253197486, - "a5": 119.93139398638, - "sidechain_LEU": null, - "chainIndex": 156, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.303947323066 - } -}, -{ - "pk": 2548, + "pk": 1630, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -218215,15 +150113,15 @@ "zeta": 35.390429936736, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 171, + "sidechain_VAL": 122, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2550, + "next": 1631, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2546, + "prev": 1629, "terminal_flag": false, "phi": -130.721844861573, "chainID": "A", @@ -218258,75 +150156,14 @@ } }, { - "pk": 2549, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 143, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 119.793264509869, - "psi": -24.7669729476043, - "oldID": "157", - "bg": 16.86, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.8528575454744, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2551, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2547, - "terminal_flag": false, - "phi": -79.8778772952116, - "chainID": "B", - "sidechain_GLN": null, - "ome": -171.481781252779, - "chi2": -31.3871665507686, - "chi3": 20.1950233303761, - "chi1": 29.4033284004336, - "chi4": -0.707438827916924, - "chi5": null, - "a1": 119.567714139465, - "L4": 1.53917306554313, - "L5": 1.20798142332138, - "L2": 1.45840067922846, - "L3": 1.52609562885504, - "a7": 122.201105097097, - "L1": 1.32619184018268, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -0.858562486644272, - "ss": "S", - "a3": 116.782605610838, - "bs": 16.0, - "a2": 102.6028123374, - "a5": 118.005629051256, - "sidechain_LEU": null, - "chainIndex": 157, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.9274238653 - } -}, -{ - "pk": 2550, + "pk": 1631, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 154, + "sidechain_ASP": 106, "a6": 117.636217670168, "psi": 95.3600846549606, "oldID": "900", @@ -218341,11 +150178,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2552, + "next": 1632, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2548, + "prev": 1630, "terminal_flag": false, "phi": -121.938098433528, "chainID": "A", @@ -218380,68 +150217,7 @@ } }, { - "pk": 2551, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.091916803913, - "psi": 4.7760065667442, - "oldID": "158", - "bg": 18.19, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 37.3431758933254, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 143, - "sidechain_TRP": null, - "next": 2553, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2549, - "terminal_flag": false, - "phi": -102.84935402238, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.652799526692, - "chi2": null, - "chi3": null, - "chi1": 54.3849983271341, - "chi4": null, - "chi5": null, - "a1": 119.91360172095, - "L4": 1.5012890294483, - "L5": 1.22058289282954, - "L2": 1.47820838201051, - "L3": 1.49031304091806, - "a7": 122.741454186393, - "L1": 1.32362272511561, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 116.643558140602, - "bs": 19.0, - "a2": 108.737220257594, - "a5": 120.152339895601, - "sidechain_LEU": null, - "chainIndex": 158, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.481807183179 - } -}, -{ - "pk": 2552, + "pk": 1632, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -218463,11 +150239,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2555, + "next": 1633, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2550, + "prev": 1631, "terminal_flag": false, "phi": -59.7054705358186, "chainID": "A", @@ -218494,7 +150270,7 @@ "bs": 38.0, "a2": 110.753470218236, "a5": 120.519876832053, - "sidechain_LEU": 192, + "sidechain_LEU": 137, "chainIndex": 900, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -218502,129 +150278,7 @@ } }, { - "pk": 2553, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.784465470471, - "psi": 13.9771552327152, - "oldID": "159", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2554, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2551, - "terminal_flag": false, - "phi": 77.7930850753864, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.263642034032, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.184788278472, - "L4": 1.51299649926027, - "L5": 1.21942817638795, - "L2": 1.4429341042517, - "L3": null, - "a7": 122.557543041519, - "L1": 1.31496638995424, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 110.446975163481, - "bs": 0.0, - "a2": null, - "a5": 119.601833635195, - "sidechain_LEU": null, - "chainIndex": 159, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2554, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.572786861715, - "psi": -41.3388136422081, - "oldID": "160", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6045718481076, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2556, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2553, - "terminal_flag": false, - "phi": -64.7027349911761, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.487405752343, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.338060940353, - "L4": 1.53849910012865, - "L5": 1.23891222746867, - "L2": 1.46482340207751, - "L3": 1.49384022926008, - "a7": 122.310604275718, - "L1": 1.32744661498373, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.236457436636, - "bs": 19.0, - "a2": 110.618881772902, - "a5": 121.11628618031, - "sidechain_LEU": null, - "chainIndex": 160, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.779334470754 - } -}, -{ - "pk": 2555, + "pk": 1633, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -218646,11 +150300,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2557, + "next": 1634, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2552, + "prev": 1632, "terminal_flag": false, "phi": -85.8401832652405, "chainID": "A", @@ -218677,7 +150331,7 @@ "bs": 34.0, "a2": 109.710906141091, "a5": 120.565808404632, - "sidechain_LEU": 193, + "sidechain_LEU": 138, "chainIndex": 901, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -218685,73 +150339,12 @@ } }, { - "pk": 2556, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.339286845587, - "psi": 132.990160329561, - "oldID": "161", - "bg": 18.05, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8521394613004, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 67, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2558, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2554, - "terminal_flag": false, - "phi": -92.954998283242, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.45947551094, - "chi2": -62.4583894169379, - "chi3": -60.8515581099845, - "chi1": -66.4678132159832, - "chi4": null, - "chi5": null, - "a1": 121.22224852339, - "L4": 1.50724917374863, - "L5": 1.2280720712611, - "L2": 1.46934388497932, - "L3": 1.5372939908368, - "a7": 123.367172936656, - "L1": 1.32781296420677, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.841624020168, - "bs": 17.0, - "a2": 112.071914213363, - "a5": 120.293287948987, - "sidechain_LEU": null, - "chainIndex": 161, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.265459375467 - } -}, -{ - "pk": 2557, + "pk": 1634, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 112, + "sidechain_ASN": 65, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.912813015363, @@ -218768,11 +150361,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2559, + "next": 1635, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2555, + "prev": 1633, "terminal_flag": false, "phi": -149.546204457317, "chainID": "A", @@ -218807,68 +150400,7 @@ } }, { - "pk": 2558, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 113, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.874124233832, - "psi": 148.633187466915, - "oldID": "162", - "bg": 18.55, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5105580655825, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2560, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2556, - "terminal_flag": false, - "phi": -139.370623617845, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.502303073888, - "chi2": -93.124834026012, - "chi3": null, - "chi1": -56.7075957289832, - "chi4": null, - "chi5": null, - "a1": 122.351333779241, - "L4": 1.5075645705289, - "L5": 1.21702841198572, - "L2": 1.4572078855331, - "L3": 1.520717071413, - "a7": 123.151618892637, - "L1": 1.33148371152992, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 108.330581322711, - "bs": 18.0, - "a2": 110.36353185111, - "a5": 119.908332703502, - "sidechain_LEU": null, - "chainIndex": 162, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.011480993157 - } -}, -{ - "pk": 2559, + "pk": 1635, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -218888,13 +150420,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 144, + "sidechain_THR": 84, "sidechain_TRP": null, - "next": 2561, + "next": 1636, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 2557, + "prev": 1634, "terminal_flag": false, "phi": -55.781820841407, "chainID": "A", @@ -218929,75 +150461,14 @@ } }, { - "pk": 2560, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.417009518676, - "psi": 144.669777999588, - "oldID": "163", - "bg": 15.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.4429480136645, - "sidechain_PHE": 99, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2562, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2558, - "terminal_flag": false, - "phi": -141.541182172873, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.048501222932, - "chi2": 88.5906721431131, - "chi3": null, - "chi1": 172.225592904352, - "chi4": null, - "chi5": null, - "a1": 122.708260770795, - "L4": 1.514284049153, - "L5": 1.2461461688265, - "L2": 1.45617185831301, - "L3": 1.53350591182671, - "a7": 122.443358812819, - "L1": 1.3252150027383, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 110.891055333672, - "bs": 16.0, - "a2": 109.892434182351, - "a5": 121.138629771141, - "sidechain_LEU": null, - "chainIndex": 163, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.044189023239 - } -}, -{ - "pk": 2561, + "pk": 1636, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 155, + "sidechain_ASP": 107, "a6": 117.786731115636, "psi": -4.9295651051942, "oldID": "905", @@ -219012,11 +150483,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2564, + "next": 1637, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 2559, + "prev": 1635, "terminal_flag": false, "phi": -104.369367754123, "chainID": "A", @@ -219051,129 +150522,7 @@ } }, { - "pk": 2562, - "model": "pgd_core.residue", - "fields": { - "aa": "g", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.806128921147, - "psi": -157.883881685504, - "oldID": "164", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": null, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2563, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2560, - "terminal_flag": false, - "phi": 175.763606491122, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.202901807839, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.574084716119, - "L4": 1.52330753980014, - "L5": 1.21653973203611, - "L2": 1.45467652024931, - "L3": null, - "a7": 121.632562693341, - "L1": 1.32838277808622, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.004368191103, - "bs": 0.0, - "a2": null, - "a5": 121.539895498474, - "sidechain_LEU": null, - "chainIndex": 164, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": null - } -}, -{ - "pk": 2563, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 156, - "a6": 115.844665785841, - "psi": 144.362856796567, - "oldID": "165", - "bg": 20.61, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6340586676986, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2565, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2562, - "terminal_flag": false, - "phi": -65.9830259115275, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.510354465311, - "chi2": -25.2467261591108, - "chi3": null, - "chi1": -66.3432954813151, - "chi4": null, - "chi5": null, - "a1": 120.247894974941, - "L4": 1.5162597378191, - "L5": 1.23116642321822, - "L2": 1.4561851561272, - "L3": 1.51476970193794, - "a7": 123.297684111931, - "L1": 1.32693642281936, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.67071350431, - "bs": 20.0, - "a2": 110.863851236459, - "a5": 120.843595162604, - "sidechain_LEU": null, - "chainIndex": 165, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.71287317675 - } -}, -{ - "pk": 2564, + "pk": 1637, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -219195,11 +150544,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2566, + "next": 1638, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 2561, + "prev": 1636, "terminal_flag": false, "phi": -131.713872043267, "chainID": "A", @@ -219228,74 +150577,13 @@ "a5": 120.956578432663, "sidechain_LEU": null, "chainIndex": 905, - "sidechain_HIS": 76, + "sidechain_HIS": 56, "h_bond_energy": 0.0, "a4": 109.638955001907 } }, { - "pk": 2565, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.544527569617, - "psi": -50.5669900996603, - "oldID": "166", - "bg": 17.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9959305673746, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2567, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2563, - "terminal_flag": false, - "phi": -51.3775461596416, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.750372342208, - "chi2": 58.5639008724426, - "chi3": null, - "chi1": -173.606405361482, - "chi4": null, - "chi5": null, - "a1": 121.70683372096, - "L4": 1.52223605350827, - "L5": 1.22929893628694, - "L2": 1.45487271268263, - "L3": 1.53407406715954, - "a7": 122.980449320737, - "L1": 1.32052897527433, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 115.030447299735, - "bs": 17.0, - "a2": 110.53630236295, - "a5": 120.460974155856, - "sidechain_LEU": 194, - "chainIndex": 166, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.03153501018 - } -}, -{ - "pk": 2566, + "pk": 1638, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -219315,418 +150603,174 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 145, + "sidechain_THR": 85, "sidechain_TRP": null, - "next": 2568, + "next": 1639, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 2564, + "prev": 1637, "terminal_flag": false, "phi": -95.7394315592961, "chainID": "A", "sidechain_GLN": null, - "ome": 178.7943798202, - "chi2": null, - "chi3": null, - "chi1": -54.1066758289711, - "chi4": null, - "chi5": null, - "a1": 120.456966217858, - "L4": 1.51445926223739, - "L5": 1.22859530406577, - "L2": 1.44510991832996, - "L3": 1.53838677631774, - "a7": 123.323330931848, - "L1": 1.32236487432216, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 105.792455401349, - "bs": 59.0, - "a2": 112.038927586851, - "a5": 120.946256869506, - "sidechain_LEU": null, - "chainIndex": 906, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.346797193093 - } -}, -{ - "pk": 2567, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.931695827191, - "psi": -47.3563428152779, - "oldID": "167", - "bg": 23.27, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.558705907402, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2569, - "sidechain_SER": 123, - "bm": 18.0, - "xpr": false, - "prev": 2565, - "terminal_flag": false, - "phi": -52.5156101021846, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.57866116763, - "chi2": null, - "chi3": null, - "chi1": -68.3248161138318, - "chi4": null, - "chi5": null, - "a1": 121.791013719584, - "L4": 1.53416389134008, - "L5": 1.2273603181693, - "L2": 1.45915875230298, - "L3": 1.52733766403066, - "a7": 122.559299279263, - "L1": 1.32205527544707, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 112.007393626218, - "bs": 21.0, - "a2": 110.28209042475, - "a5": 120.507998972384, - "sidechain_LEU": null, - "chainIndex": 167, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.371692987468 - } -}, -{ - "pk": 2568, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": null, - "a6": 116.833699856054, - "psi": 118.177134016678, - "oldID": "908", - "bg": 55.97, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.8735713281864, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2570, - "sidechain_SER": null, - "bm": 59.0, - "xpr": false, - "prev": 2566, - "terminal_flag": false, - "phi": -84.9701770132264, - "chainID": "A", - "sidechain_GLN": null, - "ome": 179.073690571284, - "chi2": 141.792151345537, - "chi3": null, - "chi1": -63.7283247140803, - "chi4": null, - "chi5": null, - "a1": 121.691324001278, - "L4": 1.51550887591009, - "L5": 1.22727099816101, - "L2": 1.44219033680456, - "L3": 1.5221914129045, - "a7": 122.718849932845, - "L1": 1.32251338342503, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 106.223730732935, - "bs": 56.0, - "a2": 109.639821106838, - "a5": 120.442374969206, - "sidechain_LEU": 195, - "chainIndex": 907, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.759096810963 - } -}, -{ - "pk": 2569, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.538102590297, - "psi": -39.9014602522603, - "oldID": "168", - "bg": 26.31, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.5849790017515, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2571, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2567, - "terminal_flag": false, - "phi": -62.2442291703677, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.216182957758, - "chi2": 159.668554838186, - "chi3": 26.950173435409, - "chi1": -78.814306080853, - "chi4": null, - "chi5": null, - "a1": 121.78416700154, - "L4": 1.51686238458823, - "L5": 1.23439393028442, - "L2": 1.47097587354084, - "L3": 1.52696923435946, - "a7": 123.847200960525, - "L1": 1.33188306848536, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 174, - "omep": null, - "ss": "H", - "a3": 111.301570311994, - "bs": 27.0, - "a2": 110.753629572812, - "a5": 120.613192634804, - "sidechain_LEU": null, - "chainIndex": 168, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.091676369228 - } -}, -{ - "pk": 2570, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1TWFA", - "sidechain_ASP": 157, - "a6": 117.743893037965, - "psi": 137.272150720911, - "oldID": "909", - "bg": 70.27, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1TWF", - "zeta": 35.3287544161051, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2573, - "sidechain_SER": null, - "bm": 62.0, - "xpr": false, - "prev": 2568, - "terminal_flag": false, - "phi": -52.6087676547874, - "chainID": "A", - "sidechain_GLN": null, - "ome": -179.816290708314, - "chi2": -75.1107655750982, + "ome": 178.7943798202, + "chi2": null, "chi3": null, - "chi1": -175.440341384455, + "chi1": -54.1066758289711, "chi4": null, "chi5": null, - "a1": 120.689902507942, - "L4": 1.52586093375112, - "L5": 1.22616350582041, - "L2": 1.45132141344376, - "L3": 1.51816661458885, - "a7": 121.957496567609, - "L1": 1.32489902558203, + "a1": 120.456966217858, + "L4": 1.51445926223739, + "L5": 1.22859530406577, + "L2": 1.44510991832996, + "L3": 1.53838677631774, + "a7": 123.323330931848, + "L1": 1.32236487432216, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "-", - "a3": 109.60465830242, - "bs": 70.0, - "a2": 110.109927201021, - "a5": 120.293953294013, + "ss": "S", + "a3": 105.792455401349, + "bs": 59.0, + "a2": 112.038927586851, + "a5": 120.946256869506, "sidechain_LEU": null, - "chainIndex": 908, + "chainIndex": 906, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 109.106529963739 + "a4": 108.346797193093 } }, { - "pk": 2571, + "pk": 1639, "model": "pgd_core.residue", "fields": { - "aa": "m", + "aa": "l", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", + "chain": "1TWFA", "sidechain_ASP": null, - "a6": 116.015544654508, - "psi": -39.8282387537262, - "oldID": "169", - "bg": 18.82, + "a6": 116.833699856054, + "psi": 118.177134016678, + "oldID": "908", + "bg": 55.97, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.888552928832, + "protein": "1TWF", + "zeta": 35.8735713281864, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 68, + "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2572, + "next": 1640, "sidechain_SER": null, - "bm": 17.0, + "bm": 59.0, "xpr": false, - "prev": 2569, + "prev": 1638, "terminal_flag": false, - "phi": -69.8499092658406, - "chainID": "B", + "phi": -84.9701770132264, + "chainID": "A", "sidechain_GLN": null, - "ome": 174.564293982814, - "chi2": -56.2849878902558, - "chi3": 103.757808601797, - "chi1": -69.9653656581629, + "ome": 179.073690571284, + "chi2": 141.792151345537, + "chi3": null, + "chi1": -63.7283247140803, "chi4": null, "chi5": null, - "a1": 122.307103859236, - "L4": 1.53601637324937, - "L5": 1.24374378765489, - "L2": 1.46280546928628, - "L3": 1.51430132615977, - "a7": 122.949131147597, - "L1": 1.32964186361366, + "a1": 121.691324001278, + "L4": 1.51550887591009, + "L5": 1.22727099816101, + "L2": 1.44219033680456, + "L3": 1.5221914129045, + "a7": 122.718849932845, + "L1": 1.32251338342503, "sidechain_ARG": null, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 111.297866283036, - "bs": 18.0, - "a2": 109.55661274403, - "a5": 121.027505454615, - "sidechain_LEU": null, - "chainIndex": 169, + "ss": "-", + "a3": 106.223730732935, + "bs": 56.0, + "a2": 109.639821106838, + "a5": 120.442374969206, + "sidechain_LEU": 139, + "chainIndex": 907, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 111.082406371686 + "a4": 109.759096810963 } }, { - "pk": 2572, + "pk": 1640, "model": "pgd_core.residue", "fields": { - "aa": "e", + "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.103873448831, - "psi": -44.4550326015645, - "oldID": "170", - "bg": 19.0, + "chain": "1TWFA", + "sidechain_ASP": 108, + "a6": 117.743893037965, + "psi": 137.272150720911, + "oldID": "909", + "bg": 70.27, "sidechain_CYS": null, "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9627747322407, + "protein": "1TWF", + "zeta": 35.3287544161051, "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2574, + "next": 1641, "sidechain_SER": null, - "bm": 17.0, + "bm": 62.0, "xpr": false, - "prev": 2571, + "prev": 1639, "terminal_flag": false, - "phi": -59.5180605580995, - "chainID": "B", + "phi": -52.6087676547874, + "chainID": "A", "sidechain_GLN": null, - "ome": 179.903049215827, - "chi2": 170.972458733991, - "chi3": -23.5302509049357, - "chi1": -71.4715895160273, + "ome": -179.816290708314, + "chi2": -75.1107655750982, + "chi3": null, + "chi1": -175.440341384455, "chi4": null, "chi5": null, - "a1": 121.301368325143, - "L4": 1.53111233080568, - "L5": 1.23997705883888, - "L2": 1.46193437577243, - "L3": 1.52679821638361, - "a7": 123.079207480667, - "L1": 1.33372102795057, + "a1": 120.689902507942, + "L4": 1.52586093375112, + "L5": 1.22616350582041, + "L2": 1.45132141344376, + "L3": 1.51816661458885, + "a7": 121.957496567609, + "L1": 1.32489902558203, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 175, + "sidechain_GLU": null, "omep": null, - "ss": "H", - "a3": 110.799256627293, - "bs": 19.0, - "a2": 110.192011851624, - "a5": 120.783027542296, + "ss": "-", + "a3": 109.60465830242, + "bs": 70.0, + "a2": 110.109927201021, + "a5": 120.293953294013, "sidechain_LEU": null, - "chainIndex": 170, + "chainIndex": 908, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.675320365519 + "a4": 109.106529963739 } }, { - "pk": 2573, + "pk": 1641, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 144, + "sidechain_PRO": 90, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -219744,11 +150788,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2575, + "next": 1642, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 2570, + "prev": 1640, "terminal_flag": false, "phi": -53.0790508242033, "chainID": "A", @@ -219783,68 +150827,7 @@ } }, { - "pk": 2574, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.700842551085, - "psi": -42.1876933353137, - "oldID": "171", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.8254725174694, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2576, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2572, - "terminal_flag": false, - "phi": -66.7319043052996, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.94153750385, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.153590691918, - "L4": 1.5330113648294, - "L5": 1.24482049776788, - "L2": 1.4595386592324, - "L3": 1.52314776618374, - "a7": 123.032363201378, - "L1": 1.33057855887343, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.20390532326, - "bs": 18.0, - "a2": 110.561208977311, - "a5": 121.256366544058, - "sidechain_LEU": null, - "chainIndex": 171, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.33074376932 - } -}, -{ - "pk": 2575, + "pk": 1642, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -219866,11 +150849,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2577, - "sidechain_SER": 124, + "next": 1643, + "sidechain_SER": 80, "bm": 62.0, "xpr": false, - "prev": 2573, + "prev": 1641, "terminal_flag": false, "phi": -85.7374229907918, "chainID": "A", @@ -219905,68 +150888,7 @@ } }, { - "pk": 2576, - "model": "pgd_core.residue", - "fields": { - "aa": "m", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.274934387871, - "psi": -48.552729509543, - "oldID": "172", - "bg": 19.63, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0385321409397, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": 69, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2578, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2574, - "terminal_flag": false, - "phi": -60.0824222376074, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.689449748226, - "chi2": -176.396870795582, - "chi3": -80.9564946401581, - "chi1": -168.76801716382, - "chi4": null, - "chi5": null, - "a1": 121.300681812969, - "L4": 1.52753025178841, - "L5": 1.23364420299927, - "L2": 1.45230525029688, - "L3": 1.53139084143906, - "a7": 122.540563583379, - "L1": 1.33018798928292, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.262868689111, - "bs": 20.0, - "a2": 109.804588227153, - "a5": 121.184501037861, - "sidechain_LEU": null, - "chainIndex": 172, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.816496217746 - } -}, -{ - "pk": 2577, + "pk": 1643, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -219988,11 +150910,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2580, + "next": 1644, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 2575, + "prev": 1642, "terminal_flag": false, "phi": -86.3554332651947, "chainID": "A", @@ -220019,7 +150941,7 @@ "bs": 58.0, "a2": 110.999074816229, "a5": 120.537507005109, - "sidechain_LEU": 196, + "sidechain_LEU": 140, "chainIndex": 911, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -220027,129 +150949,7 @@ } }, { - "pk": 2578, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.259099444378, - "psi": -48.3826979966079, - "oldID": "173", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3181882015474, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2579, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2576, - "terminal_flag": false, - "phi": -56.5356791279624, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.780661905534, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.330099721699, - "L4": 1.53478085867154, - "L5": 1.23196808327544, - "L2": 1.45828406797139, - "L3": 1.52514347812814, - "a7": 122.876777923785, - "L1": 1.32819006573731, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.446924320789, - "bs": 16.0, - "a2": 109.72327275381, - "a5": 120.858891650889, - "sidechain_LEU": null, - "chainIndex": 173, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.4252185813 - } -}, -{ - "pk": 2579, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.944639161347, - "psi": -45.0088729979384, - "oldID": "174", - "bg": 25.19, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.217485239357, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2581, - "sidechain_SER": 125, - "bm": 17.0, - "xpr": false, - "prev": 2578, - "terminal_flag": false, - "phi": -60.9398667915549, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.721676260792, - "chi2": null, - "chi3": null, - "chi1": -83.5123023641116, - "chi4": null, - "chi5": null, - "a1": 121.857128223857, - "L4": 1.51525724739268, - "L5": 1.22460591649831, - "L2": 1.46324640992827, - "L3": 1.52158337011748, - "a7": 122.93124803573, - "L1": 1.32921310936398, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.800614156476, - "bs": 22.0, - "a2": 110.180855215609, - "a5": 121.066668478335, - "sidechain_LEU": null, - "chainIndex": 174, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.029543433849 - } -}, -{ - "pk": 2580, + "pk": 1644, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -220171,11 +150971,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2582, + "next": 1645, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 2577, + "prev": 1643, "terminal_flag": false, "phi": -154.859013102672, "chainID": "A", @@ -220202,7 +151002,7 @@ "bs": 62.0, "a2": 108.844017763737, "a5": 120.769893187174, - "sidechain_LEU": 197, + "sidechain_LEU": 141, "chainIndex": 912, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -220210,68 +151010,7 @@ } }, { - "pk": 2581, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.268013510153, - "psi": -40.4705113745278, - "oldID": "175", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0969791630533, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2583, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2579, - "terminal_flag": false, - "phi": -62.3002377586021, - "chainID": "B", - "sidechain_GLN": null, - "ome": -176.598971916073, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.050540910588, - "L4": 1.53342309399374, - "L5": 1.2329855358484, - "L2": 1.44652288822159, - "L3": 1.53971136200264, - "a7": 122.190663341043, - "L1": 1.31885764660355, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.986487779795, - "bs": 17.0, - "a2": 110.198870613066, - "a5": 120.535130952644, - "sidechain_LEU": null, - "chainIndex": 175, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.655972080884 - } -}, -{ - "pk": 2582, + "pk": 1645, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -220293,11 +151032,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2584, + "next": 1646, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 2580, + "prev": 1644, "terminal_flag": false, "phi": -55.5179029324232, "chainID": "A", @@ -220317,7 +151056,7 @@ "L1": 1.33040895583105, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 176, + "sidechain_GLU": 120, "omep": null, "ss": "T", "a3": 109.976667275469, @@ -220332,68 +151071,7 @@ } }, { - "pk": 2583, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.069008847929, - "psi": -39.7001295600757, - "oldID": "176", - "bg": 17.32, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.4644609906328, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2585, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2581, - "terminal_flag": false, - "phi": -70.4463052206047, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.741772192916, - "chi2": 61.8831364930132, - "chi3": 173.499725159421, - "chi1": 175.520959194528, - "chi4": 161.074114758526, - "chi5": 0.103140114797717, - "a1": 119.51974207421, - "L4": 1.51988884832035, - "L5": 1.23701741006973, - "L2": 1.45831062356997, - "L3": 1.52136835968051, - "a7": 123.548504349923, - "L1": 1.32818122223612, - "sidechain_ARG": 125, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.142728689526, - "bs": 19.0, - "a2": 111.998828415622, - "a5": 120.381040745708, - "sidechain_LEU": null, - "chainIndex": 176, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.791226959033 - } -}, -{ - "pk": 2584, + "pk": 1646, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -220415,11 +151093,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2586, - "sidechain_SER": 126, + "next": 1647, + "sidechain_SER": 81, "bm": 60.0, "xpr": false, - "prev": 2582, + "prev": 1645, "terminal_flag": false, "phi": -66.3011729358805, "chainID": "A", @@ -220454,68 +151132,7 @@ } }, { - "pk": 2585, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.97419347742, - "psi": -43.1083952480441, - "oldID": "177", - "bg": 17.83, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8635719585627, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2587, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2583, - "terminal_flag": false, - "phi": -58.1634510727031, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.337693090381, - "chi2": 57.9464733706379, - "chi3": null, - "chi1": 173.613668596862, - "chi4": null, - "chi5": null, - "a1": 120.805251195124, - "L4": 1.52749065886326, - "L5": 1.22794194172826, - "L2": 1.45643856295118, - "L3": 1.52947536204789, - "a7": 122.443325713464, - "L1": 1.33443711294958, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 110.313830062244, - "bs": 18.0, - "a2": 111.661829309929, - "a5": 120.562911353469, - "sidechain_LEU": 198, - "chainIndex": 177, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.10865651433 - } -}, -{ - "pk": 2586, + "pk": 1647, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -220537,11 +151154,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2589, + "next": 1648, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 2584, + "prev": 1646, "terminal_flag": false, "phi": -56.4651791794924, "chainID": "A", @@ -220576,129 +151193,7 @@ } }, { - "pk": 2587, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.967763828208, - "psi": -36.6603956330925, - "oldID": "178", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5563033023805, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2588, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2585, - "terminal_flag": false, - "phi": -60.6650139227359, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.3753247019, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.418447674646, - "L4": 1.52357097747858, - "L5": 1.23225878074257, - "L2": 1.45292047276977, - "L3": 1.53949660483402, - "a7": 123.501302383882, - "L1": 1.33132344658671, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 111.733130299849, - "bs": 21.0, - "a2": 110.886744127013, - "a5": 120.530669773531, - "sidechain_LEU": null, - "chainIndex": 178, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.478506443113 - } -}, -{ - "pk": 2588, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.286572838038, - "psi": -22.5887376560019, - "oldID": "179", - "bg": 24.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1180647794931, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2590, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 2587, - "terminal_flag": false, - "phi": -67.4714299665988, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.647873131781, - "chi2": -173.281750630979, - "chi3": 15.1317951874524, - "chi1": -173.817741323435, - "chi4": null, - "chi5": null, - "a1": 123.414622629308, - "L4": 1.53145188547026, - "L5": 1.23436182815691, - "L2": 1.46422137600615, - "L3": 1.52727912998728, - "a7": 122.309581019135, - "L1": 1.32641280357991, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 177, - "omep": null, - "ss": "H", - "a3": 114.347858587901, - "bs": 24.0, - "a2": 108.842113889199, - "a5": 120.401022953563, - "sidechain_LEU": null, - "chainIndex": 179, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.32066751319 - } -}, -{ - "pk": 2589, + "pk": 1648, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -220720,11 +151215,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2591, - "sidechain_SER": 127, + "next": 1649, + "sidechain_SER": 82, "bm": 61.0, "xpr": false, - "prev": 2586, + "prev": 1647, "terminal_flag": false, "phi": -68.098480975959, "chainID": "A", @@ -220759,68 +151254,7 @@ } }, { - "pk": 2590, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.941132343246, - "psi": -7.95649093314379, - "oldID": "180", - "bg": 21.97, - "sidechain_CYS": null, - "sidechain_ILE": 147, - "protein": "1H0H", - "zeta": 33.9252535819303, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2597, - "sidechain_SER": null, - "bm": 23.0, - "xpr": false, - "prev": 2588, - "terminal_flag": false, - "phi": -117.623161987983, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.395980834604, - "chi2": 164.824847465715, - "chi3": null, - "chi1": 75.4270717044525, - "chi4": null, - "chi5": null, - "a1": 120.90053957659, - "L4": 1.52862289434811, - "L5": 1.23448349116313, - "L2": 1.46019308778236, - "L3": 1.53908112100223, - "a7": 122.407900361817, - "L1": 1.33120903726109, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 114.660801945791, - "bs": 22.0, - "a2": 110.195945838388, - "a5": 119.642860429025, - "sidechain_LEU": null, - "chainIndex": 180, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.589244215107 - } -}, -{ - "pk": 2591, + "pk": 1649, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -220842,11 +151276,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2592, + "next": 1650, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 2589, + "prev": 1648, "terminal_flag": false, "phi": -92.8545713253343, "chainID": "A", @@ -220866,7 +151300,7 @@ "L1": 1.32571517147564, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 178, + "sidechain_GLU": 121, "omep": null, "ss": "H", "a3": 113.155012203049, @@ -220881,7 +151315,7 @@ } }, { - "pk": 2592, + "pk": 1650, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -220894,7 +151328,7 @@ "oldID": "919", "bg": 60.69, "sidechain_CYS": null, - "sidechain_ILE": 148, + "sidechain_ILE": 97, "protein": "1TWF", "zeta": 34.3837889874952, "sidechain_PHE": null, @@ -220903,11 +151337,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2593, + "next": 1651, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 2591, + "prev": 1649, "terminal_flag": false, "phi": -84.8505611029093, "chainID": "A", @@ -220942,7 +151376,7 @@ } }, { - "pk": 2593, + "pk": 1651, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -220964,11 +151398,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2594, + "next": 1652, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 2592, + "prev": 1650, "terminal_flag": false, "phi": -45.819688758632, "chainID": "A", @@ -220995,7 +151429,7 @@ "bs": 50.0, "a2": 111.275659242124, "a5": 121.312601452254, - "sidechain_LEU": 199, + "sidechain_LEU": 142, "chainIndex": 919, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -221003,7 +151437,7 @@ } }, { - "pk": 2594, + "pk": 1652, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -221025,11 +151459,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2595, + "next": 1653, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 2593, + "prev": 1651, "terminal_flag": false, "phi": 56.7877944645781, "chainID": "A", @@ -221064,14 +151498,14 @@ } }, { - "pk": 2595, + "pk": 1653, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 158, + "sidechain_ASP": 109, "a6": 115.991784496202, "psi": 92.4874766738196, "oldID": "922", @@ -221086,11 +151520,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2596, + "next": 1654, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 2594, + "prev": 1652, "terminal_flag": false, "phi": -89.858138439939, "chainID": "A", @@ -221125,7 +151559,7 @@ } }, { - "pk": 2596, + "pk": 1654, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -221147,11 +151581,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2598, + "next": 1655, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2595, + "prev": 1653, "terminal_flag": false, "phi": -45.0510803208497, "chainID": "A", @@ -221178,7 +151612,7 @@ "bs": 47.0, "a2": 109.949892221061, "a5": 120.096558381572, - "sidechain_LEU": 200, + "sidechain_LEU": 143, "chainIndex": 922, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -221186,68 +151620,7 @@ } }, { - "pk": 2597, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.238969058009, - "psi": -39.2843329520483, - "oldID": "181", - "bg": 26.03, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.9632842053056, - "sidechain_PHE": null, - "sidechain_LYS": 175, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2599, - "sidechain_SER": null, - "bm": 25.0, - "xpr": false, - "prev": 2590, - "terminal_flag": false, - "phi": -50.0774902611062, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.868912896537, - "chi2": -83.1115708431056, - "chi3": 65.1580012252752, - "chi1": -92.2842139817158, - "chi4": 168.105626297829, - "chi5": null, - "a1": 120.445375223924, - "L4": 1.53898960783988, - "L5": 1.23747995217485, - "L2": 1.46101959484869, - "L3": 1.53313084826663, - "a7": 122.626939209943, - "L1": 1.32856814922169, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.810262692447, - "bs": 26.0, - "a2": 110.415486138799, - "a5": 121.089798803691, - "sidechain_LEU": null, - "chainIndex": 181, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.827921251139 - } -}, -{ - "pk": 2598, + "pk": 1655, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -221264,16 +151637,16 @@ "protein": "1TWF", "zeta": 33.5585012215233, "sidechain_PHE": null, - "sidechain_LYS": 176, + "sidechain_LYS": 99, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2600, + "next": 1656, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2596, + "prev": 1654, "terminal_flag": false, "phi": -59.5083644247312, "chainID": "A", @@ -221292,84 +151665,23 @@ "a7": 121.375627555529, "L1": 1.33152562077835, "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "H", - "a3": 113.845093342157, - "bs": 56.0, - "a2": 111.034473231714, - "a5": 119.513710271986, - "sidechain_LEU": null, - "chainIndex": 923, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.441265688796 - } -}, -{ - "pk": 2599, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.892670404068, - "psi": -55.9150030168284, - "oldID": "182", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.9826227152345, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2601, - "sidechain_SER": null, - "bm": 28.0, - "xpr": false, - "prev": 2597, - "terminal_flag": false, - "phi": -63.256635998115, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.167612455109, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.431262091327, - "L4": 1.52520765636027, - "L5": 1.23685806192848, - "L2": 1.45615279779359, - "L3": 1.52419266669882, - "a7": 124.052644602174, - "L1": 1.32501281747078, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.297967596001, - "bs": 29.0, - "a2": 110.305193608708, - "a5": 120.053258898501, + "sidechain_TYR": null, + "sidechain_GLU": null, + "omep": null, + "ss": "H", + "a3": 113.845093342157, + "bs": 56.0, + "a2": 111.034473231714, + "a5": 119.513710271986, "sidechain_LEU": null, - "chainIndex": 182, + "chainIndex": 923, "sidechain_HIS": null, "h_bond_energy": 0.0, - "a4": 110.414051046244 + "a4": 109.441265688796 } }, { - "pk": 2600, + "pk": 1656, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -221391,11 +151703,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2602, + "next": 1657, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2598, + "prev": 1655, "terminal_flag": false, "phi": -68.2224883131158, "chainID": "A", @@ -221422,7 +151734,7 @@ "bs": 41.0, "a2": 111.691678927307, "a5": 120.435552834186, - "sidechain_LEU": 201, + "sidechain_LEU": 144, "chainIndex": 924, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -221430,68 +151742,7 @@ } }, { - "pk": 2601, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.376389427237, - "psi": -36.5428513252892, - "oldID": "183", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0304035077564, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2603, - "sidechain_SER": null, - "bm": 30.0, - "xpr": false, - "prev": 2599, - "terminal_flag": false, - "phi": -68.1211692047203, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.132514803753, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 123.091789649591, - "L4": 1.527814057146, - "L5": 1.23382261749801, - "L2": 1.45983918386027, - "L3": 1.54581083301855, - "a7": 122.957263192403, - "L1": 1.33216722250764, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.657268101698, - "bs": 30.0, - "a2": 110.550891190399, - "a5": 120.664728629475, - "sidechain_LEU": null, - "chainIndex": 183, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.191098572641 - } -}, -{ - "pk": 2602, + "pk": 1657, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -221513,15 +151764,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2604, + "next": 1658, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 2600, + "prev": 1656, "terminal_flag": false, "phi": -48.306113768804, "chainID": "A", - "sidechain_GLN": 97, + "sidechain_GLN": 70, "ome": 179.075514984144, "chi2": -43.9357671177049, "chi3": -63.637179468036, @@ -221552,68 +151803,7 @@ } }, { - "pk": 2603, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.19688331363, - "psi": 79.4255938888685, - "oldID": "184", - "bg": 30.73, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.7110680197115, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2605, - "sidechain_SER": null, - "bm": 29.0, - "xpr": false, - "prev": 2601, - "terminal_flag": false, - "phi": -117.560070967492, - "chainID": "B", - "sidechain_GLN": null, - "ome": -173.261078684696, - "chi2": -77.2525611774543, - "chi3": null, - "chi1": -68.7155678142793, - "chi4": null, - "chi5": null, - "a1": 121.727423506044, - "L4": 1.50150557065958, - "L5": 1.22423699301463, - "L2": 1.45516454390528, - "L3": 1.53782614169274, - "a7": 122.856636893877, - "L1": 1.3308014942181, - "sidechain_ARG": null, - "sidechain_TYR": 79, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 107.07405448447, - "bs": 31.0, - "a2": 111.045031705665, - "a5": 121.93956511896, - "sidechain_LEU": null, - "chainIndex": 184, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.689930874791 - } -}, -{ - "pk": 2604, + "pk": 1658, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -221631,15 +151821,15 @@ "zeta": 34.2533155853428, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 172, + "sidechain_VAL": 123, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2606, + "next": 1659, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2602, + "prev": 1657, "terminal_flag": false, "phi": -62.5819760521095, "chainID": "A", @@ -221674,68 +151864,7 @@ } }, { - "pk": 2605, - "model": "pgd_core.residue", - "fields": { - "aa": "s", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.691162784855, - "psi": -10.1062292669271, - "oldID": "185", - "bg": 30.89, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 30.6841138639441, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2607, - "sidechain_SER": 128, - "bm": 28.0, - "xpr": false, - "prev": 2603, - "terminal_flag": false, - "phi": -65.2251205366308, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.514839156768, - "chi2": null, - "chi3": null, - "chi1": 56.2900964962269, - "chi4": null, - "chi5": null, - "a1": 119.299581343904, - "L4": 1.52202993411134, - "L5": 1.23037087395343, - "L2": 1.44678779232333, - "L3": 1.53333432794769, - "a7": 121.866050920909, - "L1": 1.31815612044108, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 113.542066469719, - "bs": 30.0, - "a2": 111.759782116903, - "a5": 120.43380284454, - "sidechain_LEU": null, - "chainIndex": 185, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 112.671641737629 - } -}, -{ - "pk": 2606, + "pk": 1659, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -221757,11 +151886,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2609, + "next": 1660, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2604, + "prev": 1658, "terminal_flag": false, "phi": -69.3117554775526, "chainID": "A", @@ -221788,7 +151917,7 @@ "bs": 43.0, "a2": 110.6249794049, "a5": 120.631343341275, - "sidechain_LEU": 202, + "sidechain_LEU": 145, "chainIndex": 927, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -221796,129 +151925,7 @@ } }, { - "pk": 2607, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 159, - "a6": 116.667206508541, - "psi": 13.3289770487559, - "oldID": "186", - "bg": 28.2, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.8903086095353, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2608, - "sidechain_SER": null, - "bm": 22.0, - "xpr": false, - "prev": 2605, - "terminal_flag": false, - "phi": -105.543222437449, - "chainID": "B", - "sidechain_GLN": null, - "ome": 179.650208140329, - "chi2": 3.49039283157815, - "chi3": null, - "chi1": -58.453037820242, - "chi4": null, - "chi5": null, - "a1": 119.073036471992, - "L4": 1.54454351342888, - "L5": 1.23880104941217, - "L2": 1.46453513268813, - "L3": 1.52657812135425, - "a7": 121.865959843116, - "L1": 1.32729582907817, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.797767069734, - "bs": 28.0, - "a2": 111.110012836517, - "a5": 121.451691227923, - "sidechain_LEU": null, - "chainIndex": 186, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.811169340655 - } -}, -{ - "pk": 2608, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.947080749637, - "psi": 148.509623861786, - "oldID": "187", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.6188998843281, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2610, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2607, - "terminal_flag": false, - "phi": -70.2875018619408, - "chainID": "B", - "sidechain_GLN": null, - "ome": 173.502026540306, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 119.740575249882, - "L4": 1.51466232511028, - "L5": 1.22838355897663, - "L2": 1.45140079602435, - "L3": 1.49236969640426, - "a7": 122.941573777099, - "L1": 1.32411029384814, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.149476036982, - "bs": 16.0, - "a2": 110.48959429877, - "a5": 120.109201867185, - "sidechain_LEU": null, - "chainIndex": 187, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.636560559577 - } -}, -{ - "pk": 2609, + "pk": 1660, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -221940,11 +151947,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2611, + "next": 1661, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2606, + "prev": 1659, "terminal_flag": false, "phi": -70.5726396372984, "chainID": "A", @@ -221971,7 +151978,7 @@ "bs": 48.0, "a2": 109.985924946373, "a5": 120.286649360118, - "sidechain_LEU": 203, + "sidechain_LEU": 146, "chainIndex": 928, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -221979,75 +151986,14 @@ } }, { - "pk": 2610, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.347092903136, - "psi": 166.41860059999, - "oldID": "188", - "bg": 21.87, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.253104240084, - "sidechain_PHE": null, - "sidechain_LYS": 177, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2612, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2608, - "terminal_flag": false, - "phi": -160.897016834396, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.206129619765, - "chi2": 179.834883902226, - "chi3": -76.3963650684815, - "chi1": 54.8267309945504, - "chi4": 159.029879602122, - "chi5": null, - "a1": 119.917508946831, - "L4": 1.51295645557517, - "L5": 1.22135828261803, - "L2": 1.46662686665101, - "L3": 1.52404533761721, - "a7": 123.946425285459, - "L1": 1.32696156861288, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 112.075004726124, - "bs": 23.0, - "a2": 111.178974229414, - "a5": 120.702900227656, - "sidechain_LEU": null, - "chainIndex": 188, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.902773425484 - } -}, -{ - "pk": 2611, + "pk": 1661, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 160, + "sidechain_ASP": 110, "a6": 116.212084295917, "psi": -27.879099419773, "oldID": "930", @@ -222062,11 +152008,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2613, + "next": 1662, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 2609, + "prev": 1660, "terminal_flag": false, "phi": -80.8001161491937, "chainID": "A", @@ -222101,68 +152047,7 @@ } }, { - "pk": 2612, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.64894731827, - "psi": 148.504923349676, - "oldID": "189", - "bg": 16.05, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.4727995412364, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2614, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2610, - "terminal_flag": false, - "phi": -91.4167278863885, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.437764596998, - "chi2": 179.381103875949, - "chi3": null, - "chi1": -63.9859882510736, - "chi4": null, - "chi5": null, - "a1": 121.651060958966, - "L4": 1.51919436810104, - "L5": 1.22168058281799, - "L2": 1.44363363947198, - "L3": 1.51792670560264, - "a7": 122.995158079187, - "L1": 1.3308381114847, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 105.208663642588, - "bs": 16.0, - "a2": 111.07460966154, - "a5": 120.351241020382, - "sidechain_LEU": 204, - "chainIndex": 189, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.694579318907 - } -}, -{ - "pk": 2613, + "pk": 1662, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -222184,11 +152069,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2615, + "next": 1663, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2611, + "prev": 1661, "terminal_flag": false, "phi": -66.1408388176687, "chainID": "A", @@ -222208,7 +152093,7 @@ "L1": 1.32919391031672, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 179, + "sidechain_GLU": 122, "omep": null, "ss": "H", "a3": 108.476321101231, @@ -222223,68 +152108,7 @@ } }, { - "pk": 2614, - "model": "pgd_core.residue", - "fields": { - "aa": "c", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.832013754508, - "psi": 112.804747043301, - "oldID": "190", - "bg": 17.38, - "sidechain_CYS": 52, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.2489544095186, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2616, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2612, - "terminal_flag": false, - "phi": -94.6660636501317, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.241150102725, - "chi2": null, - "chi3": null, - "chi1": -61.8607396976379, - "chi4": null, - "chi5": null, - "a1": 120.919073634779, - "L4": 1.54100523838327, - "L5": 1.22125547978277, - "L2": 1.44692010738363, - "L3": 1.53582953504315, - "a7": 123.162206034447, - "L1": 1.32575236802796, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 109.460279713767, - "bs": 17.0, - "a2": 109.050323260721, - "a5": 120.918727929641, - "sidechain_LEU": null, - "chainIndex": 190, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.418945498878 - } -}, -{ - "pk": 2615, + "pk": 1663, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -222306,11 +152130,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2618, + "next": 1664, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 2613, + "prev": 1662, "terminal_flag": false, "phi": -64.6687967507655, "chainID": "A", @@ -222330,7 +152154,7 @@ "L1": 1.32944835523968, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 180, + "sidechain_GLU": 123, "omep": null, "ss": "H", "a3": 110.596774445579, @@ -222345,129 +152169,7 @@ } }, { - "pk": 2616, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 161, - "a6": 117.27937190301, - "psi": 54.0710106518334, - "oldID": "191", - "bg": 18.77, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.765419804242, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2617, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2614, - "terminal_flag": false, - "phi": 41.3013476148072, - "chainID": "B", - "sidechain_GLN": null, - "ome": -172.276452723481, - "chi2": -31.9685448042407, - "chi3": null, - "chi1": -58.7065304983063, - "chi4": null, - "chi5": null, - "a1": 124.189721328205, - "L4": 1.51914339690343, - "L5": 1.22525346442248, - "L2": 1.46357774817705, - "L3": 1.52481762069272, - "a7": 122.541094335221, - "L1": 1.32806465105886, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 113.467825697882, - "bs": 18.0, - "a2": 108.83653181224, - "a5": 120.170352986487, - "sidechain_LEU": null, - "chainIndex": 191, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.116223862167 - } -}, -{ - "pk": 2617, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 145, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.417703076974, - "psi": -22.6894762096586, - "oldID": "192", - "bg": 18.16, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 38.7015034103842, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2619, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2616, - "terminal_flag": false, - "phi": -60.5278639829984, - "chainID": "B", - "sidechain_GLN": null, - "ome": -179.964767135853, - "chi2": -39.282301968475, - "chi3": 38.597917412166, - "chi1": 23.4389697194763, - "chi4": -24.7074428583874, - "chi5": null, - "a1": 120.882070765246, - "L4": 1.53195416874006, - "L5": 1.21958483506558, - "L2": 1.47413983806291, - "L3": 1.52709883693661, - "a7": 122.744049789061, - "L1": 1.32564878928278, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": 6.02605911434883, - "ss": "T", - "a3": 115.520858768629, - "bs": 17.0, - "a2": 103.176972446234, - "a5": 118.836011133473, - "sidechain_LEU": null, - "chainIndex": 192, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.772037016257 - } -}, -{ - "pk": 2618, + "pk": 1664, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -222489,11 +152191,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2620, + "next": 1665, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 2615, + "prev": 1663, "terminal_flag": false, "phi": -64.4693219901625, "chainID": "A", @@ -222512,7 +152214,7 @@ "a7": 122.629745494887, "L1": 1.32976686502795, "sidechain_ARG": null, - "sidechain_TYR": 80, + "sidechain_TYR": 39, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -222528,68 +152230,7 @@ } }, { - "pk": 2619, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 162, - "a6": 117.34256140962, - "psi": -12.0877969778452, - "oldID": "193", - "bg": 24.41, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.5952522069828, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2621, - "sidechain_SER": null, - "bm": 20.0, - "xpr": false, - "prev": 2617, - "terminal_flag": false, - "phi": -88.3069881809803, - "chainID": "B", - "sidechain_GLN": null, - "ome": -172.004301905543, - "chi2": -30.0525492682857, - "chi3": null, - "chi1": -62.6522859524, - "chi4": null, - "chi5": null, - "a1": 120.436562914362, - "L4": 1.533480686386, - "L5": 1.2418747346893, - "L2": 1.45672850465686, - "L3": 1.52300153467998, - "a7": 122.59957100164, - "L1": 1.32710725068321, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 114.159067139222, - "bs": 24.0, - "a2": 109.617365489693, - "a5": 120.055438288453, - "sidechain_LEU": null, - "chainIndex": 193, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 107.935608150013 - } -}, -{ - "pk": 2620, + "pk": 1665, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -222606,16 +152247,16 @@ "protein": "1TWF", "zeta": 34.2827422198457, "sidechain_PHE": null, - "sidechain_LYS": 178, + "sidechain_LYS": 100, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2622, + "next": 1666, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2618, + "prev": 1664, "terminal_flag": false, "phi": -53.2011992303245, "chainID": "A", @@ -222650,68 +152291,7 @@ } }, { - "pk": 2621, - "model": "pgd_core.residue", - "fields": { - "aa": "d", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": 163, - "a6": 116.993449613132, - "psi": -13.067382358065, - "oldID": "194", - "bg": 23.87, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.2882979339027, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2623, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2619, - "terminal_flag": false, - "phi": -111.04127337338, - "chainID": "B", - "sidechain_GLN": null, - "ome": -173.737826354981, - "chi2": -63.195287191633, - "chi3": null, - "chi1": -49.1379102870864, - "chi4": null, - "chi5": null, - "a1": 120.056201279531, - "L4": 1.52605487873798, - "L5": 1.25306222673199, - "L2": 1.47028544850827, - "L3": 1.53139381772905, - "a7": 122.555544328652, - "L1": 1.3306899429868, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 117.658275875842, - "bs": 24.0, - "a2": 109.733763255267, - "a5": 120.450719241411, - "sidechain_LEU": null, - "chainIndex": 194, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.403750581061 - } -}, -{ - "pk": 2622, + "pk": 1666, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -222733,15 +152313,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2624, + "next": 1667, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 2620, + "prev": 1665, "terminal_flag": false, "phi": -68.1738988406242, "chainID": "A", - "sidechain_GLN": 98, + "sidechain_GLN": 71, "ome": 179.190878349003, "chi2": 57.3367878833152, "chi3": 62.2872767660826, @@ -222772,68 +152352,7 @@ } }, { - "pk": 2623, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.733918162373, - "psi": 164.507894686801, - "oldID": "195", - "bg": 16.19, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1315912059391, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 173, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2625, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2621, - "terminal_flag": false, - "phi": -128.101354800501, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.442731076361, - "chi2": null, - "chi3": null, - "chi1": -54.9664194908901, - "chi4": null, - "chi5": null, - "a1": 120.112057590554, - "L4": 1.52328729545025, - "L5": 1.21997127925029, - "L2": 1.46155676691822, - "L3": 1.54674288816034, - "a7": 122.706353600454, - "L1": 1.33010025258115, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 113.006894585827, - "bs": 15.0, - "a2": 110.542506689178, - "a5": 120.557893679621, - "sidechain_LEU": null, - "chainIndex": 195, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.270925174935 - } -}, -{ - "pk": 2624, + "pk": 1667, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -222855,11 +152374,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2627, + "next": 1668, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 2622, + "prev": 1666, "terminal_flag": false, "phi": -67.2008734640242, "chainID": "A", @@ -222886,7 +152405,7 @@ "bs": 32.0, "a2": 110.569414200393, "a5": 120.782448009459, - "sidechain_LEU": 205, + "sidechain_LEU": 147, "chainIndex": 935, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -222894,129 +152413,7 @@ } }, { - "pk": 2625, - "model": "pgd_core.residue", - "fields": { - "aa": "r", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.932609356156, - "psi": -24.5795000009802, - "oldID": "196", - "bg": 14.16, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.9942215228005, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2626, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2623, - "terminal_flag": false, - "phi": -96.2231989788655, - "chainID": "B", - "sidechain_GLN": null, - "ome": 175.083988646408, - "chi2": 172.003456843718, - "chi3": -177.662024639565, - "chi1": -70.1810297316792, - "chi4": -77.9332628454686, - "chi5": -1.18962685586173, - "a1": 120.277095131787, - "L4": 1.53156029577943, - "L5": 1.22863216325617, - "L2": 1.46072032653305, - "L3": 1.52859294072982, - "a7": 122.345930304549, - "L1": 1.32958787331759, - "sidechain_ARG": 126, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.539508888324, - "bs": 15.0, - "a2": 110.971856062945, - "a5": 120.721132052778, - "sidechain_LEU": null, - "chainIndex": 196, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.672605831981 - } -}, -{ - "pk": 2626, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.571534228056, - "psi": 103.249674853525, - "oldID": "197", - "bg": 13.92, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6256063859455, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 174, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2628, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2625, - "terminal_flag": false, - "phi": -96.3267345658939, - "chainID": "B", - "sidechain_GLN": null, - "ome": -174.815647822347, - "chi2": null, - "chi3": null, - "chi1": -179.82971874762, - "chi4": null, - "chi5": null, - "a1": 120.891527328995, - "L4": 1.52596043060225, - "L5": 1.24400252510641, - "L2": 1.45030963913865, - "L3": 1.54991692941369, - "a7": 122.700737668023, - "L1": 1.32314084462045, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.993308222528, - "bs": 14.0, - "a2": 111.913339518881, - "a5": 120.727180135837, - "sidechain_LEU": null, - "chainIndex": 197, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 111.002071598811 - } -}, -{ - "pk": 2627, + "pk": 1668, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -223034,15 +152431,15 @@ "zeta": 34.874642673018, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 175, + "sidechain_VAL": 124, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2629, + "next": 1669, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 2624, + "prev": 1667, "terminal_flag": false, "phi": -59.0561538516159, "chainID": "A", @@ -223077,68 +152474,7 @@ } }, { - "pk": 2628, - "model": "pgd_core.residue", - "fields": { - "aa": "i", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 117.748188217061, - "psi": 111.3354611833, - "oldID": "198", - "bg": 16.16, - "sidechain_CYS": null, - "sidechain_ILE": 149, - "protein": "1H0H", - "zeta": 33.9525696043023, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2631, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2626, - "terminal_flag": false, - "phi": -100.223205626564, - "chainID": "B", - "sidechain_GLN": null, - "ome": 177.042165676249, - "chi2": 168.826369090469, - "chi3": null, - "chi1": -53.7109880869399, - "chi4": null, - "chi5": null, - "a1": 120.927089212335, - "L4": 1.54371864414794, - "L5": 1.23477869238155, - "L2": 1.45666275369641, - "L3": 1.54450705414846, - "a7": 122.6141608729, - "L1": 1.33455225711703, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.806926820362, - "bs": 15.0, - "a2": 111.223374708113, - "a5": 119.632491169919, - "sidechain_LEU": null, - "chainIndex": 198, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.807789114581 - } -}, -{ - "pk": 2629, + "pk": 1669, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -223155,16 +152491,16 @@ "protein": "1TWF", "zeta": 34.8096538947044, "sidechain_PHE": null, - "sidechain_LYS": 179, + "sidechain_LYS": 101, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2630, + "next": 1670, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2627, + "prev": 1668, "terminal_flag": false, "phi": -66.3965743958747, "chainID": "A", @@ -223199,14 +152535,14 @@ } }, { - "pk": 2630, + "pk": 1670, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 164, + "sidechain_ASP": 111, "a6": 116.656272822491, "psi": -46.6832895762433, "oldID": "939", @@ -223221,11 +152557,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2633, + "next": 1671, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 2629, + "prev": 1669, "terminal_flag": false, "phi": -57.2652805376797, "chainID": "A", @@ -223260,129 +152596,7 @@ } }, { - "pk": 2631, - "model": "pgd_core.residue", - "fields": { - "aa": "f", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.467480925645, - "psi": 135.514837660912, - "oldID": "199", - "bg": 15.26, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.0006165522856, - "sidechain_PHE": 100, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2632, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2628, - "terminal_flag": false, - "phi": -91.1408503932407, - "chainID": "B", - "sidechain_GLN": null, - "ome": 170.965654564474, - "chi2": 83.3100269991087, - "chi3": null, - "chi1": -63.5561960538146, - "chi4": null, - "chi5": null, - "a1": 121.453471310315, - "L4": 1.53110207750285, - "L5": 1.24610819805551, - "L2": 1.47162074965744, - "L3": 1.51750401480847, - "a7": 123.843307067605, - "L1": 1.33698398934888, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 113.208102585072, - "bs": 15.0, - "a2": 112.539975400375, - "a5": 120.683321011822, - "sidechain_LEU": null, - "chainIndex": 199, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 105.886760340567 - } -}, -{ - "pk": 2632, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.652525490089, - "psi": 130.142885365027, - "oldID": "200", - "bg": 15.63, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.1958939801427, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2634, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2631, - "terminal_flag": false, - "phi": -100.666381659227, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.129757885435, - "chi2": 62.2718782655861, - "chi3": null, - "chi1": 169.618867980925, - "chi4": null, - "chi5": null, - "a1": 122.726010243436, - "L4": 1.51096611400003, - "L5": 1.239460901759, - "L2": 1.44805226654825, - "L3": 1.53427059545277, - "a7": 123.420279852178, - "L1": 1.33161623002279, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 106.316990300152, - "bs": 16.0, - "a2": 111.746442628174, - "a5": 119.866224836792, - "sidechain_LEU": 206, - "chainIndex": 200, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.820331458992 - } -}, -{ - "pk": 2633, + "pk": 1671, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -223404,11 +152618,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2635, + "next": 1672, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 2630, + "prev": 1670, "terminal_flag": false, "phi": -52.4644972893401, "chainID": "A", @@ -223426,7 +152640,7 @@ "L3": 1.5255864653921, "a7": 122.449933128885, "L1": 1.32473213731015, - "sidechain_ARG": 127, + "sidechain_ARG": 86, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -223443,68 +152657,7 @@ } }, { - "pk": 2634, - "model": "pgd_core.residue", - "fields": { - "aa": "t", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.442579575036, - "psi": 153.183790827332, - "oldID": "201", - "bg": 20.85, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.065327456619, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": 146, - "sidechain_TRP": null, - "next": 2636, - "sidechain_SER": null, - "bm": 17.0, - "xpr": false, - "prev": 2632, - "terminal_flag": false, - "phi": -120.971505328737, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.236786623901, - "chi2": null, - "chi3": null, - "chi1": 50.0270887627761, - "chi4": null, - "chi5": null, - "a1": 122.003229016276, - "L4": 1.50138157619848, - "L5": 1.23388283201278, - "L2": 1.4586790667114, - "L3": 1.53992550556826, - "a7": 123.397906205927, - "L1": 1.32808822482407, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "E", - "a3": 107.93621558632, - "bs": 19.0, - "a2": 112.761644182164, - "a5": 120.157187076055, - "sidechain_LEU": null, - "chainIndex": 201, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.654050017394 - } -}, -{ - "pk": 2635, + "pk": 1672, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -223521,16 +152674,16 @@ "protein": "1TWF", "zeta": 35.1156990650594, "sidechain_PHE": null, - "sidechain_LYS": 180, + "sidechain_LYS": 102, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2637, + "next": 1673, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 2633, + "prev": 1671, "terminal_flag": false, "phi": -62.1642588394468, "chainID": "A", @@ -223565,68 +152718,7 @@ } }, { - "pk": 2636, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.468995436964, - "psi": -9.16214965209426, - "oldID": "202", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.6701055849596, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2638, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2634, - "terminal_flag": false, - "phi": -93.6710686240647, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.690550222076, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 121.087327138308, - "L4": 1.53091135340595, - "L5": 1.21049119131517, - "L2": 1.44898380010581, - "L3": 1.53187239270839, - "a7": 123.125315672276, - "L1": 1.33152693265648, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.030733181792, - "bs": 15.0, - "a2": 110.354832963415, - "a5": 120.401607633295, - "sidechain_LEU": null, - "chainIndex": 202, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.659348050623 - } -}, -{ - "pk": 2637, + "pk": 1673, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -223642,17 +152734,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7182908356899, - "sidechain_PHE": 101, + "sidechain_PHE": 68, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2640, + "next": 1674, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 2635, + "prev": 1672, "terminal_flag": false, "phi": -47.1463190649116, "chainID": "A", @@ -223687,129 +152779,7 @@ } }, { - "pk": 2638, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.315865047273, - "psi": 178.142776775687, - "oldID": "203", - "bg": 17.08, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 35.9413056985269, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2639, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2636, - "terminal_flag": false, - "phi": -145.796173149507, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.855590091982, - "chi2": null, - "chi3": null, - "chi1": -45.0883614524099, - "chi4": null, - "chi5": null, - "a1": 122.44126749889, - "L4": 1.51521176718772, - "L5": 1.22449091688171, - "L2": 1.45286701652226, - "L3": 1.54009887766355, - "a7": 123.232479764507, - "L1": 1.3253467141568, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 108.135604030664, - "bs": 18.0, - "a2": 110.307172031424, - "a5": 120.451573943736, - "sidechain_LEU": null, - "chainIndex": 203, - "sidechain_HIS": 77, - "h_bond_energy": 0.0, - "a4": 108.699010451191 - } -}, -{ - "pk": 2639, - "model": "pgd_core.residue", - "fields": { - "aa": "n", - "sidechain_PRO": null, - "sidechain_ASN": 114, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.513401093283, - "psi": 116.298511188944, - "oldID": "204", - "bg": 17.52, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 36.2421428551203, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2641, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2638, - "terminal_flag": false, - "phi": -38.886097536121, - "chainID": "B", - "sidechain_GLN": null, - "ome": 178.335276650795, - "chi2": 11.5447453027648, - "chi3": null, - "chi1": 173.615107742277, - "chi4": null, - "chi5": null, - "a1": 122.021543807962, - "L4": 1.53915132549519, - "L5": 1.23002873842813, - "L2": 1.45119129824009, - "L3": 1.51962888264852, - "a7": 123.148358751852, - "L1": 1.32431434066354, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 111.333314602467, - "bs": 17.0, - "a2": 108.003431342493, - "a5": 120.221751856633, - "sidechain_LEU": null, - "chainIndex": 204, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.392495745657 - } -}, -{ - "pk": 2640, + "pk": 1674, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -223831,11 +152801,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2642, + "next": 1675, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 2637, + "prev": 1673, "terminal_flag": false, "phi": -63.1512821739161, "chainID": "A", @@ -223862,7 +152832,7 @@ "bs": 19.0, "a2": 110.659967138315, "a5": 120.127571657518, - "sidechain_LEU": 207, + "sidechain_LEU": 148, "chainIndex": 942, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -223870,68 +152840,7 @@ } }, { - "pk": 2641, - "model": "pgd_core.residue", - "fields": { - "aa": "p", - "sidechain_PRO": 146, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.830045338892, - "psi": -36.9166590884869, - "oldID": "205", - "bg": 16.69, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 39.133212410231, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2643, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2639, - "terminal_flag": false, - "phi": -44.1893138005084, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.846607831828, - "chi2": 34.2482684615355, - "chi3": -21.6301611149301, - "chi1": -33.2674600589507, - "chi4": 0.101613714707405, - "chi5": null, - "a1": 124.332296689419, - "L4": 1.52756309940116, - "L5": 1.24625385801461, - "L2": 1.47207162032369, - "L3": 1.53790370838219, - "a7": 123.372983596366, - "L1": 1.3345510711107, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": -6.32908983266278, - "ss": "G", - "a3": 115.962773191472, - "bs": 16.0, - "a2": 102.549118776834, - "a5": 120.77472492079, - "sidechain_LEU": null, - "chainIndex": 205, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.888310335786 - } -}, -{ - "pk": 2642, + "pk": 1675, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -223953,11 +152862,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2644, + "next": 1676, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 2640, + "prev": 1674, "terminal_flag": false, "phi": -66.5658628084779, "chainID": "A", @@ -223975,7 +152884,7 @@ "L3": 1.52922663532685, "a7": 121.505075873645, "L1": 1.33004066417858, - "sidechain_ARG": 128, + "sidechain_ARG": 87, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -223992,68 +152901,7 @@ } }, { - "pk": 2643, - "model": "pgd_core.residue", - "fields": { - "aa": "k", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.837279835014, - "psi": -12.8993726810174, - "oldID": "206", - "bg": 16.79, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 31.5631362564227, - "sidechain_PHE": null, - "sidechain_LYS": 181, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2645, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2641, - "terminal_flag": false, - "phi": -69.2968560461594, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.448331966191, - "chi2": 176.36051977626, - "chi3": 177.878975229424, - "chi1": -73.7428771502485, - "chi4": 45.7776271236766, - "chi5": null, - "a1": 122.250513858285, - "L4": 1.54110771788205, - "L5": 1.23392657761422, - "L2": 1.44964707042067, - "L3": 1.53534160008972, - "a7": 122.031676046616, - "L1": 1.32669523756444, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 113.054370427534, - "bs": 18.0, - "a2": 109.957995871104, - "a5": 121.130857005819, - "sidechain_LEU": null, - "chainIndex": 206, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 113.475780498633 - } -}, -{ - "pk": 2644, + "pk": 1676, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -224075,11 +152923,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2646, + "next": 1677, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2642, + "prev": 1675, "terminal_flag": false, "phi": -97.9822650726865, "chainID": "A", @@ -224099,7 +152947,7 @@ "L1": 1.32369998375621, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 181, + "sidechain_GLU": 124, "omep": null, "ss": "H", "a3": 108.928895920356, @@ -224114,68 +152962,7 @@ } }, { - "pk": 2645, - "model": "pgd_core.residue", - "fields": { - "aa": "l", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.515647899247, - "psi": -19.7370685622087, - "oldID": "207", - "bg": 14.3, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.3058055424108, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2647, - "sidechain_SER": null, - "bm": 14.0, - "xpr": false, - "prev": 2643, - "terminal_flag": false, - "phi": -79.7421266548638, - "chainID": "B", - "sidechain_GLN": null, - "ome": 176.2366959454, - "chi2": 173.608166955149, - "chi3": null, - "chi1": -67.2863122171439, - "chi4": null, - "chi5": null, - "a1": 120.93254610948, - "L4": 1.5275713263761, - "L5": 1.23493047668046, - "L2": 1.46348583462076, - "L3": 1.52562392988289, - "a7": 122.523085675862, - "L1": 1.32012723211586, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "G", - "a3": 108.485381676327, - "bs": 14.0, - "a2": 111.051851097986, - "a5": 120.954457495133, - "sidechain_LEU": 208, - "chainIndex": 207, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 109.992962603881 - } -}, -{ - "pk": 2646, + "pk": 1677, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -224193,15 +152980,15 @@ "zeta": 34.1404118289884, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 176, + "sidechain_VAL": 125, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2648, + "next": 1678, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2644, + "prev": 1676, "terminal_flag": false, "phi": -73.0658090228486, "chainID": "A", @@ -224236,68 +153023,7 @@ } }, { - "pk": 2647, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.147386394851, - "psi": -42.7973475450442, - "oldID": "208", - "bg": 15.4, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.355800237827, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2649, - "sidechain_SER": null, - "bm": 16.0, - "xpr": false, - "prev": 2645, - "terminal_flag": false, - "phi": -89.9649509957104, - "chainID": "B", - "sidechain_GLN": null, - "ome": -178.365458572177, - "chi2": 72.478887015176, - "chi3": null, - "chi1": -68.2550299277959, - "chi4": null, - "chi5": null, - "a1": 120.687751702868, - "L4": 1.52119612564323, - "L5": 1.23809726314855, - "L2": 1.46990140760754, - "L3": 1.5275644669758, - "a7": 122.724559346636, - "L1": 1.32321610798796, - "sidechain_ARG": null, - "sidechain_TYR": 81, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 111.18673433075, - "bs": 15.0, - "a2": 111.801851971651, - "a5": 121.127646561299, - "sidechain_LEU": null, - "chainIndex": 208, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.371675103501 - } -}, -{ - "pk": 2648, + "pk": 1678, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -224313,17 +153039,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.6345660784812, - "sidechain_PHE": 102, + "sidechain_PHE": 69, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2651, + "next": 1679, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2646, + "prev": 1677, "terminal_flag": false, "phi": -116.317117976483, "chainID": "A", @@ -224358,129 +153084,7 @@ } }, { - "pk": 2649, - "model": "pgd_core.residue", - "fields": { - "aa": "h", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.973012593061, - "psi": 137.976446043303, - "oldID": "209", - "bg": 17.31, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.8034169472985, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2650, - "sidechain_SER": null, - "bm": 15.0, - "xpr": false, - "prev": 2647, - "terminal_flag": false, - "phi": -166.93747587827, - "chainID": "B", - "sidechain_GLN": null, - "ome": -175.318949371708, - "chi2": null, - "chi3": null, - "chi1": 179.132880651401, - "chi4": null, - "chi5": null, - "a1": 120.881785825373, - "L4": 1.50992574325288, - "L5": 1.23849938511452, - "L2": 1.45924998258465, - "L3": 1.53256530029692, - "a7": 123.751332629272, - "L1": 1.32488011690328, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 108.350511447329, - "bs": 17.0, - "a2": 110.295028505766, - "a5": 120.234383225271, - "sidechain_LEU": null, - "chainIndex": 209, - "sidechain_HIS": 78, - "h_bond_energy": 0.0, - "a4": 110.276752183154 - } -}, -{ - "pk": 2650, - "model": "pgd_core.residue", - "fields": { - "aa": "e", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 115.881047927653, - "psi": -23.8788009054738, - "oldID": "210", - "bg": 24.23, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5430341164394, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2652, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2649, - "terminal_flag": false, - "phi": -59.2278056675521, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.966356409024, - "chi2": -176.213897268563, - "chi3": -29.5010860679514, - "chi1": 58.5129079995948, - "chi4": null, - "chi5": null, - "a1": 121.01288355536, - "L4": 1.51267785450357, - "L5": 1.23247442564519, - "L2": 1.47341089476959, - "L3": 1.52858296794551, - "a7": 123.051447092705, - "L1": 1.32999358541947, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": 182, - "omep": null, - "ss": "T", - "a3": 112.614406752263, - "bs": 25.0, - "a2": 110.861948866371, - "a5": 121.052964921383, - "sidechain_LEU": null, - "chainIndex": 210, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.037383934499 - } -}, -{ - "pk": 2651, + "pk": 1679, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -224498,15 +153102,15 @@ "zeta": 34.5470703784038, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 177, + "sidechain_VAL": 126, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2653, + "next": 1680, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 2648, + "prev": 1678, "terminal_flag": false, "phi": -53.9479343832913, "chainID": "A", @@ -224541,75 +153145,14 @@ } }, { - "pk": 2652, - "model": "pgd_core.residue", - "fields": { - "aa": "y", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.13689160424, - "psi": 24.0285327130367, - "oldID": "211", - "bg": 22.71, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 34.0374617333545, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2654, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2650, - "terminal_flag": false, - "phi": -115.854232506275, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.945376715694, - "chi2": -57.3929340523379, - "chi3": null, - "chi1": -57.5855968487561, - "chi4": null, - "chi5": null, - "a1": 121.490872031807, - "L4": 1.50952026792839, - "L5": 1.22149520315875, - "L2": 1.44775106365834, - "L3": 1.51994898036168, - "a7": 123.443940515782, - "L1": 1.32276176845697, - "sidechain_ARG": null, - "sidechain_TYR": 82, - "sidechain_GLU": null, - "omep": null, - "ss": "T", - "a3": 112.199526504057, - "bs": 24.0, - "a2": 110.402108876708, - "a5": 120.382440534488, - "sidechain_LEU": null, - "chainIndex": 211, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.037305489145 - } -}, -{ - "pk": 2653, + "pk": 1680, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 165, + "sidechain_ASP": 112, "a6": 115.760697423571, "psi": -31.7379042357476, "oldID": "949", @@ -224624,11 +153167,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2655, + "next": 1681, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 2651, + "prev": 1679, "terminal_flag": false, "phi": -66.3441516587194, "chainID": "A", @@ -224663,68 +153206,7 @@ } }, { - "pk": 2654, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 118.25587217551, - "psi": -45.5421780217134, - "oldID": "212", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.1901034518767, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2656, - "sidechain_SER": null, - "bm": 19.0, - "xpr": false, - "prev": 2652, - "terminal_flag": false, - "phi": -54.6500321582069, - "chainID": "B", - "sidechain_GLN": null, - "ome": 174.81505438223, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 122.442693838177, - "L4": 1.53196013132142, - "L5": 1.23228319428854, - "L2": 1.46435609528676, - "L3": 1.49908433531585, - "a7": 122.581926974095, - "L1": 1.32256326627807, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "S", - "a3": 112.531509042552, - "bs": 19.0, - "a2": 110.714510358, - "a5": 119.111190548364, - "sidechain_LEU": null, - "chainIndex": 212, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.321305107562 - } -}, -{ - "pk": 2655, + "pk": 1681, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -224746,11 +153228,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2658, + "next": 1682, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 2653, + "prev": 1680, "terminal_flag": false, "phi": 97.5875344878842, "chainID": "A", @@ -224785,129 +153267,7 @@ } }, { - "pk": 2656, - "model": "pgd_core.residue", - "fields": { - "aa": "v", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": 116.729570937244, - "psi": 159.569706404982, - "oldID": "213", - "bg": 19.33, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 32.6147754065819, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": 178, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": 2657, - "sidechain_SER": null, - "bm": 18.0, - "xpr": false, - "prev": 2654, - "terminal_flag": false, - "phi": -120.157128018381, - "chainID": "B", - "sidechain_GLN": null, - "ome": -177.49187040296, - "chi2": null, - "chi3": null, - "chi1": -60.874232961198, - "chi4": null, - "chi5": null, - "a1": 120.365282909338, - "L4": 1.51857415611614, - "L5": 1.22626793551515, - "L2": 1.47529433231751, - "L3": 1.53492620508239, - "a7": 122.83232078284, - "L1": 1.33652564477126, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 109.751895319537, - "bs": 19.0, - "a2": 114.425494070612, - "a5": 120.43650676259, - "sidechain_LEU": null, - "chainIndex": 213, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 108.720468360105 - } -}, -{ - "pk": 2657, - "model": "pgd_core.residue", - "fields": { - "aa": "a", - "sidechain_PRO": null, - "sidechain_ASN": null, - "chain": "1H0HB", - "sidechain_ASP": null, - "a6": null, - "psi": null, - "oldID": "214", - "bg": 0.0, - "sidechain_CYS": null, - "sidechain_ILE": null, - "protein": "1H0H", - "zeta": 33.5543732590874, - "sidechain_PHE": null, - "sidechain_LYS": null, - "sidechain_VAL": null, - "sidechain_MET": null, - "sidechain_THR": null, - "sidechain_TRP": null, - "next": null, - "sidechain_SER": null, - "bm": 24.0, - "xpr": false, - "prev": 2656, - "terminal_flag": true, - "phi": -69.0265976755833, - "chainID": "B", - "sidechain_GLN": null, - "ome": null, - "chi2": null, - "chi3": null, - "chi1": null, - "chi4": null, - "chi5": null, - "a1": 120.496391213155, - "L4": 1.53065224319222, - "L5": 1.24071748254105, - "L2": 1.45845784669524, - "L3": 1.51126211702218, - "a7": null, - "L1": 1.32408128478322, - "sidechain_ARG": null, - "sidechain_TYR": null, - "sidechain_GLU": null, - "omep": null, - "ss": "-", - "a3": 110.645420897903, - "bs": 22.0, - "a2": 110.656355559659, - "a5": 120.591248665405, - "sidechain_LEU": null, - "chainIndex": 214, - "sidechain_HIS": null, - "h_bond_energy": 0.0, - "a4": 110.680344652394 - } -}, -{ - "pk": 2658, + "pk": 1682, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -224929,11 +153289,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2659, + "next": 1683, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2655, + "prev": 1681, "terminal_flag": false, "phi": -59.5270401094318, "chainID": "A", @@ -224953,7 +153313,7 @@ "L1": 1.33726702989996, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 183, + "sidechain_GLU": 125, "omep": null, "ss": "-", "a3": 109.682185546678, @@ -224968,7 +153328,7 @@ } }, { - "pk": 2659, + "pk": 1683, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -224990,11 +153350,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2660, + "next": 1684, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2658, + "prev": 1682, "terminal_flag": false, "phi": -105.565757910598, "chainID": "A", @@ -225029,12 +153389,12 @@ } }, { - "pk": 2660, + "pk": 1684, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 115, + "sidechain_ASN": 66, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.085648827224, @@ -225051,11 +153411,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2661, + "next": 1685, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2659, + "prev": 1683, "terminal_flag": false, "phi": -92.2801941609929, "chainID": "A", @@ -225090,7 +153450,7 @@ } }, { - "pk": 2661, + "pk": 1685, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -225111,12 +153471,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 45, - "next": 2662, + "sidechain_TRP": 13, + "next": 1686, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 2660, + "prev": 1684, "terminal_flag": false, "phi": -141.316919899874, "chainID": "A", @@ -225151,11 +153511,11 @@ } }, { - "pk": 2662, + "pk": 1686, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 147, + "sidechain_PRO": 91, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -225173,11 +153533,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2663, + "next": 1687, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 2661, + "prev": 1685, "terminal_flag": false, "phi": -65.7521456128346, "chainID": "A", @@ -225212,7 +153572,7 @@ } }, { - "pk": 2663, + "pk": 1687, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -225234,11 +153594,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2664, + "next": 1688, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 2662, + "prev": 1686, "terminal_flag": false, "phi": -147.117459368189, "chainID": "A", @@ -225265,7 +153625,7 @@ "bs": 25.0, "a2": 110.467580039228, "a5": 120.689143034411, - "sidechain_LEU": 209, + "sidechain_LEU": 149, "chainIndex": 955, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -225273,11 +153633,11 @@ } }, { - "pk": 2664, + "pk": 1688, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 148, + "sidechain_PRO": 92, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -225295,11 +153655,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2665, + "next": 1689, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 2663, + "prev": 1687, "terminal_flag": false, "phi": -79.869360007956, "chainID": "A", @@ -225334,7 +153694,7 @@ } }, { - "pk": 2665, + "pk": 1689, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -225352,15 +153712,15 @@ "zeta": 33.2073271924352, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 179, + "sidechain_VAL": 127, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2666, + "next": 1690, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 2664, + "prev": 1688, "terminal_flag": false, "phi": 48.6956884357122, "chainID": "A", @@ -225395,12 +153755,12 @@ } }, { - "pk": 2666, + "pk": 1690, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 116, + "sidechain_ASN": 67, "chain": "1TWFA", "sidechain_ASP": null, "a6": 117.611818764995, @@ -225417,11 +153777,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2667, + "next": 1691, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 2665, + "prev": 1689, "terminal_flag": false, "phi": -61.4766266903624, "chainID": "A", @@ -225456,7 +153816,7 @@ } }, { - "pk": 2667, + "pk": 1691, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -225469,7 +153829,7 @@ "oldID": "960", "bg": 28.93, "sidechain_CYS": null, - "sidechain_ILE": 150, + "sidechain_ILE": 98, "protein": "1TWF", "zeta": 33.8329673816314, "sidechain_PHE": null, @@ -225478,11 +153838,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2668, + "next": 1692, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 2666, + "prev": 1690, "terminal_flag": false, "phi": -60.8003063420816, "chainID": "A", @@ -225517,7 +153877,7 @@ } }, { - "pk": 2668, + "pk": 1692, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -225539,11 +153899,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2669, + "next": 1693, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2667, + "prev": 1691, "terminal_flag": false, "phi": -56.376490098908, "chainID": "A", @@ -225561,7 +153921,7 @@ "L3": 1.52456355274995, "a7": 122.182313314981, "L1": 1.32813462701917, - "sidechain_ARG": 129, + "sidechain_ARG": 88, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -225578,7 +153938,7 @@ } }, { - "pk": 2669, + "pk": 1693, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -225600,11 +153960,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2670, + "next": 1694, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2668, + "prev": 1692, "terminal_flag": false, "phi": -66.42121673737, "chainID": "A", @@ -225622,7 +153982,7 @@ "L3": 1.53277531189658, "a7": 122.048333258675, "L1": 1.32674339002268, - "sidechain_ARG": 130, + "sidechain_ARG": 89, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -225639,7 +153999,7 @@ } }, { - "pk": 2670, + "pk": 1694, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -225652,7 +154012,7 @@ "oldID": "963", "bg": 33.84, "sidechain_CYS": null, - "sidechain_ILE": 151, + "sidechain_ILE": 99, "protein": "1TWF", "zeta": 34.5941197166425, "sidechain_PHE": null, @@ -225661,11 +154021,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2671, + "next": 1695, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2669, + "prev": 1693, "terminal_flag": false, "phi": -47.2368490835352, "chainID": "A", @@ -225700,7 +154060,7 @@ } }, { - "pk": 2671, + "pk": 1695, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -225713,7 +154073,7 @@ "oldID": "964", "bg": 37.1, "sidechain_CYS": null, - "sidechain_ILE": 152, + "sidechain_ILE": 100, "protein": "1TWF", "zeta": 33.8090483364912, "sidechain_PHE": null, @@ -225722,11 +154082,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2672, + "next": 1696, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 2670, + "prev": 1694, "terminal_flag": false, "phi": -68.9860378376314, "chainID": "A", @@ -225761,7 +154121,7 @@ } }, { - "pk": 2672, + "pk": 1696, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -225783,15 +154143,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2673, + "next": 1697, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2671, + "prev": 1695, "terminal_flag": false, "phi": -52.8471170576111, "chainID": "A", - "sidechain_GLN": 99, + "sidechain_GLN": 72, "ome": 179.325864804801, "chi2": 175.154686268555, "chi3": -42.668817966275, @@ -225822,12 +154182,12 @@ } }, { - "pk": 2673, + "pk": 1697, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 117, + "sidechain_ASN": 68, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.608059820595, @@ -225844,11 +154204,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2674, + "next": 1698, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2672, + "prev": 1696, "terminal_flag": false, "phi": -61.6045214422565, "chainID": "A", @@ -225883,7 +154243,7 @@ } }, { - "pk": 2674, + "pk": 1698, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -225905,11 +154265,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2675, + "next": 1699, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2673, + "prev": 1697, "terminal_flag": false, "phi": -45.0917533737771, "chainID": "A", @@ -225944,7 +154304,7 @@ } }, { - "pk": 2675, + "pk": 1699, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -225966,15 +154326,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2676, + "next": 1700, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 2674, + "prev": 1698, "terminal_flag": false, "phi": -56.6457902928965, "chainID": "A", - "sidechain_GLN": 100, + "sidechain_GLN": 73, "ome": 179.404324627169, "chi2": 160.844495967033, "chi3": -61.9088620767983, @@ -226005,7 +154365,7 @@ } }, { - "pk": 2676, + "pk": 1700, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -226027,15 +154387,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2677, + "next": 1701, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 2675, + "prev": 1699, "terminal_flag": false, "phi": -68.9972282741121, "chainID": "A", - "sidechain_GLN": 101, + "sidechain_GLN": 74, "ome": -179.127639212503, "chi2": 69.1839363663193, "chi3": 51.3396733487238, @@ -226066,7 +154426,7 @@ } }, { - "pk": 2677, + "pk": 1701, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -226086,13 +154446,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 147, + "sidechain_THR": 86, "sidechain_TRP": null, - "next": 2678, + "next": 1702, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 2676, + "prev": 1700, "terminal_flag": false, "phi": -60.4952346851306, "chainID": "A", @@ -226127,7 +154487,7 @@ } }, { - "pk": 2678, + "pk": 1702, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -226143,17 +154503,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.1285457458143, - "sidechain_PHE": 103, + "sidechain_PHE": 70, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2679, + "next": 1703, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 2677, + "prev": 1701, "terminal_flag": false, "phi": -107.366943645556, "chainID": "A", @@ -226188,7 +154548,7 @@ } }, { - "pk": 2679, + "pk": 1703, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -226210,11 +154570,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2680, + "next": 1704, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 2678, + "prev": 1702, "terminal_flag": false, "phi": 40.6231267135779, "chainID": "A", @@ -226243,13 +154603,13 @@ "a5": 120.704658894364, "sidechain_LEU": null, "chainIndex": 971, - "sidechain_HIS": 79, + "sidechain_HIS": 57, "h_bond_energy": 0.0, "a4": 109.164278309895 } }, { - "pk": 2680, + "pk": 1704, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -226262,7 +154622,7 @@ "oldID": "973", "bg": 89.86, "sidechain_CYS": null, - "sidechain_ILE": 153, + "sidechain_ILE": 101, "protein": "1TWF", "zeta": 34.583251170271, "sidechain_PHE": null, @@ -226271,11 +154631,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2681, + "next": 1705, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 2679, + "prev": 1703, "terminal_flag": false, "phi": -67.1667888178184, "chainID": "A", @@ -226310,14 +154670,14 @@ } }, { - "pk": 2681, + "pk": 1705, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 166, + "sidechain_ASP": 113, "a6": 115.505193088153, "psi": 119.033508240722, "oldID": "974", @@ -226332,11 +154692,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2682, + "next": 1706, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 2680, + "prev": 1704, "terminal_flag": false, "phi": -106.111235200281, "chainID": "A", @@ -226371,7 +154731,7 @@ } }, { - "pk": 2682, + "pk": 1706, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -226393,11 +154753,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2683, + "next": 1707, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 2681, + "prev": 1705, "terminal_flag": false, "phi": -64.9488884602678, "chainID": "A", @@ -226426,13 +154786,13 @@ "a5": 120.152058758658, "sidechain_LEU": null, "chainIndex": 974, - "sidechain_HIS": 80, + "sidechain_HIS": 58, "h_bond_energy": 0.0, "a4": 109.678564664852 } }, { - "pk": 2683, + "pk": 1707, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -226452,13 +154812,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 148, + "sidechain_THR": 87, "sidechain_TRP": null, - "next": 2684, + "next": 1708, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 2682, + "prev": 1706, "terminal_flag": false, "phi": -98.9086814251072, "chainID": "A", @@ -226493,7 +154853,7 @@ } }, { - "pk": 2684, + "pk": 1708, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -226510,16 +154870,16 @@ "protein": "1TWF", "zeta": 33.8824363685832, "sidechain_PHE": null, - "sidechain_LYS": 182, + "sidechain_LYS": 103, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2685, + "next": 1709, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 2683, + "prev": 1707, "terminal_flag": false, "phi": -140.913166665412, "chainID": "A", @@ -226554,11 +154914,11 @@ } }, { - "pk": 2685, + "pk": 1709, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 149, + "sidechain_PRO": 93, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -226576,11 +154936,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2686, + "next": 1710, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 2684, + "prev": 1708, "terminal_flag": false, "phi": -72.1112346576457, "chainID": "A", @@ -226615,7 +154975,7 @@ } }, { - "pk": 2686, + "pk": 1710, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -226637,11 +154997,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2687, - "sidechain_SER": 129, + "next": 1711, + "sidechain_SER": 83, "bm": 59.0, "xpr": false, - "prev": 2685, + "prev": 1709, "terminal_flag": false, "phi": -62.9286460297305, "chainID": "A", @@ -226676,14 +155036,14 @@ } }, { - "pk": 2687, + "pk": 1711, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 167, + "sidechain_ASP": 114, "a6": 116.241385172666, "psi": 21.3982124413487, "oldID": "980", @@ -226698,11 +155058,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2688, + "next": 1712, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2686, + "prev": 1710, "terminal_flag": false, "phi": -110.832492006001, "chainID": "A", @@ -226737,7 +155097,7 @@ } }, { - "pk": 2688, + "pk": 1712, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -226759,11 +155119,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2689, + "next": 1713, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2687, + "prev": 1711, "terminal_flag": false, "phi": -85.7314036748306, "chainID": "A", @@ -226790,7 +155150,7 @@ "bs": 45.0, "a2": 110.408472548604, "a5": 121.08574816827, - "sidechain_LEU": 210, + "sidechain_LEU": 150, "chainIndex": 980, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -226798,7 +155158,7 @@ } }, { - "pk": 2689, + "pk": 1713, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -226818,13 +155178,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 149, + "sidechain_THR": 88, "sidechain_TRP": null, - "next": 2690, + "next": 1714, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 2688, + "prev": 1712, "terminal_flag": false, "phi": -86.6523872520634, "chainID": "A", @@ -226859,7 +155219,7 @@ } }, { - "pk": 2690, + "pk": 1714, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -226872,7 +155232,7 @@ "oldID": "983", "bg": 41.63, "sidechain_CYS": null, - "sidechain_ILE": 154, + "sidechain_ILE": 102, "protein": "1TWF", "zeta": 34.8146180726091, "sidechain_PHE": null, @@ -226881,11 +155241,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2691, + "next": 1715, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2689, + "prev": 1713, "terminal_flag": false, "phi": -64.011070017604, "chainID": "A", @@ -226920,7 +155280,7 @@ } }, { - "pk": 2691, + "pk": 1715, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -226937,16 +155297,16 @@ "protein": "1TWF", "zeta": 34.6136542939818, "sidechain_PHE": null, - "sidechain_LYS": 183, + "sidechain_LYS": 104, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2692, + "next": 1716, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 2690, + "prev": 1714, "terminal_flag": false, "phi": -61.4133337379891, "chainID": "A", @@ -226981,14 +155341,14 @@ } }, { - "pk": 2692, + "pk": 1716, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 168, + "sidechain_ASP": 115, "a6": 115.185277875486, "psi": -60.7182532122868, "oldID": "985", @@ -227003,11 +155363,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2693, + "next": 1717, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2691, + "prev": 1715, "terminal_flag": false, "phi": -55.9841542474874, "chainID": "A", @@ -227042,7 +155402,7 @@ } }, { - "pk": 2693, + "pk": 1717, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -227055,7 +155415,7 @@ "oldID": "986", "bg": 30.39, "sidechain_CYS": null, - "sidechain_ILE": 155, + "sidechain_ILE": 103, "protein": "1TWF", "zeta": 35.4173244863411, "sidechain_PHE": null, @@ -227064,11 +155424,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2694, + "next": 1718, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 2692, + "prev": 1716, "terminal_flag": false, "phi": -59.7838116497859, "chainID": "A", @@ -227103,7 +155463,7 @@ } }, { - "pk": 2694, + "pk": 1718, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -227121,15 +155481,15 @@ "zeta": 33.0950135001156, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 180, + "sidechain_VAL": 128, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2695, + "next": 1719, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2693, + "prev": 1717, "terminal_flag": false, "phi": -53.4184019522631, "chainID": "A", @@ -227164,7 +155524,7 @@ } }, { - "pk": 2695, + "pk": 1719, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -227186,11 +155546,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2696, + "next": 1720, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2694, + "prev": 1718, "terminal_flag": false, "phi": -61.5920426497077, "chainID": "A", @@ -227217,7 +155577,7 @@ "bs": 39.0, "a2": 110.727668431738, "a5": 120.237734504039, - "sidechain_LEU": 211, + "sidechain_LEU": 151, "chainIndex": 987, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -227225,7 +155585,7 @@ } }, { - "pk": 2696, + "pk": 1720, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -227247,11 +155607,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2697, + "next": 1721, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2695, + "prev": 1719, "terminal_flag": false, "phi": -61.6464996854491, "chainID": "A", @@ -227286,7 +155646,7 @@ } }, { - "pk": 2697, + "pk": 1721, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -227304,15 +155664,15 @@ "zeta": 34.6348434564992, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 181, + "sidechain_VAL": 129, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2698, + "next": 1722, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2696, + "prev": 1720, "terminal_flag": false, "phi": -60.9976100440402, "chainID": "A", @@ -227347,7 +155707,7 @@ } }, { - "pk": 2698, + "pk": 1722, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -227364,16 +155724,16 @@ "protein": "1TWF", "zeta": 35.9051683742362, "sidechain_PHE": null, - "sidechain_LYS": 184, + "sidechain_LYS": 105, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2699, + "next": 1723, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2697, + "prev": 1721, "terminal_flag": false, "phi": -67.5583456320691, "chainID": "A", @@ -227408,14 +155768,14 @@ } }, { - "pk": 2699, + "pk": 1723, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 169, + "sidechain_ASP": 116, "a6": 115.91237965423, "psi": -37.4734109287474, "oldID": "992", @@ -227430,11 +155790,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2700, + "next": 1724, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 2698, + "prev": 1722, "terminal_flag": false, "phi": -65.8998744887109, "chainID": "A", @@ -227469,7 +155829,7 @@ } }, { - "pk": 2700, + "pk": 1724, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -227491,11 +155851,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2701, + "next": 1725, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2699, + "prev": 1723, "terminal_flag": false, "phi": -61.9442673363072, "chainID": "A", @@ -227522,7 +155882,7 @@ "bs": 36.0, "a2": 109.5474127632, "a5": 120.580658017333, - "sidechain_LEU": 212, + "sidechain_LEU": 152, "chainIndex": 992, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -227530,7 +155890,7 @@ } }, { - "pk": 2701, + "pk": 1725, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -227552,15 +155912,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2702, + "next": 1726, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2700, + "prev": 1724, "terminal_flag": false, "phi": -62.6116456496965, "chainID": "A", - "sidechain_GLN": 102, + "sidechain_GLN": 75, "ome": -179.352621316516, "chi2": 160.814561805168, "chi3": -81.5200652094783, @@ -227591,7 +155951,7 @@ } }, { - "pk": 2702, + "pk": 1726, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -227613,11 +155973,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2703, + "next": 1727, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2701, + "prev": 1725, "terminal_flag": false, "phi": -83.5083905309668, "chainID": "A", @@ -227637,7 +155997,7 @@ "L1": 1.32686495268589, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 184, + "sidechain_GLU": 126, "omep": null, "ss": "T", "a3": 112.464500092358, @@ -227652,12 +156012,12 @@ } }, { - "pk": 2703, + "pk": 1727, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 118, + "sidechain_ASN": 69, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.965975894521, @@ -227674,11 +156034,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2704, + "next": 1728, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2702, + "prev": 1726, "terminal_flag": false, "phi": -110.561860392427, "chainID": "A", @@ -227713,7 +156073,7 @@ } }, { - "pk": 2704, + "pk": 1728, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -227735,11 +156095,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2705, + "next": 1729, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 2703, + "prev": 1727, "terminal_flag": false, "phi": -71.7037021262386, "chainID": "A", @@ -227766,7 +156126,7 @@ "bs": 23.0, "a2": 108.956848185708, "a5": 120.38441463445, - "sidechain_LEU": 213, + "sidechain_LEU": 153, "chainIndex": 996, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -227774,7 +156134,7 @@ } }, { - "pk": 2705, + "pk": 1729, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -227796,11 +156156,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2706, + "next": 1730, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 2704, + "prev": 1728, "terminal_flag": false, "phi": -89.077671354687, "chainID": "A", @@ -227827,7 +156187,7 @@ "bs": 31.0, "a2": 108.715530543852, "a5": 121.901590086394, - "sidechain_LEU": 214, + "sidechain_LEU": 154, "chainIndex": 997, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -227835,7 +156195,7 @@ } }, { - "pk": 2706, + "pk": 1730, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -227853,15 +156213,15 @@ "zeta": 35.2978893599246, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 182, + "sidechain_VAL": 130, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2707, + "next": 1731, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 2705, + "prev": 1729, "terminal_flag": false, "phi": -115.062668235356, "chainID": "A", @@ -227896,7 +156256,7 @@ } }, { - "pk": 2707, + "pk": 1731, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -227918,11 +156278,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2708, + "next": 1732, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 2706, + "prev": 1730, "terminal_flag": false, "phi": -122.384605826241, "chainID": "A", @@ -227949,7 +156309,7 @@ "bs": 35.0, "a2": 109.07297352814, "a5": 120.222159893027, - "sidechain_LEU": 215, + "sidechain_LEU": 155, "chainIndex": 999, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -227957,7 +156317,7 @@ } }, { - "pk": 2708, + "pk": 1732, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -227979,11 +156339,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2709, + "next": 1733, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2707, + "prev": 1731, "terminal_flag": false, "phi": -112.414464829991, "chainID": "A", @@ -228001,7 +156361,7 @@ "L3": 1.52257157081234, "a7": 122.222866109636, "L1": 1.32777944765137, - "sidechain_ARG": 131, + "sidechain_ARG": 90, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -228018,7 +156378,7 @@ } }, { - "pk": 2709, + "pk": 1733, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -228040,11 +156400,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2710, + "next": 1734, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 2708, + "prev": 1732, "terminal_flag": false, "phi": -46.2166104217767, "chainID": "A", @@ -228079,7 +156439,7 @@ } }, { - "pk": 2710, + "pk": 1734, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -228096,16 +156456,16 @@ "protein": "1TWF", "zeta": 34.0874942272109, "sidechain_PHE": null, - "sidechain_LYS": 185, + "sidechain_LYS": 106, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2711, + "next": 1735, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 2709, + "prev": 1733, "terminal_flag": false, "phi": -82.5132872202084, "chainID": "A", @@ -228140,12 +156500,12 @@ } }, { - "pk": 2711, + "pk": 1735, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 119, + "sidechain_ASN": 70, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.443764047091, @@ -228162,11 +156522,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2712, + "next": 1736, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 2710, + "prev": 1734, "terminal_flag": false, "phi": -82.0736725348109, "chainID": "A", @@ -228201,7 +156561,7 @@ } }, { - "pk": 2712, + "pk": 1736, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -228223,11 +156583,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2713, + "next": 1737, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 2711, + "prev": 1735, "terminal_flag": false, "phi": -59.2170290339151, "chainID": "A", @@ -228247,7 +156607,7 @@ "L1": 1.32820248163606, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 185, + "sidechain_GLU": 127, "omep": null, "ss": "H", "a3": 115.12768754491, @@ -228262,7 +156622,7 @@ } }, { - "pk": 2713, + "pk": 1737, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -228275,7 +156635,7 @@ "oldID": "1006", "bg": 50.04, "sidechain_CYS": null, - "sidechain_ILE": 156, + "sidechain_ILE": 104, "protein": "1TWF", "zeta": 34.2228774827125, "sidechain_PHE": null, @@ -228284,11 +156644,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2714, + "next": 1738, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2712, + "prev": 1736, "terminal_flag": false, "phi": -52.2993297266383, "chainID": "A", @@ -228323,7 +156683,7 @@ } }, { - "pk": 2714, + "pk": 1738, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -228336,7 +156696,7 @@ "oldID": "1007", "bg": 39.22, "sidechain_CYS": null, - "sidechain_ILE": 157, + "sidechain_ILE": 105, "protein": "1TWF", "zeta": 34.6192402697172, "sidechain_PHE": null, @@ -228345,11 +156705,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2715, + "next": 1739, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2713, + "prev": 1737, "terminal_flag": false, "phi": -58.4064691517273, "chainID": "A", @@ -228384,7 +156744,7 @@ } }, { - "pk": 2715, + "pk": 1739, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -228406,15 +156766,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2716, + "next": 1740, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2714, + "prev": 1738, "terminal_flag": false, "phi": -57.7253309600988, "chainID": "A", - "sidechain_GLN": 103, + "sidechain_GLN": 76, "ome": 178.839231236195, "chi2": -58.9416465878084, "chi3": -55.4645879098904, @@ -228445,12 +156805,12 @@ } }, { - "pk": 2716, + "pk": 1740, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 120, + "sidechain_ASN": 71, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.258320179625, @@ -228467,11 +156827,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2717, + "next": 1741, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 2715, + "prev": 1739, "terminal_flag": false, "phi": -82.1818982165811, "chainID": "A", @@ -228506,7 +156866,7 @@ } }, { - "pk": 2717, + "pk": 1741, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -228528,11 +156888,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2718, + "next": 1742, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 2716, + "prev": 1740, "terminal_flag": false, "phi": -64.8129816142354, "chainID": "A", @@ -228567,7 +156927,7 @@ } }, { - "pk": 2718, + "pk": 1742, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -228589,15 +156949,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2719, + "next": 1743, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 2717, + "prev": 1741, "terminal_flag": false, "phi": -69.1482019642362, "chainID": "A", - "sidechain_GLN": 104, + "sidechain_GLN": 77, "ome": 178.4143726552, "chi2": 63.106668062368, "chi3": 44.1767019210378, @@ -228628,7 +156988,7 @@ } }, { - "pk": 2719, + "pk": 1743, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -228650,11 +157010,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2720, + "next": 1744, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2718, + "prev": 1742, "terminal_flag": false, "phi": -77.7809374504812, "chainID": "A", @@ -228672,7 +157032,7 @@ "L3": 1.5293928487311, "a7": 122.482185629103, "L1": 1.3289637024636, - "sidechain_ARG": 132, + "sidechain_ARG": 91, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -228689,14 +157049,14 @@ } }, { - "pk": 2720, + "pk": 1744, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 170, + "sidechain_ASP": 117, "a6": 114.892678087749, "psi": -39.6915814782997, "oldID": "1013", @@ -228711,11 +157071,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2721, + "next": 1745, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 2719, + "prev": 1743, "terminal_flag": false, "phi": -71.2780256045714, "chainID": "A", @@ -228750,7 +157110,7 @@ } }, { - "pk": 2721, + "pk": 1745, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -228772,11 +157132,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2722, + "next": 1746, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 2720, + "prev": 1744, "terminal_flag": false, "phi": -70.830817230253, "chainID": "A", @@ -228811,7 +157171,7 @@ } }, { - "pk": 2722, + "pk": 1746, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -228829,15 +157189,15 @@ "zeta": 35.3661102358566, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 183, + "sidechain_VAL": 131, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2723, + "next": 1747, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 2721, + "prev": 1745, "terminal_flag": false, "phi": -131.450169533509, "chainID": "A", @@ -228872,7 +157232,7 @@ } }, { - "pk": 2723, + "pk": 1747, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -228892,13 +157252,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 150, + "sidechain_THR": 89, "sidechain_TRP": null, - "next": 2724, + "next": 1748, "sidechain_SER": null, "bm": 20.0, "xpr": false, - "prev": 2722, + "prev": 1746, "terminal_flag": false, "phi": -65.3322068750838, "chainID": "A", @@ -228933,7 +157293,7 @@ } }, { - "pk": 2724, + "pk": 1748, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -228955,11 +157315,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2725, + "next": 1749, "sidechain_SER": null, "bm": 17.0, "xpr": false, - "prev": 2723, + "prev": 1747, "terminal_flag": false, "phi": -62.9481138044188, "chainID": "A", @@ -228986,7 +157346,7 @@ "bs": 19.0, "a2": 110.972383144936, "a5": 118.719487783481, - "sidechain_LEU": 216, + "sidechain_LEU": 156, "chainIndex": 1016, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -228994,7 +157354,7 @@ } }, { - "pk": 2725, + "pk": 1749, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -229010,17 +157370,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7524533756868, - "sidechain_PHE": 104, + "sidechain_PHE": 71, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2726, + "next": 1750, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 2724, + "prev": 1748, "terminal_flag": false, "phi": -55.7353647398156, "chainID": "A", @@ -229055,7 +157415,7 @@ } }, { - "pk": 2726, + "pk": 1750, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -229067,7 +157427,7 @@ "psi": -35.6412906381627, "oldID": "1019", "bg": 29.27, - "sidechain_CYS": 53, + "sidechain_CYS": 35, "sidechain_ILE": null, "protein": "1TWF", "zeta": 32.8332621588703, @@ -229077,11 +157437,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2727, + "next": 1751, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 2725, + "prev": 1749, "terminal_flag": false, "phi": -56.7493097991067, "chainID": "A", @@ -229116,7 +157476,7 @@ } }, { - "pk": 2727, + "pk": 1751, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -229128,7 +157488,7 @@ "psi": -30.4692291802526, "oldID": "1020", "bg": 25.35, - "sidechain_CYS": 54, + "sidechain_CYS": 36, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.1114298087417, @@ -229138,11 +157498,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2728, + "next": 1752, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 2726, + "prev": 1750, "terminal_flag": false, "phi": -68.1822223805791, "chainID": "A", @@ -229177,7 +157537,7 @@ } }, { - "pk": 2728, + "pk": 1752, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -229199,11 +157559,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2729, + "next": 1753, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 2727, + "prev": 1751, "terminal_flag": false, "phi": -70.5408113389476, "chainID": "A", @@ -229230,7 +157590,7 @@ "bs": 18.0, "a2": 111.131459890702, "a5": 120.849052816831, - "sidechain_LEU": 217, + "sidechain_LEU": 157, "chainIndex": 1020, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -229238,7 +157598,7 @@ } }, { - "pk": 2729, + "pk": 1753, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -229260,11 +157620,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2730, + "next": 1754, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 2728, + "prev": 1752, "terminal_flag": false, "phi": -49.1328367307213, "chainID": "A", @@ -229291,7 +157651,7 @@ "bs": 32.0, "a2": 109.84226405967, "a5": 120.598522476092, - "sidechain_LEU": 218, + "sidechain_LEU": 158, "chainIndex": 1021, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -229299,7 +157659,7 @@ } }, { - "pk": 2730, + "pk": 1754, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -229321,11 +157681,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2731, + "next": 1755, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 2729, + "prev": 1753, "terminal_flag": false, "phi": -52.203526225183, "chainID": "A", @@ -229343,7 +157703,7 @@ "L3": 1.53064647469663, "a7": 121.821338073992, "L1": 1.32808469968022, - "sidechain_ARG": 133, + "sidechain_ARG": 92, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -229360,7 +157720,7 @@ } }, { - "pk": 2731, + "pk": 1755, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -229382,11 +157742,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2732, - "sidechain_SER": 130, + "next": 1756, + "sidechain_SER": 84, "bm": 27.0, "xpr": false, - "prev": 2730, + "prev": 1754, "terminal_flag": false, "phi": -73.0061024886299, "chainID": "A", @@ -229421,7 +157781,7 @@ } }, { - "pk": 2732, + "pk": 1756, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -229443,11 +157803,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2733, + "next": 1757, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 2731, + "prev": 1755, "terminal_flag": false, "phi": -91.2128538316439, "chainID": "A", @@ -229465,7 +157825,7 @@ "L3": 1.53457124234507, "a7": 122.138433399163, "L1": 1.32858047539919, - "sidechain_ARG": 134, + "sidechain_ARG": 93, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -229482,7 +157842,7 @@ } }, { - "pk": 2733, + "pk": 1757, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -229504,11 +157864,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2734, + "next": 1758, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 2732, + "prev": 1756, "terminal_flag": false, "phi": -117.709907236011, "chainID": "A", @@ -229535,7 +157895,7 @@ "bs": 28.0, "a2": 109.642869338312, "a5": 121.865811604388, - "sidechain_LEU": 219, + "sidechain_LEU": 159, "chainIndex": 1025, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -229543,7 +157903,7 @@ } }, { - "pk": 2734, + "pk": 1758, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -229565,11 +157925,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2735, + "next": 1759, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 2733, + "prev": 1757, "terminal_flag": false, "phi": -66.5568709846901, "chainID": "A", @@ -229604,7 +157964,7 @@ } }, { - "pk": 2735, + "pk": 1759, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -229624,13 +157984,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 151, + "sidechain_THR": 90, "sidechain_TRP": null, - "next": 2736, + "next": 1760, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 2734, + "prev": 1758, "terminal_flag": false, "phi": -37.8841867109826, "chainID": "A", @@ -229665,7 +158025,7 @@ } }, { - "pk": 2736, + "pk": 1760, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -229687,11 +158047,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2737, + "next": 1761, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2735, + "prev": 1759, "terminal_flag": false, "phi": -57.0729782048923, "chainID": "A", @@ -229709,7 +158069,7 @@ "L3": 1.52881082954124, "a7": 122.925344900887, "L1": 1.33604456859146, - "sidechain_ARG": 135, + "sidechain_ARG": 94, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -229726,7 +158086,7 @@ } }, { - "pk": 2737, + "pk": 1761, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -229748,11 +158108,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2738, + "next": 1762, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2736, + "prev": 1760, "terminal_flag": false, "phi": -61.2583515599037, "chainID": "A", @@ -229770,7 +158130,7 @@ "L3": 1.52510148320613, "a7": 123.370201835558, "L1": 1.33015334004016, - "sidechain_ARG": 136, + "sidechain_ARG": 95, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -229787,7 +158147,7 @@ } }, { - "pk": 2738, + "pk": 1762, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -229805,15 +158165,15 @@ "zeta": 35.4029012380956, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 184, + "sidechain_VAL": 132, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2739, + "next": 1763, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2737, + "prev": 1761, "terminal_flag": false, "phi": -68.5432152995905, "chainID": "A", @@ -229848,7 +158208,7 @@ } }, { - "pk": 2739, + "pk": 1763, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -229870,11 +158230,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2740, + "next": 1764, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2738, + "prev": 1762, "terminal_flag": false, "phi": -92.8065653971249, "chainID": "A", @@ -229901,7 +158261,7 @@ "bs": 48.0, "a2": 109.706102248968, "a5": 121.040237918574, - "sidechain_LEU": 220, + "sidechain_LEU": 160, "chainIndex": 1031, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -229909,7 +158269,7 @@ } }, { - "pk": 2740, + "pk": 1764, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -229931,15 +158291,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2741, + "next": 1765, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2739, + "prev": 1763, "terminal_flag": false, "phi": -88.2932423493142, "chainID": "A", - "sidechain_GLN": 105, + "sidechain_GLN": 78, "ome": -178.561482714524, "chi2": 137.959433028656, "chi3": 68.0744635573524, @@ -229970,7 +158330,7 @@ } }, { - "pk": 2741, + "pk": 1765, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -229992,11 +158352,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2742, + "next": 1766, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2740, + "prev": 1764, "terminal_flag": false, "phi": -93.7696998806631, "chainID": "A", @@ -230016,7 +158376,7 @@ "L1": 1.31906047756086, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 186, + "sidechain_GLU": 128, "omep": null, "ss": "I", "a3": 114.612990768991, @@ -230031,7 +158391,7 @@ } }, { - "pk": 2742, + "pk": 1766, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -230053,11 +158413,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2743, + "next": 1767, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 2741, + "prev": 1765, "terminal_flag": false, "phi": -75.5353984422796, "chainID": "A", @@ -230076,7 +158436,7 @@ "a7": 122.605078776671, "L1": 1.32787075471093, "sidechain_ARG": null, - "sidechain_TYR": 83, + "sidechain_TYR": 40, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -230092,7 +158452,7 @@ } }, { - "pk": 2743, + "pk": 1767, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -230114,11 +158474,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2744, + "next": 1768, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2742, + "prev": 1766, "terminal_flag": false, "phi": 59.5764039718735, "chainID": "A", @@ -230136,7 +158496,7 @@ "L3": 1.53799500200834, "a7": 122.313252157103, "L1": 1.32956110708364, - "sidechain_ARG": 137, + "sidechain_ARG": 96, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -230153,7 +158513,7 @@ } }, { - "pk": 2744, + "pk": 1768, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -230175,11 +158535,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2745, + "next": 1769, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 2743, + "prev": 1767, "terminal_flag": false, "phi": -69.0046292920038, "chainID": "A", @@ -230206,7 +158566,7 @@ "bs": 47.0, "a2": 110.428940766571, "a5": 120.651618565523, - "sidechain_LEU": 221, + "sidechain_LEU": 161, "chainIndex": 1036, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -230214,7 +158574,7 @@ } }, { - "pk": 2745, + "pk": 1769, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -230234,13 +158594,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 152, + "sidechain_THR": 91, "sidechain_TRP": null, - "next": 2746, + "next": 1770, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2744, + "prev": 1768, "terminal_flag": false, "phi": -100.404481779375, "chainID": "A", @@ -230275,7 +158635,7 @@ } }, { - "pk": 2746, + "pk": 1770, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -230292,16 +158652,16 @@ "protein": "1TWF", "zeta": 34.9299808334192, "sidechain_PHE": null, - "sidechain_LYS": 186, + "sidechain_LYS": 107, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2747, + "next": 1771, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2745, + "prev": 1769, "terminal_flag": false, "phi": -57.8670525929453, "chainID": "A", @@ -230336,7 +158696,7 @@ } }, { - "pk": 2747, + "pk": 1771, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -230358,15 +158718,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2748, + "next": 1772, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2746, + "prev": 1770, "terminal_flag": false, "phi": -70.2451434106364, "chainID": "A", - "sidechain_GLN": 106, + "sidechain_GLN": 79, "ome": -179.889863401452, "chi2": 177.855901734879, "chi3": 58.0051927366766, @@ -230397,7 +158757,7 @@ } }, { - "pk": 2748, + "pk": 1772, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -230419,11 +158779,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2749, + "next": 1773, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 2747, + "prev": 1771, "terminal_flag": false, "phi": -54.0605380093096, "chainID": "A", @@ -230458,7 +158818,7 @@ } }, { - "pk": 2749, + "pk": 1773, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -230474,17 +158834,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.2993073819394, - "sidechain_PHE": 105, + "sidechain_PHE": 72, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2750, + "next": 1774, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2748, + "prev": 1772, "terminal_flag": false, "phi": -54.5784978163129, "chainID": "A", @@ -230519,14 +158879,14 @@ } }, { - "pk": 2750, + "pk": 1774, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 171, + "sidechain_ASP": 118, "a6": 115.819766028846, "psi": -37.7485319096556, "oldID": "1043", @@ -230541,11 +158901,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2751, + "next": 1775, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2749, + "prev": 1773, "terminal_flag": false, "phi": -53.9243567422203, "chainID": "A", @@ -230580,7 +158940,7 @@ } }, { - "pk": 2751, + "pk": 1775, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -230601,12 +158961,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 46, - "next": 2752, + "sidechain_TRP": 14, + "next": 1776, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2750, + "prev": 1774, "terminal_flag": false, "phi": -65.9088194756166, "chainID": "A", @@ -230641,7 +159001,7 @@ } }, { - "pk": 2752, + "pk": 1776, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -230659,15 +159019,15 @@ "zeta": 34.1587184518989, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 185, + "sidechain_VAL": 133, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2753, + "next": 1777, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 2751, + "prev": 1775, "terminal_flag": false, "phi": -55.8244316673407, "chainID": "A", @@ -230702,7 +159062,7 @@ } }, { - "pk": 2753, + "pk": 1777, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -230724,11 +159084,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2754, + "next": 1778, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2752, + "prev": 1776, "terminal_flag": false, "phi": -61.2579617809918, "chainID": "A", @@ -230755,7 +159115,7 @@ "bs": 43.0, "a2": 111.621814164481, "a5": 120.644259018067, - "sidechain_LEU": 222, + "sidechain_LEU": 162, "chainIndex": 1045, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -230763,7 +159123,7 @@ } }, { - "pk": 2754, + "pk": 1778, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -230785,11 +159145,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2755, - "sidechain_SER": 131, + "next": 1779, + "sidechain_SER": 85, "bm": 37.0, "xpr": false, - "prev": 2753, + "prev": 1777, "terminal_flag": false, "phi": -64.9522079157987, "chainID": "A", @@ -230824,12 +159184,12 @@ } }, { - "pk": 2755, + "pk": 1779, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 121, + "sidechain_ASN": 72, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.483601728018, @@ -230846,11 +159206,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2756, + "next": 1780, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2754, + "prev": 1778, "terminal_flag": false, "phi": -70.5941244902429, "chainID": "A", @@ -230885,7 +159245,7 @@ } }, { - "pk": 2756, + "pk": 1780, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -230898,7 +159258,7 @@ "oldID": "1049", "bg": 26.37, "sidechain_CYS": null, - "sidechain_ILE": 158, + "sidechain_ILE": 106, "protein": "1TWF", "zeta": 34.8199761782259, "sidechain_PHE": null, @@ -230907,11 +159267,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2757, + "next": 1781, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 2755, + "prev": 1779, "terminal_flag": false, "phi": -57.0540762864711, "chainID": "A", @@ -230946,7 +159306,7 @@ } }, { - "pk": 2757, + "pk": 1781, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -230968,11 +159328,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2758, + "next": 1782, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 2756, + "prev": 1780, "terminal_flag": false, "phi": -64.2743428972998, "chainID": "A", @@ -230992,7 +159352,7 @@ "L1": 1.32549565804839, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 187, + "sidechain_GLU": 129, "omep": null, "ss": "H", "a3": 110.054392151628, @@ -231007,7 +159367,7 @@ } }, { - "pk": 2758, + "pk": 1782, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -231029,11 +159389,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2759, + "next": 1783, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 2757, + "prev": 1781, "terminal_flag": false, "phi": -56.7905833888451, "chainID": "A", @@ -231068,7 +159428,7 @@ } }, { - "pk": 2759, + "pk": 1783, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -231090,15 +159450,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2760, + "next": 1784, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 2758, + "prev": 1782, "terminal_flag": false, "phi": -75.3996126281681, "chainID": "A", - "sidechain_GLN": 107, + "sidechain_GLN": 80, "ome": 179.107062878982, "chi2": -135.064770017848, "chi3": 39.4283325201932, @@ -231129,7 +159489,7 @@ } }, { - "pk": 2760, + "pk": 1784, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -231145,17 +159505,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.123958104455, - "sidechain_PHE": 106, + "sidechain_PHE": 73, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2761, + "next": 1785, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 2759, + "prev": 1783, "terminal_flag": false, "phi": -55.7532421594264, "chainID": "A", @@ -231190,7 +159550,7 @@ } }, { - "pk": 2761, + "pk": 1785, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -231212,11 +159572,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2762, + "next": 1786, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 2760, + "prev": 1784, "terminal_flag": false, "phi": -53.2440527160129, "chainID": "A", @@ -231243,7 +159603,7 @@ "bs": 30.0, "a2": 109.715794685823, "a5": 120.77228975194, - "sidechain_LEU": 223, + "sidechain_LEU": 163, "chainIndex": 1053, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -231251,7 +159611,7 @@ } }, { - "pk": 2762, + "pk": 1786, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -231273,11 +159633,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2763, + "next": 1787, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 2761, + "prev": 1785, "terminal_flag": false, "phi": -71.8086589774257, "chainID": "A", @@ -231295,7 +159655,7 @@ "L3": 1.54540842347703, "a7": 122.449430657828, "L1": 1.33170965546509, - "sidechain_ARG": 138, + "sidechain_ARG": 97, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -231312,7 +159672,7 @@ } }, { - "pk": 2763, + "pk": 1787, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -231334,11 +159694,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2764, - "sidechain_SER": 132, + "next": 1788, + "sidechain_SER": 86, "bm": 24.0, "xpr": false, - "prev": 2762, + "prev": 1786, "terminal_flag": false, "phi": -90.1975402118419, "chainID": "A", @@ -231373,7 +159733,7 @@ } }, { - "pk": 2764, + "pk": 1788, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -231391,15 +159751,15 @@ "zeta": 33.6753330742677, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 186, + "sidechain_VAL": 134, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2765, + "next": 1789, "sidechain_SER": null, "bm": 20.0, "xpr": false, - "prev": 2763, + "prev": 1787, "terminal_flag": false, "phi": -72.4641108889483, "chainID": "A", @@ -231434,7 +159794,7 @@ } }, { - "pk": 2765, + "pk": 1789, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -231452,15 +159812,15 @@ "zeta": 34.9011260939893, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 187, + "sidechain_VAL": 135, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2766, + "next": 1790, "sidechain_SER": null, "bm": 17.0, "xpr": false, - "prev": 2764, + "prev": 1788, "terminal_flag": false, "phi": -65.1377719132038, "chainID": "A", @@ -231495,7 +159855,7 @@ } }, { - "pk": 2766, + "pk": 1790, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -231517,11 +159877,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2767, + "next": 1791, "sidechain_SER": null, "bm": 20.0, "xpr": false, - "prev": 2765, + "prev": 1789, "terminal_flag": false, "phi": -91.3652116080727, "chainID": "A", @@ -231550,17 +159910,17 @@ "a5": 120.210841067542, "sidechain_LEU": null, "chainIndex": 1058, - "sidechain_HIS": 81, + "sidechain_HIS": 59, "h_bond_energy": 0.0, "a4": 106.019677207946 } }, { - "pk": 2767, + "pk": 1791, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 150, + "sidechain_PRO": 94, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -231578,11 +159938,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2768, + "next": 1792, "sidechain_SER": null, "bm": 21.0, "xpr": false, - "prev": 2766, + "prev": 1790, "terminal_flag": false, "phi": -59.9368147211192, "chainID": "A", @@ -231617,7 +159977,7 @@ } }, { - "pk": 2768, + "pk": 1792, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -231639,11 +159999,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2769, + "next": 1793, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 2767, + "prev": 1791, "terminal_flag": false, "phi": 112.944835530053, "chainID": "A", @@ -231678,7 +160038,7 @@ } }, { - "pk": 2769, + "pk": 1793, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -231700,11 +160060,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2770, + "next": 1794, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 2768, + "prev": 1792, "terminal_flag": false, "phi": -61.2841197840176, "chainID": "A", @@ -231724,7 +160084,7 @@ "L1": 1.33648689443642, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 188, + "sidechain_GLU": 130, "omep": null, "ss": "-", "a3": 112.204117207078, @@ -231739,7 +160099,7 @@ } }, { - "pk": 2770, + "pk": 1794, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -231758,14 +160118,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 70, + "sidechain_MET": 43, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2771, + "next": 1795, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 2769, + "prev": 1793, "terminal_flag": false, "phi": -83.9895075471237, "chainID": "A", @@ -231800,7 +160160,7 @@ } }, { - "pk": 2771, + "pk": 1795, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -231818,15 +160178,15 @@ "zeta": 33.3418250889726, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 188, + "sidechain_VAL": 136, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2772, + "next": 1796, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 2770, + "prev": 1794, "terminal_flag": false, "phi": -50.9168682515723, "chainID": "A", @@ -231861,7 +160221,7 @@ } }, { - "pk": 2772, + "pk": 1796, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -231883,11 +160243,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2773, + "next": 1797, "sidechain_SER": null, "bm": 20.0, "xpr": false, - "prev": 2771, + "prev": 1795, "terminal_flag": false, "phi": -62.5298426188472, "chainID": "A", @@ -231922,7 +160282,7 @@ } }, { - "pk": 2773, + "pk": 1797, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -231940,15 +160300,15 @@ "zeta": 34.6640463693796, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 189, + "sidechain_VAL": 137, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2774, + "next": 1798, "sidechain_SER": null, "bm": 17.0, "xpr": false, - "prev": 2772, + "prev": 1796, "terminal_flag": false, "phi": -51.7681439492625, "chainID": "A", @@ -231983,7 +160343,7 @@ } }, { - "pk": 2774, + "pk": 1798, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -232005,11 +160365,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2775, + "next": 1799, "sidechain_SER": null, "bm": 16.0, "xpr": false, - "prev": 2773, + "prev": 1797, "terminal_flag": false, "phi": -55.6941825422344, "chainID": "A", @@ -232036,7 +160396,7 @@ "bs": 17.0, "a2": 110.424548208728, "a5": 120.525565158329, - "sidechain_LEU": 224, + "sidechain_LEU": 164, "chainIndex": 1066, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -232044,7 +160404,7 @@ } }, { - "pk": 2775, + "pk": 1799, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -232066,11 +160426,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2776, + "next": 1800, "sidechain_SER": null, "bm": 16.0, "xpr": false, - "prev": 2774, + "prev": 1798, "terminal_flag": false, "phi": -62.1827528663648, "chainID": "A", @@ -232105,7 +160465,7 @@ } }, { - "pk": 2776, + "pk": 1800, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -232127,11 +160487,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2777, + "next": 1801, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 2775, + "prev": 1799, "terminal_flag": false, "phi": -68.1560976754261, "chainID": "A", @@ -232166,7 +160526,7 @@ } }, { - "pk": 2777, + "pk": 1801, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -232188,15 +160548,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2778, + "next": 1802, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 2776, + "prev": 1800, "terminal_flag": false, "phi": -67.8593494215611, "chainID": "A", - "sidechain_GLN": 108, + "sidechain_GLN": 81, "ome": 177.742203808789, "chi2": -170.207224096657, "chi3": -44.0043812988212, @@ -232227,7 +160587,7 @@ } }, { - "pk": 2778, + "pk": 1802, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -232249,11 +160609,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2779, - "sidechain_SER": 133, + "next": 1803, + "sidechain_SER": 87, "bm": 23.0, "xpr": false, - "prev": 2777, + "prev": 1801, "terminal_flag": false, "phi": -69.8925705719351, "chainID": "A", @@ -232288,7 +160648,7 @@ } }, { - "pk": 2779, + "pk": 1803, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -232301,7 +160661,7 @@ "oldID": "1072", "bg": 23.94, "sidechain_CYS": null, - "sidechain_ILE": 159, + "sidechain_ILE": 107, "protein": "1TWF", "zeta": 33.4598690787485, "sidechain_PHE": null, @@ -232310,11 +160670,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2780, + "next": 1804, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 2778, + "prev": 1802, "terminal_flag": false, "phi": -94.5788326698135, "chainID": "A", @@ -232349,7 +160709,7 @@ } }, { - "pk": 2780, + "pk": 1804, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -232371,11 +160731,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2781, + "next": 1805, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2779, + "prev": 1803, "terminal_flag": false, "phi": -81.3693749853308, "chainID": "A", @@ -232410,7 +160770,7 @@ } }, { - "pk": 2781, + "pk": 1805, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -232432,11 +160792,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2782, + "next": 1806, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 2780, + "prev": 1804, "terminal_flag": false, "phi": -50.7215235044423, "chainID": "A", @@ -232456,7 +160816,7 @@ "L1": 1.32783211978768, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 189, + "sidechain_GLU": 131, "omep": null, "ss": "H", "a3": 111.710890264919, @@ -232471,11 +160831,11 @@ } }, { - "pk": 2782, + "pk": 1806, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 151, + "sidechain_PRO": 95, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -232493,11 +160853,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2783, + "next": 1807, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 2781, + "prev": 1805, "terminal_flag": false, "phi": -67.4643122536808, "chainID": "A", @@ -232532,7 +160892,7 @@ } }, { - "pk": 2783, + "pk": 1807, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -232554,11 +160914,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2784, + "next": 1808, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 2782, + "prev": 1806, "terminal_flag": false, "phi": -68.0119878311742, "chainID": "A", @@ -232593,7 +160953,7 @@ } }, { - "pk": 2784, + "pk": 1808, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -232613,13 +160973,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 153, + "sidechain_THR": 92, "sidechain_TRP": null, - "next": 2785, + "next": 1809, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 2783, + "prev": 1807, "terminal_flag": false, "phi": -80.2268540636964, "chainID": "A", @@ -232654,7 +161014,7 @@ } }, { - "pk": 2785, + "pk": 1809, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -232676,15 +161036,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2786, + "next": 1810, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 2784, + "prev": 1808, "terminal_flag": false, "phi": -90.8322627193554, "chainID": "A", - "sidechain_GLN": 109, + "sidechain_GLN": 82, "ome": 179.754453401459, "chi2": -75.2313895316291, "chi3": -79.3856589537163, @@ -232715,7 +161075,7 @@ } }, { - "pk": 2786, + "pk": 1810, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -232734,14 +161094,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 71, + "sidechain_MET": 44, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2787, + "next": 1811, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 2785, + "prev": 1809, "terminal_flag": false, "phi": -113.241398423453, "chainID": "A", @@ -232776,7 +161136,7 @@ } }, { - "pk": 2787, + "pk": 1811, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -232796,13 +161156,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 154, + "sidechain_THR": 93, "sidechain_TRP": null, - "next": 2788, + "next": 1812, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 2786, + "prev": 1810, "terminal_flag": false, "phi": -108.796200471598, "chainID": "A", @@ -232837,7 +161197,7 @@ } }, { - "pk": 2788, + "pk": 1812, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -232863,7 +161223,7 @@ "sidechain_SER": null, "bm": 121.0, "xpr": false, - "prev": 2787, + "prev": 1811, "terminal_flag": false, "phi": -151.124678697282, "chainID": "A", @@ -232890,7 +161250,7 @@ "bs": 122.0, "a2": 110.808305425325, "a5": 120.917894454526, - "sidechain_LEU": 225, + "sidechain_LEU": 165, "chainIndex": 1080, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -232898,7 +161258,7 @@ } }, { - "pk": 2789, + "pk": 1813, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -232915,12 +161275,12 @@ "protein": "1TWF", "zeta": 34.5961104148982, "sidechain_PHE": null, - "sidechain_LYS": 187, + "sidechain_LYS": 108, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2790, + "next": 1814, "sidechain_SER": null, "bm": 120.0, "xpr": false, @@ -232959,7 +161319,7 @@ } }, { - "pk": 2790, + "pk": 1814, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -232976,16 +161336,16 @@ "protein": "1TWF", "zeta": 33.661791639581, "sidechain_PHE": null, - "sidechain_LYS": 188, + "sidechain_LYS": 109, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2791, + "next": 1815, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 2789, + "prev": 1813, "terminal_flag": false, "phi": -79.5835431861275, "chainID": "A", @@ -233020,7 +161380,7 @@ } }, { - "pk": 2791, + "pk": 1815, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -233038,15 +161398,15 @@ "zeta": 35.3882101362426, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 190, + "sidechain_VAL": 138, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2792, + "next": 1816, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 2790, + "prev": 1814, "terminal_flag": false, "phi": -131.098361423829, "chainID": "A", @@ -233081,7 +161441,7 @@ } }, { - "pk": 2792, + "pk": 1816, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -233101,13 +161461,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 155, + "sidechain_THR": 94, "sidechain_TRP": null, - "next": 2793, + "next": 1817, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 2791, + "prev": 1815, "terminal_flag": false, "phi": -66.0404841225426, "chainID": "A", @@ -233142,7 +161502,7 @@ } }, { - "pk": 2793, + "pk": 1817, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -233164,11 +161524,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2794, - "sidechain_SER": 134, + "next": 1818, + "sidechain_SER": 88, "bm": 75.0, "xpr": false, - "prev": 2792, + "prev": 1816, "terminal_flag": false, "phi": -136.162292477506, "chainID": "A", @@ -233203,7 +161563,7 @@ } }, { - "pk": 2794, + "pk": 1818, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -233225,11 +161585,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2795, + "next": 1819, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 2793, + "prev": 1817, "terminal_flag": false, "phi": 47.8561924258484, "chainID": "A", @@ -233264,7 +161624,7 @@ } }, { - "pk": 2795, + "pk": 1819, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -233282,15 +161642,15 @@ "zeta": 33.7703600328887, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 191, + "sidechain_VAL": 139, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2796, + "next": 1820, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 2794, + "prev": 1818, "terminal_flag": false, "phi": -56.8986078036921, "chainID": "A", @@ -233325,11 +161685,11 @@ } }, { - "pk": 2796, + "pk": 1820, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 152, + "sidechain_PRO": 96, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -233347,11 +161707,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2797, + "next": 1821, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 2795, + "prev": 1819, "terminal_flag": false, "phi": -53.6878456442782, "chainID": "A", @@ -233386,7 +161746,7 @@ } }, { - "pk": 2797, + "pk": 1821, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -233408,11 +161768,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2798, + "next": 1822, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2796, + "prev": 1820, "terminal_flag": false, "phi": -73.898553575909, "chainID": "A", @@ -233430,7 +161790,7 @@ "L3": 1.52849136310256, "a7": 122.700256058295, "L1": 1.33068914974324, - "sidechain_ARG": 139, + "sidechain_ARG": 98, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -233447,7 +161807,7 @@ } }, { - "pk": 2798, + "pk": 1822, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -233469,11 +161829,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2799, + "next": 1823, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2797, + "prev": 1821, "terminal_flag": false, "phi": -57.5926834210993, "chainID": "A", @@ -233500,7 +161860,7 @@ "bs": 51.0, "a2": 109.661922811123, "a5": 120.376743167457, - "sidechain_LEU": 226, + "sidechain_LEU": 166, "chainIndex": 1090, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -233508,7 +161868,7 @@ } }, { - "pk": 2799, + "pk": 1823, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -233525,16 +161885,16 @@ "protein": "1TWF", "zeta": 34.593756255303, "sidechain_PHE": null, - "sidechain_LYS": 189, + "sidechain_LYS": 110, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2800, + "next": 1824, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2798, + "prev": 1822, "terminal_flag": false, "phi": -68.8057800921185, "chainID": "A", @@ -233569,7 +161929,7 @@ } }, { - "pk": 2800, + "pk": 1824, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -233591,11 +161951,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2801, + "next": 1825, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2799, + "prev": 1823, "terminal_flag": false, "phi": -87.8949870293783, "chainID": "A", @@ -233615,7 +161975,7 @@ "L1": 1.32908896772925, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 190, + "sidechain_GLU": 132, "omep": null, "ss": "H", "a3": 108.664779059394, @@ -233630,7 +161990,7 @@ } }, { - "pk": 2801, + "pk": 1825, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -233643,7 +162003,7 @@ "oldID": "1104", "bg": 47.12, "sidechain_CYS": null, - "sidechain_ILE": 160, + "sidechain_ILE": 108, "protein": "1TWF", "zeta": 34.5129262935075, "sidechain_PHE": null, @@ -233652,11 +162012,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2802, + "next": 1826, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 2800, + "prev": 1824, "terminal_flag": false, "phi": -80.1785818150622, "chainID": "A", @@ -233691,7 +162051,7 @@ } }, { - "pk": 2802, + "pk": 1826, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -233713,11 +162073,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2803, + "next": 1827, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2801, + "prev": 1825, "terminal_flag": false, "phi": -66.7714499695521, "chainID": "A", @@ -233744,7 +162104,7 @@ "bs": 43.0, "a2": 109.673652935833, "a5": 120.498616220415, - "sidechain_LEU": 227, + "sidechain_LEU": 167, "chainIndex": 1094, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -233752,12 +162112,12 @@ } }, { - "pk": 2803, + "pk": 1827, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 122, + "sidechain_ASN": 73, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.638191833135, @@ -233774,11 +162134,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2804, + "next": 1828, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2802, + "prev": 1826, "terminal_flag": false, "phi": -88.7942926888878, "chainID": "A", @@ -233813,7 +162173,7 @@ } }, { - "pk": 2804, + "pk": 1828, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -233831,15 +162191,15 @@ "zeta": 34.1538464953856, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 192, + "sidechain_VAL": 140, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2805, + "next": 1829, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 2803, + "prev": 1827, "terminal_flag": false, "phi": 57.468484900476, "chainID": "A", @@ -233874,7 +162234,7 @@ } }, { - "pk": 2805, + "pk": 1829, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -233896,11 +162256,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2806, + "next": 1830, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 2804, + "prev": 1828, "terminal_flag": false, "phi": -76.2691980646286, "chainID": "A", @@ -233935,7 +162295,7 @@ } }, { - "pk": 2806, + "pk": 1830, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -233952,16 +162312,16 @@ "protein": "1TWF", "zeta": 34.1065958877425, "sidechain_PHE": null, - "sidechain_LYS": 190, + "sidechain_LYS": 111, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2807, + "next": 1831, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 2805, + "prev": 1829, "terminal_flag": false, "phi": -73.0083824713354, "chainID": "A", @@ -233996,12 +162356,12 @@ } }, { - "pk": 2807, + "pk": 1831, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 123, + "sidechain_ASN": 74, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.590580635557, @@ -234018,11 +162378,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2808, + "next": 1832, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 2806, + "prev": 1830, "terminal_flag": false, "phi": -107.837814309179, "chainID": "A", @@ -234057,7 +162417,7 @@ } }, { - "pk": 2808, + "pk": 1832, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -234076,14 +162436,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 72, + "sidechain_MET": 45, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2809, + "next": 1833, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 2807, + "prev": 1831, "terminal_flag": false, "phi": -69.3117314980526, "chainID": "A", @@ -234118,7 +162478,7 @@ } }, { - "pk": 2809, + "pk": 1833, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -234135,16 +162495,16 @@ "protein": "1TWF", "zeta": 34.4949389083384, "sidechain_PHE": null, - "sidechain_LYS": 191, + "sidechain_LYS": 112, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2810, + "next": 1834, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 2808, + "prev": 1832, "terminal_flag": false, "phi": -72.6169787134303, "chainID": "A", @@ -234179,7 +162539,7 @@ } }, { - "pk": 2810, + "pk": 1834, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -234199,13 +162559,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 156, + "sidechain_THR": 95, "sidechain_TRP": null, - "next": 2811, + "next": 1835, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 2809, + "prev": 1833, "terminal_flag": false, "phi": -125.557024376304, "chainID": "A", @@ -234240,11 +162600,11 @@ } }, { - "pk": 2811, + "pk": 1835, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 153, + "sidechain_PRO": 97, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -234262,11 +162622,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2812, + "next": 1836, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 2810, + "prev": 1834, "terminal_flag": false, "phi": -56.8979652200038, "chainID": "A", @@ -234301,7 +162661,7 @@ } }, { - "pk": 2812, + "pk": 1836, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -234323,11 +162683,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2813, - "sidechain_SER": 135, + "next": 1837, + "sidechain_SER": 89, "bm": 48.0, "xpr": false, - "prev": 2811, + "prev": 1835, "terminal_flag": false, "phi": -107.392729284097, "chainID": "A", @@ -234362,7 +162722,7 @@ } }, { - "pk": 2813, + "pk": 1837, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -234384,11 +162744,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2814, + "next": 1838, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2812, + "prev": 1836, "terminal_flag": false, "phi": -149.541815040433, "chainID": "A", @@ -234415,7 +162775,7 @@ "bs": 42.0, "a2": 109.224391316112, "a5": 119.496355397884, - "sidechain_LEU": 228, + "sidechain_LEU": 168, "chainIndex": 1105, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -234423,7 +162783,7 @@ } }, { - "pk": 2814, + "pk": 1838, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -234443,13 +162803,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 157, + "sidechain_THR": 96, "sidechain_TRP": null, - "next": 2815, + "next": 1839, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 2813, + "prev": 1837, "terminal_flag": false, "phi": -104.372366975986, "chainID": "A", @@ -234484,7 +162844,7 @@ } }, { - "pk": 2815, + "pk": 1839, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -234502,15 +162862,15 @@ "zeta": 33.3267042953776, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 193, + "sidechain_VAL": 141, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2816, + "next": 1840, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 2814, + "prev": 1838, "terminal_flag": false, "phi": -116.749756919748, "chainID": "A", @@ -234545,7 +162905,7 @@ } }, { - "pk": 2816, + "pk": 1840, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -234567,11 +162927,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2817, + "next": 1841, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2815, + "prev": 1839, "terminal_flag": false, "phi": -90.1539238461945, "chainID": "A", @@ -234590,7 +162950,7 @@ "a7": 123.234689640468, "L1": 1.33295685669971, "sidechain_ARG": null, - "sidechain_TYR": 84, + "sidechain_TYR": 41, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -234606,7 +162966,7 @@ } }, { - "pk": 2817, + "pk": 1841, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -234628,11 +162988,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2818, + "next": 1842, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 2816, + "prev": 1840, "terminal_flag": false, "phi": -89.2793806112286, "chainID": "A", @@ -234659,7 +163019,7 @@ "bs": 55.0, "a2": 109.877369798859, "a5": 121.635491818598, - "sidechain_LEU": 229, + "sidechain_LEU": 169, "chainIndex": 1109, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -234667,7 +163027,7 @@ } }, { - "pk": 2818, + "pk": 1842, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -234689,11 +163049,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2819, + "next": 1843, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 2817, + "prev": 1841, "terminal_flag": false, "phi": -53.6897881009079, "chainID": "A", @@ -234713,7 +163073,7 @@ "L1": 1.32426506133983, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 191, + "sidechain_GLU": 133, "omep": null, "ss": "-", "a3": 108.429494799932, @@ -234728,11 +163088,11 @@ } }, { - "pk": 2819, + "pk": 1843, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 154, + "sidechain_PRO": 98, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -234750,11 +163110,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2820, + "next": 1844, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 2818, + "prev": 1842, "terminal_flag": false, "phi": -35.7995846339531, "chainID": "A", @@ -234789,7 +163149,7 @@ } }, { - "pk": 2820, + "pk": 1844, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -234811,11 +163171,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2821, + "next": 1845, "sidechain_SER": null, "bm": 91.0, "xpr": false, - "prev": 2819, + "prev": 1843, "terminal_flag": false, "phi": -78.4715863667183, "chainID": "A", @@ -234850,7 +163210,7 @@ } }, { - "pk": 2821, + "pk": 1845, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -234872,11 +163232,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2822, + "next": 1846, "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 2820, + "prev": 1844, "terminal_flag": false, "phi": -94.4777041061085, "chainID": "A", @@ -234905,13 +163265,13 @@ "a5": 120.416881266372, "sidechain_LEU": null, "chainIndex": 1113, - "sidechain_HIS": 82, + "sidechain_HIS": 60, "h_bond_energy": 0.0, "a4": 108.852523788815 } }, { - "pk": 2822, + "pk": 1846, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -234933,11 +163293,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2823, + "next": 1847, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 2821, + "prev": 1845, "terminal_flag": false, "phi": -101.375889684181, "chainID": "A", @@ -234972,7 +163332,7 @@ } }, { - "pk": 2823, + "pk": 1847, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -234994,11 +163354,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2824, + "next": 1848, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 2822, + "prev": 1846, "terminal_flag": false, "phi": -117.194122384562, "chainID": "A", @@ -235033,14 +163393,14 @@ } }, { - "pk": 2824, + "pk": 1848, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 172, + "sidechain_ASP": 119, "a6": 115.585349797309, "psi": 110.220826250966, "oldID": "1127", @@ -235055,11 +163415,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2825, + "next": 1849, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 2823, + "prev": 1847, "terminal_flag": false, "phi": -119.562380713192, "chainID": "A", @@ -235094,7 +163454,7 @@ } }, { - "pk": 2825, + "pk": 1849, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -235116,15 +163476,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2826, + "next": 1850, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 2824, + "prev": 1848, "terminal_flag": false, "phi": -52.6932423265788, "chainID": "A", - "sidechain_GLN": 110, + "sidechain_GLN": 83, "ome": -178.826160196229, "chi2": 78.0508809602993, "chi3": -67.4617981884387, @@ -235155,7 +163515,7 @@ } }, { - "pk": 2826, + "pk": 1850, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -235177,11 +163537,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2827, + "next": 1851, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 2825, + "prev": 1849, "terminal_flag": false, "phi": -81.498094953182, "chainID": "A", @@ -235201,7 +163561,7 @@ "L1": 1.32913984996215, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 192, + "sidechain_GLU": 134, "omep": null, "ss": "H", "a3": 113.536293547155, @@ -235216,7 +163576,7 @@ } }, { - "pk": 2827, + "pk": 1851, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -235238,15 +163598,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2828, + "next": 1852, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 2826, + "prev": 1850, "terminal_flag": false, "phi": -67.973485719741, "chainID": "A", - "sidechain_GLN": 111, + "sidechain_GLN": 84, "ome": 178.692677078658, "chi2": -72.3593246903778, "chi3": -87.5320042443081, @@ -235277,7 +163637,7 @@ } }, { - "pk": 2828, + "pk": 1852, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -235299,11 +163659,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2829, + "next": 1853, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 2827, + "prev": 1851, "terminal_flag": false, "phi": -80.5069542327066, "chainID": "A", @@ -235338,7 +163698,7 @@ } }, { - "pk": 2829, + "pk": 1853, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -235355,16 +163715,16 @@ "protein": "1TWF", "zeta": 33.9118152197908, "sidechain_PHE": null, - "sidechain_LYS": 192, + "sidechain_LYS": 113, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2830, + "next": 1854, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 2828, + "prev": 1852, "terminal_flag": false, "phi": -48.3478765795763, "chainID": "A", @@ -235399,7 +163759,7 @@ } }, { - "pk": 2830, + "pk": 1854, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -235421,11 +163781,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2831, + "next": 1855, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 2829, + "prev": 1853, "terminal_flag": false, "phi": -56.0053487613086, "chainID": "A", @@ -235452,7 +163812,7 @@ "bs": 68.0, "a2": 110.598474678722, "a5": 120.827109786395, - "sidechain_LEU": 230, + "sidechain_LEU": 170, "chainIndex": 1122, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -235460,7 +163820,7 @@ } }, { - "pk": 2831, + "pk": 1855, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -235473,7 +163833,7 @@ "oldID": "1134", "bg": 65.62, "sidechain_CYS": null, - "sidechain_ILE": 161, + "sidechain_ILE": 109, "protein": "1TWF", "zeta": 33.5211418433067, "sidechain_PHE": null, @@ -235482,11 +163842,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2832, + "next": 1856, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 2830, + "prev": 1854, "terminal_flag": false, "phi": -64.846258747568, "chainID": "A", @@ -235521,7 +163881,7 @@ } }, { - "pk": 2832, + "pk": 1856, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -235543,11 +163903,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2833, + "next": 1857, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 2831, + "prev": 1855, "terminal_flag": false, "phi": -63.3824923662351, "chainID": "A", @@ -235565,7 +163925,7 @@ "L3": 1.53287770486052, "a7": 122.827423687442, "L1": 1.33224547164094, - "sidechain_ARG": 140, + "sidechain_ARG": 99, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -235582,7 +163942,7 @@ } }, { - "pk": 2833, + "pk": 1857, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -235604,11 +163964,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2834, - "sidechain_SER": 136, + "next": 1858, + "sidechain_SER": 90, "bm": 58.0, "xpr": false, - "prev": 2832, + "prev": 1856, "terminal_flag": false, "phi": -60.6151878838811, "chainID": "A", @@ -235643,7 +164003,7 @@ } }, { - "pk": 2834, + "pk": 1858, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -235665,11 +164025,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2835, + "next": 1859, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 2833, + "prev": 1857, "terminal_flag": false, "phi": -85.5054813983198, "chainID": "A", @@ -235704,7 +164064,7 @@ } }, { - "pk": 2835, + "pk": 1859, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -235717,7 +164077,7 @@ "oldID": "1138", "bg": 55.92, "sidechain_CYS": null, - "sidechain_ILE": 162, + "sidechain_ILE": 110, "protein": "1TWF", "zeta": 35.184209947955, "sidechain_PHE": null, @@ -235726,11 +164086,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2836, + "next": 1860, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 2834, + "prev": 1858, "terminal_flag": false, "phi": -106.148734160006, "chainID": "A", @@ -235765,7 +164125,7 @@ } }, { - "pk": 2836, + "pk": 1860, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -235787,11 +164147,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2837, + "next": 1861, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 2835, + "prev": 1859, "terminal_flag": false, "phi": -59.9359363298607, "chainID": "A", @@ -235811,7 +164171,7 @@ "L1": 1.33561429114114, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 193, + "sidechain_GLU": 135, "omep": null, "ss": "S", "a3": 110.354007979982, @@ -235826,7 +164186,7 @@ } }, { - "pk": 2837, + "pk": 1861, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -235848,11 +164208,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2838, + "next": 1862, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 2836, + "prev": 1860, "terminal_flag": false, "phi": -59.0468449185801, "chainID": "A", @@ -235881,13 +164241,13 @@ "a5": 120.773007635447, "sidechain_LEU": null, "chainIndex": 1129, - "sidechain_HIS": 83, + "sidechain_HIS": 61, "h_bond_energy": 0.0, "a4": 108.488909648645 } }, { - "pk": 2838, + "pk": 1862, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -235907,13 +164267,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 158, + "sidechain_THR": 97, "sidechain_TRP": null, - "next": 2839, + "next": 1863, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2837, + "prev": 1861, "terminal_flag": false, "phi": -135.129392727012, "chainID": "A", @@ -235948,7 +164308,7 @@ } }, { - "pk": 2839, + "pk": 1863, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -235968,13 +164328,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 159, + "sidechain_THR": 98, "sidechain_TRP": null, - "next": 2840, + "next": 1864, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2838, + "prev": 1862, "terminal_flag": false, "phi": -115.723805089771, "chainID": "A", @@ -236009,7 +164369,7 @@ } }, { - "pk": 2840, + "pk": 1864, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -236031,11 +164391,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2841, + "next": 1865, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2839, + "prev": 1863, "terminal_flag": false, "phi": -58.315348301995, "chainID": "A", @@ -236062,7 +164422,7 @@ "bs": 49.0, "a2": 109.085682882545, "a5": 120.420845653207, - "sidechain_LEU": 231, + "sidechain_LEU": 171, "chainIndex": 1132, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -236070,7 +164430,7 @@ } }, { - "pk": 2841, + "pk": 1865, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -236087,16 +164447,16 @@ "protein": "1TWF", "zeta": 33.9876770097025, "sidechain_PHE": null, - "sidechain_LYS": 193, + "sidechain_LYS": 114, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2842, + "next": 1866, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 2840, + "prev": 1864, "terminal_flag": false, "phi": -51.6504947055132, "chainID": "A", @@ -236131,7 +164491,7 @@ } }, { - "pk": 2842, + "pk": 1866, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -236153,11 +164513,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2843, - "sidechain_SER": 137, + "next": 1867, + "sidechain_SER": 91, "bm": 52.0, "xpr": false, - "prev": 2841, + "prev": 1865, "terminal_flag": false, "phi": -69.7379585503077, "chainID": "A", @@ -236192,7 +164552,7 @@ } }, { - "pk": 2843, + "pk": 1867, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -236210,15 +164570,15 @@ "zeta": 34.874697321354, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 194, + "sidechain_VAL": 142, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2844, + "next": 1868, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2842, + "prev": 1866, "terminal_flag": false, "phi": -115.089217016235, "chainID": "A", @@ -236253,7 +164613,7 @@ } }, { - "pk": 2844, + "pk": 1868, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -236273,13 +164633,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 160, + "sidechain_THR": 99, "sidechain_TRP": null, - "next": 2845, + "next": 1869, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2843, + "prev": 1867, "terminal_flag": false, "phi": -72.1466085920862, "chainID": "A", @@ -236314,7 +164674,7 @@ } }, { - "pk": 2845, + "pk": 1869, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -236327,7 +164687,7 @@ "oldID": "1148", "bg": 49.39, "sidechain_CYS": null, - "sidechain_ILE": 163, + "sidechain_ILE": 111, "protein": "1TWF", "zeta": 34.7524249543859, "sidechain_PHE": null, @@ -236336,11 +164696,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2846, + "next": 1870, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2844, + "prev": 1868, "terminal_flag": false, "phi": -89.3668043223118, "chainID": "A", @@ -236375,7 +164735,7 @@ } }, { - "pk": 2846, + "pk": 1870, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -236397,11 +164757,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2847, + "next": 1871, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2845, + "prev": 1869, "terminal_flag": false, "phi": -166.342661246161, "chainID": "A", @@ -236436,7 +164796,7 @@ } }, { - "pk": 2847, + "pk": 1871, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -236458,11 +164818,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2848, - "sidechain_SER": 138, + "next": 1872, + "sidechain_SER": 92, "bm": 42.0, "xpr": false, - "prev": 2846, + "prev": 1870, "terminal_flag": false, "phi": -114.723314190417, "chainID": "A", @@ -236497,7 +164857,7 @@ } }, { - "pk": 2848, + "pk": 1872, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -236519,11 +164879,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2849, + "next": 1873, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2847, + "prev": 1871, "terminal_flag": false, "phi": -133.418385739325, "chainID": "A", @@ -236543,7 +164903,7 @@ "L1": 1.33351381947736, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 194, + "sidechain_GLU": 136, "omep": null, "ss": "E", "a3": 112.380349224728, @@ -236558,7 +164918,7 @@ } }, { - "pk": 2849, + "pk": 1873, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -236571,7 +164931,7 @@ "oldID": "1152", "bg": 38.94, "sidechain_CYS": null, - "sidechain_ILE": 164, + "sidechain_ILE": 112, "protein": "1TWF", "zeta": 34.3737396649018, "sidechain_PHE": null, @@ -236580,11 +164940,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2850, + "next": 1874, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2848, + "prev": 1872, "terminal_flag": false, "phi": -116.475952989729, "chainID": "A", @@ -236619,7 +164979,7 @@ } }, { - "pk": 2850, + "pk": 1874, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -236641,11 +165001,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2851, + "next": 1875, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2849, + "prev": 1873, "terminal_flag": false, "phi": -124.742884135924, "chainID": "A", @@ -236664,7 +165024,7 @@ "a7": 123.657688605043, "L1": 1.32972338592496, "sidechain_ARG": null, - "sidechain_TYR": 85, + "sidechain_TYR": 42, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -236680,7 +165040,7 @@ } }, { - "pk": 2851, + "pk": 1875, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -236702,11 +165062,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2852, + "next": 1876, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 2850, + "prev": 1874, "terminal_flag": false, "phi": -104.704042244352, "chainID": "A", @@ -236725,7 +165085,7 @@ "a7": 123.128461244065, "L1": 1.32673745061059, "sidechain_ARG": null, - "sidechain_TYR": 86, + "sidechain_TYR": 43, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -236741,14 +165101,14 @@ } }, { - "pk": 2852, + "pk": 1876, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 173, + "sidechain_ASP": 120, "a6": 116.807059171314, "psi": 87.736387814649, "oldID": "1155", @@ -236763,11 +165123,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2853, + "next": 1877, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 2851, + "prev": 1875, "terminal_flag": false, "phi": -121.182207613501, "chainID": "A", @@ -236802,11 +165162,11 @@ } }, { - "pk": 2853, + "pk": 1877, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 155, + "sidechain_PRO": 99, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -236824,11 +165184,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2854, + "next": 1878, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 2852, + "prev": 1876, "terminal_flag": false, "phi": -61.3046029599384, "chainID": "A", @@ -236863,14 +165223,14 @@ } }, { - "pk": 2854, + "pk": 1878, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 174, + "sidechain_ASP": 121, "a6": 116.984853340322, "psi": 105.391328556028, "oldID": "1157", @@ -236885,11 +165245,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2855, + "next": 1879, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 2853, + "prev": 1877, "terminal_flag": false, "phi": -89.1325345193099, "chainID": "A", @@ -236924,11 +165284,11 @@ } }, { - "pk": 2855, + "pk": 1879, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 156, + "sidechain_PRO": 100, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -236946,11 +165306,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2856, + "next": 1880, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 2854, + "prev": 1878, "terminal_flag": false, "phi": -55.2584128712863, "chainID": "A", @@ -236985,7 +165345,7 @@ } }, { - "pk": 2856, + "pk": 1880, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -237007,11 +165367,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2857, + "next": 1881, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 2855, + "prev": 1879, "terminal_flag": false, "phi": -94.194991397851, "chainID": "A", @@ -237029,7 +165389,7 @@ "L3": 1.52797583020816, "a7": 122.7170634129, "L1": 1.33196294838872, - "sidechain_ARG": 141, + "sidechain_ARG": 100, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -237046,7 +165406,7 @@ } }, { - "pk": 2857, + "pk": 1881, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -237068,11 +165428,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2858, - "sidechain_SER": 139, + "next": 1882, + "sidechain_SER": 93, "bm": 85.0, "xpr": false, - "prev": 2856, + "prev": 1880, "terminal_flag": false, "phi": -72.6931965275874, "chainID": "A", @@ -237107,7 +165467,7 @@ } }, { - "pk": 2858, + "pk": 1882, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -237127,13 +165487,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 161, + "sidechain_THR": 100, "sidechain_TRP": null, - "next": 2859, + "next": 1883, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 2857, + "prev": 1881, "terminal_flag": false, "phi": -144.750132290275, "chainID": "A", @@ -237168,7 +165528,7 @@ } }, { - "pk": 2859, + "pk": 1883, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -237186,15 +165546,15 @@ "zeta": 35.6071516749543, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 195, + "sidechain_VAL": 143, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2860, + "next": 1884, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 2858, + "prev": 1882, "terminal_flag": false, "phi": -57.8596021280206, "chainID": "A", @@ -237229,7 +165589,7 @@ } }, { - "pk": 2860, + "pk": 1884, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -237242,7 +165602,7 @@ "oldID": "1163", "bg": 73.44, "sidechain_CYS": null, - "sidechain_ILE": 165, + "sidechain_ILE": 113, "protein": "1TWF", "zeta": 34.6149701860227, "sidechain_PHE": null, @@ -237251,11 +165611,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2861, + "next": 1885, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 2859, + "prev": 1883, "terminal_flag": false, "phi": -85.1122101974549, "chainID": "A", @@ -237290,11 +165650,11 @@ } }, { - "pk": 2861, + "pk": 1885, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 157, + "sidechain_PRO": 101, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -237312,11 +165672,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2862, + "next": 1886, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 2860, + "prev": 1884, "terminal_flag": false, "phi": -58.8395120368485, "chainID": "A", @@ -237351,7 +165711,7 @@ } }, { - "pk": 2862, + "pk": 1886, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -237373,11 +165733,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2863, + "next": 1887, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 2861, + "prev": 1885, "terminal_flag": false, "phi": -56.0556996241024, "chainID": "A", @@ -237397,7 +165757,7 @@ "L1": 1.32634389161745, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 195, + "sidechain_GLU": 137, "omep": null, "ss": "G", "a3": 113.715173509308, @@ -237412,14 +165772,14 @@ } }, { - "pk": 2863, + "pk": 1887, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 175, + "sidechain_ASP": 122, "a6": 117.409992998346, "psi": 19.2472946566243, "oldID": "1166", @@ -237434,11 +165794,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2864, + "next": 1888, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 2862, + "prev": 1886, "terminal_flag": false, "phi": -96.2826797972462, "chainID": "A", @@ -237473,7 +165833,7 @@ } }, { - "pk": 2864, + "pk": 1888, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -237495,11 +165855,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2865, + "next": 1889, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 2863, + "prev": 1887, "terminal_flag": false, "phi": -85.1861223767738, "chainID": "A", @@ -237519,7 +165879,7 @@ "L1": 1.32731924719332, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 196, + "sidechain_GLU": 138, "omep": null, "ss": "H", "a3": 110.768345343976, @@ -237534,7 +165894,7 @@ } }, { - "pk": 2865, + "pk": 1889, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -237556,11 +165916,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2866, + "next": 1890, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 2864, + "prev": 1888, "terminal_flag": false, "phi": -63.5032416743771, "chainID": "A", @@ -237580,7 +165940,7 @@ "L1": 1.32356351783627, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 197, + "sidechain_GLU": 139, "omep": null, "ss": "H", "a3": 110.351419732275, @@ -237595,7 +165955,7 @@ } }, { - "pk": 2866, + "pk": 1890, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -237608,7 +165968,7 @@ "oldID": "1169", "bg": 90.7, "sidechain_CYS": null, - "sidechain_ILE": 166, + "sidechain_ILE": 114, "protein": "1TWF", "zeta": 33.4211148073399, "sidechain_PHE": null, @@ -237617,11 +165977,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2867, + "next": 1891, "sidechain_SER": null, "bm": 93.0, "xpr": false, - "prev": 2865, + "prev": 1889, "terminal_flag": false, "phi": -84.3447303780638, "chainID": "A", @@ -237656,7 +166016,7 @@ } }, { - "pk": 2867, + "pk": 1891, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -237669,7 +166029,7 @@ "oldID": "1170", "bg": 100.4, "sidechain_CYS": null, - "sidechain_ILE": 167, + "sidechain_ILE": 115, "protein": "1TWF", "zeta": 34.0473662516601, "sidechain_PHE": null, @@ -237678,11 +166038,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2868, + "next": 1892, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 2866, + "prev": 1890, "terminal_flag": false, "phi": -87.5443721630106, "chainID": "A", @@ -237717,7 +166077,7 @@ } }, { - "pk": 2868, + "pk": 1892, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -237739,15 +166099,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2869, + "next": 1893, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 2867, + "prev": 1891, "terminal_flag": false, "phi": -61.4535981069821, "chainID": "A", - "sidechain_GLN": 112, + "sidechain_GLN": 85, "ome": -179.393183759276, "chi2": 179.725298723011, "chi3": -63.286664541382, @@ -237778,7 +166138,7 @@ } }, { - "pk": 2869, + "pk": 1893, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -237800,11 +166160,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2870, + "next": 1894, "sidechain_SER": null, "bm": 120.0, "xpr": false, - "prev": 2868, + "prev": 1892, "terminal_flag": false, "phi": -79.4185484527064, "chainID": "A", @@ -237831,7 +166191,7 @@ "bs": 121.0, "a2": 110.119695563172, "a5": 120.212909829697, - "sidechain_LEU": 232, + "sidechain_LEU": 172, "chainIndex": 1161, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -237839,7 +166199,7 @@ } }, { - "pk": 2870, + "pk": 1894, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -237861,11 +166221,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2871, + "next": 1895, "sidechain_SER": null, "bm": 129.0, "xpr": false, - "prev": 2869, + "prev": 1893, "terminal_flag": false, "phi": -111.594454325682, "chainID": "A", @@ -237894,13 +166254,13 @@ "a5": 121.108293080381, "sidechain_LEU": null, "chainIndex": 1162, - "sidechain_HIS": 84, + "sidechain_HIS": 62, "h_bond_energy": 0.0, "a4": 110.541072100753 } }, { - "pk": 2871, + "pk": 1895, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -237916,17 +166276,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7682822953387, - "sidechain_PHE": 107, + "sidechain_PHE": 74, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2872, + "next": 1896, "sidechain_SER": null, "bm": 136.0, "xpr": false, - "prev": 2870, + "prev": 1894, "terminal_flag": false, "phi": -143.710838764365, "chainID": "A", @@ -237961,7 +166321,7 @@ } }, { - "pk": 2872, + "pk": 1896, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -237983,11 +166343,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2873, - "sidechain_SER": 140, + "next": 1897, + "sidechain_SER": 94, "bm": 140.0, "xpr": false, - "prev": 2871, + "prev": 1895, "terminal_flag": false, "phi": -126.92325325285, "chainID": "A", @@ -238022,7 +166382,7 @@ } }, { - "pk": 2873, + "pk": 1897, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -238048,7 +166408,7 @@ "sidechain_SER": null, "bm": 142.0, "xpr": false, - "prev": 2872, + "prev": 1896, "terminal_flag": false, "phi": -64.4602426402503, "chainID": "A", @@ -238075,7 +166435,7 @@ "bs": 141.0, "a2": 109.90302535594, "a5": 120.885580891452, - "sidechain_LEU": 233, + "sidechain_LEU": 173, "chainIndex": 1165, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -238083,7 +166443,7 @@ } }, { - "pk": 2874, + "pk": 1898, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -238105,7 +166465,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2875, + "next": 1899, "sidechain_SER": null, "bm": 92.0, "xpr": false, @@ -238113,7 +166473,7 @@ "terminal_flag": false, "phi": null, "chainID": "A", - "sidechain_GLN": 113, + "sidechain_GLN": 86, "ome": -179.4609733654, "chi2": 156.916937194548, "chi3": 42.2143748847473, @@ -238144,7 +166504,7 @@ } }, { - "pk": 2875, + "pk": 1899, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -238166,15 +166526,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2876, + "next": 1900, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 2874, + "prev": 1898, "terminal_flag": false, "phi": -81.9192339691254, "chainID": "A", - "sidechain_GLN": 114, + "sidechain_GLN": 87, "ome": 179.478462627728, "chi2": 168.673898432017, "chi3": 40.9721007441398, @@ -238205,7 +166565,7 @@ } }, { - "pk": 2876, + "pk": 1900, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -238227,11 +166587,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2877, - "sidechain_SER": 141, + "next": 1901, + "sidechain_SER": 95, "bm": 71.0, "xpr": false, - "prev": 2875, + "prev": 1899, "terminal_flag": false, "phi": -68.8252717369596, "chainID": "A", @@ -238266,11 +166626,11 @@ } }, { - "pk": 2877, + "pk": 1901, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 158, + "sidechain_PRO": 102, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -238288,11 +166648,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2878, + "next": 1902, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 2876, + "prev": 1900, "terminal_flag": false, "phi": -70.7029153544249, "chainID": "A", @@ -238327,7 +166687,7 @@ } }, { - "pk": 2878, + "pk": 1902, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -238348,12 +166708,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 47, - "next": 2879, + "sidechain_TRP": 15, + "next": 1903, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 2877, + "prev": 1901, "terminal_flag": false, "phi": -84.8969728504265, "chainID": "A", @@ -238388,7 +166748,7 @@ } }, { - "pk": 2879, + "pk": 1903, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -238410,11 +166770,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2880, + "next": 1904, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2878, + "prev": 1902, "terminal_flag": false, "phi": -117.20251427905, "chainID": "A", @@ -238441,7 +166801,7 @@ "bs": 46.0, "a2": 109.788816200477, "a5": 121.26567627242, - "sidechain_LEU": 234, + "sidechain_LEU": 174, "chainIndex": 1171, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -238449,7 +166809,7 @@ } }, { - "pk": 2880, + "pk": 1904, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -238471,11 +166831,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2881, + "next": 1905, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2879, + "prev": 1903, "terminal_flag": false, "phi": -117.798837308023, "chainID": "A", @@ -238502,7 +166862,7 @@ "bs": 40.0, "a2": 110.899974586453, "a5": 120.509753206539, - "sidechain_LEU": 235, + "sidechain_LEU": 175, "chainIndex": 1172, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -238510,7 +166870,7 @@ } }, { - "pk": 2881, + "pk": 1905, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -238532,11 +166892,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2882, + "next": 1906, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2880, + "prev": 1904, "terminal_flag": false, "phi": -114.422207551345, "chainID": "A", @@ -238554,7 +166914,7 @@ "L3": 1.53836948249717, "a7": 122.944309438656, "L1": 1.32311155703454, - "sidechain_ARG": 142, + "sidechain_ARG": 101, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -238571,7 +166931,7 @@ } }, { - "pk": 2882, + "pk": 1906, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -238593,11 +166953,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2883, + "next": 1907, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2881, + "prev": 1905, "terminal_flag": false, "phi": -117.621333017702, "chainID": "A", @@ -238624,7 +166984,7 @@ "bs": 45.0, "a2": 110.940520656946, "a5": 121.060544437708, - "sidechain_LEU": 236, + "sidechain_LEU": 176, "chainIndex": 1174, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -238632,7 +166992,7 @@ } }, { - "pk": 2883, + "pk": 1907, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -238654,11 +167014,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2884, + "next": 1908, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2882, + "prev": 1906, "terminal_flag": false, "phi": -109.014151888244, "chainID": "A", @@ -238678,7 +167038,7 @@ "L1": 1.32710380673012, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 198, + "sidechain_GLU": 140, "omep": null, "ss": "E", "a3": 108.926164850101, @@ -238693,7 +167053,7 @@ } }, { - "pk": 2884, + "pk": 1908, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -238715,11 +167075,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2885, + "next": 1909, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 2883, + "prev": 1907, "terminal_flag": false, "phi": -74.015992984795, "chainID": "A", @@ -238746,7 +167106,7 @@ "bs": 56.0, "a2": 110.353341537284, "a5": 121.704741098152, - "sidechain_LEU": 237, + "sidechain_LEU": 177, "chainIndex": 1176, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -238754,14 +167114,14 @@ } }, { - "pk": 2885, + "pk": 1909, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 176, + "sidechain_ASP": 123, "a6": 115.18428855431, "psi": 117.259476344043, "oldID": "1198", @@ -238776,11 +167136,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2886, + "next": 1910, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 2884, + "prev": 1908, "terminal_flag": false, "phi": -114.323299834982, "chainID": "A", @@ -238815,7 +167175,7 @@ } }, { - "pk": 2886, + "pk": 1910, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -238837,11 +167197,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2887, + "next": 1911, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 2885, + "prev": 1909, "terminal_flag": false, "phi": -55.526880675238, "chainID": "A", @@ -238859,7 +167219,7 @@ "L3": 1.53907400379055, "a7": 122.514357391685, "L1": 1.33190375900796, - "sidechain_ARG": 143, + "sidechain_ARG": 102, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -238876,7 +167236,7 @@ } }, { - "pk": 2887, + "pk": 1911, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -238898,11 +167258,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2888, + "next": 1912, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 2886, + "prev": 1910, "terminal_flag": false, "phi": -52.9376337056947, "chainID": "A", @@ -238937,7 +167297,7 @@ } }, { - "pk": 2888, + "pk": 1912, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -238959,11 +167319,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2889, + "next": 1913, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 2887, + "prev": 1911, "terminal_flag": false, "phi": -76.1904671272119, "chainID": "A", @@ -238998,7 +167358,7 @@ } }, { - "pk": 2889, + "pk": 1913, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -239017,14 +167377,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 73, + "sidechain_MET": 46, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2890, + "next": 1914, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 2888, + "prev": 1912, "terminal_flag": false, "phi": -53.6319237740153, "chainID": "A", @@ -239059,12 +167419,12 @@ } }, { - "pk": 2890, + "pk": 1914, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 124, + "sidechain_ASN": 75, "chain": "1TWFA", "sidechain_ASP": null, "a6": 117.002134305417, @@ -239081,11 +167441,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2891, + "next": 1915, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 2889, + "prev": 1913, "terminal_flag": false, "phi": -93.1219657911439, "chainID": "A", @@ -239120,14 +167480,14 @@ } }, { - "pk": 2891, + "pk": 1915, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 177, + "sidechain_ASP": 124, "a6": 116.190446929017, "psi": -25.6627424116156, "oldID": "1204", @@ -239142,11 +167502,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2892, + "next": 1916, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 2890, + "prev": 1914, "terminal_flag": false, "phi": -66.6762139640299, "chainID": "A", @@ -239181,7 +167541,7 @@ } }, { - "pk": 2892, + "pk": 1916, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -239198,16 +167558,16 @@ "protein": "1TWF", "zeta": 34.6990064955167, "sidechain_PHE": null, - "sidechain_LYS": 194, + "sidechain_LYS": 115, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2893, + "next": 1917, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 2891, + "prev": 1915, "terminal_flag": false, "phi": -113.34527207157, "chainID": "A", @@ -239242,14 +167602,14 @@ } }, { - "pk": 2893, + "pk": 1917, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 178, + "sidechain_ASP": 125, "a6": 116.310122829298, "psi": 69.1116258498952, "oldID": "1206", @@ -239264,11 +167624,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2894, + "next": 1918, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 2892, + "prev": 1916, "terminal_flag": false, "phi": 40.4622589796352, "chainID": "A", @@ -239303,7 +167663,7 @@ } }, { - "pk": 2894, + "pk": 1918, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -239325,11 +167685,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2895, + "next": 1919, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 2893, + "prev": 1917, "terminal_flag": false, "phi": -130.290377879215, "chainID": "A", @@ -239356,7 +167716,7 @@ "bs": 68.0, "a2": 110.288573125012, "a5": 121.302908293118, - "sidechain_LEU": 238, + "sidechain_LEU": 178, "chainIndex": 1186, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -239364,7 +167724,7 @@ } }, { - "pk": 2895, + "pk": 1919, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -239384,13 +167744,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 162, + "sidechain_THR": 101, "sidechain_TRP": null, - "next": 2896, + "next": 1920, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 2894, + "prev": 1918, "terminal_flag": false, "phi": -101.424824779747, "chainID": "A", @@ -239425,7 +167785,7 @@ } }, { - "pk": 2896, + "pk": 1920, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -239444,14 +167804,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 74, + "sidechain_MET": 47, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2897, + "next": 1921, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 2895, + "prev": 1919, "terminal_flag": false, "phi": -56.2146598257389, "chainID": "A", @@ -239486,7 +167846,7 @@ } }, { - "pk": 2897, + "pk": 1921, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -239508,11 +167868,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2898, + "next": 1922, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 2896, + "prev": 1920, "terminal_flag": false, "phi": -59.3494800062282, "chainID": "A", @@ -239547,7 +167907,7 @@ } }, { - "pk": 2898, + "pk": 1922, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -239569,15 +167929,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2899, + "next": 1923, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 2897, + "prev": 1921, "terminal_flag": false, "phi": -63.3390985560171, "chainID": "A", - "sidechain_GLN": 115, + "sidechain_GLN": 88, "ome": 179.404678760259, "chi2": -170.43430624428, "chi3": -51.5018341729717, @@ -239608,7 +167968,7 @@ } }, { - "pk": 2899, + "pk": 1923, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -239626,15 +167986,15 @@ "zeta": 35.3603407536392, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 196, + "sidechain_VAL": 144, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2900, + "next": 1924, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 2898, + "prev": 1922, "terminal_flag": false, "phi": -52.3820200424626, "chainID": "A", @@ -239669,7 +168029,7 @@ } }, { - "pk": 2900, + "pk": 1924, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -239691,11 +168051,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2901, + "next": 1925, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 2899, + "prev": 1923, "terminal_flag": false, "phi": -59.4697614419039, "chainID": "A", @@ -239730,7 +168090,7 @@ } }, { - "pk": 2901, + "pk": 1925, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -239752,11 +168112,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2902, + "next": 1926, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 2900, + "prev": 1924, "terminal_flag": false, "phi": -63.2913958970996, "chainID": "A", @@ -239776,7 +168136,7 @@ "L1": 1.32835853930343, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 199, + "sidechain_GLU": 141, "omep": null, "ss": "H", "a3": 112.458682834364, @@ -239791,7 +168151,7 @@ } }, { - "pk": 2902, + "pk": 1926, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -239813,11 +168173,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2903, + "next": 1927, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 2901, + "prev": 1925, "terminal_flag": false, "phi": -80.494906235235, "chainID": "A", @@ -239835,7 +168195,7 @@ "L3": 1.52877284933949, "a7": 123.01680544056, "L1": 1.3272970997804, - "sidechain_ARG": 144, + "sidechain_ARG": 103, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -239852,7 +168212,7 @@ } }, { - "pk": 2903, + "pk": 1927, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -239865,7 +168225,7 @@ "oldID": "1216", "bg": 77.98, "sidechain_CYS": null, - "sidechain_ILE": 168, + "sidechain_ILE": 116, "protein": "1TWF", "zeta": 35.726947779019, "sidechain_PHE": null, @@ -239874,11 +168234,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2904, + "next": 1928, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 2902, + "prev": 1926, "terminal_flag": false, "phi": -60.048552484557, "chainID": "A", @@ -239913,7 +168273,7 @@ } }, { - "pk": 2904, + "pk": 1928, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -239930,16 +168290,16 @@ "protein": "1TWF", "zeta": 34.911463548597, "sidechain_PHE": null, - "sidechain_LYS": 195, + "sidechain_LYS": 116, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2905, + "next": 1929, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 2903, + "prev": 1927, "terminal_flag": false, "phi": -64.1347695355263, "chainID": "A", @@ -239974,7 +168334,7 @@ } }, { - "pk": 2905, + "pk": 1929, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -239996,15 +168356,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2906, + "next": 1930, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 2904, + "prev": 1928, "terminal_flag": false, "phi": -83.5119069515804, "chainID": "A", - "sidechain_GLN": 116, + "sidechain_GLN": 89, "ome": 179.891389492819, "chi2": -175.262923144127, "chi3": -58.0354003715172, @@ -240035,7 +168395,7 @@ } }, { - "pk": 2906, + "pk": 1930, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -240055,13 +168415,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 163, + "sidechain_THR": 102, "sidechain_TRP": null, - "next": 2907, + "next": 1931, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 2905, + "prev": 1929, "terminal_flag": false, "phi": -111.873369307586, "chainID": "A", @@ -240096,7 +168456,7 @@ } }, { - "pk": 2907, + "pk": 1931, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -240112,17 +168472,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.9094264192807, - "sidechain_PHE": 108, + "sidechain_PHE": 75, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2908, + "next": 1932, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 2906, + "prev": 1930, "terminal_flag": false, "phi": -100.370946543195, "chainID": "A", @@ -240157,7 +168517,7 @@ } }, { - "pk": 2908, + "pk": 1932, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -240174,16 +168534,16 @@ "protein": "1TWF", "zeta": 35.5393218071566, "sidechain_PHE": null, - "sidechain_LYS": 196, + "sidechain_LYS": 117, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2909, + "next": 1933, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 2907, + "prev": 1931, "terminal_flag": false, "phi": 60.3108167637707, "chainID": "A", @@ -240218,12 +168578,12 @@ } }, { - "pk": 2909, + "pk": 1933, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 125, + "sidechain_ASN": 76, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.551055431393, @@ -240240,11 +168600,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2910, + "next": 1934, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 2908, + "prev": 1932, "terminal_flag": false, "phi": -75.2344716231602, "chainID": "A", @@ -240279,14 +168639,14 @@ } }, { - "pk": 2910, + "pk": 1934, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 179, + "sidechain_ASP": 126, "a6": 117.559434200059, "psi": -25.016205317531, "oldID": "1223", @@ -240301,11 +168661,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2911, + "next": 1935, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 2909, + "prev": 1933, "terminal_flag": false, "phi": -45.4385168355159, "chainID": "A", @@ -240340,7 +168700,7 @@ } }, { - "pk": 2911, + "pk": 1935, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -240362,11 +168722,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2912, + "next": 1936, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 2910, + "prev": 1934, "terminal_flag": false, "phi": -129.082658692075, "chainID": "A", @@ -240393,7 +168753,7 @@ "bs": 79.0, "a2": 109.756082607237, "a5": 120.803066080816, - "sidechain_LEU": 239, + "sidechain_LEU": 179, "chainIndex": 1203, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -240401,7 +168761,7 @@ } }, { - "pk": 2912, + "pk": 1936, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -240417,17 +168777,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.0965612707107, - "sidechain_PHE": 109, + "sidechain_PHE": 76, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2913, + "next": 1937, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 2911, + "prev": 1935, "terminal_flag": false, "phi": -101.07207773437, "chainID": "A", @@ -240462,7 +168822,7 @@ } }, { - "pk": 2913, + "pk": 1937, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -240480,15 +168840,15 @@ "zeta": 34.6270077977738, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 197, + "sidechain_VAL": 145, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2914, + "next": 1938, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 2912, + "prev": 1936, "terminal_flag": false, "phi": -123.558212069263, "chainID": "A", @@ -240523,7 +168883,7 @@ } }, { - "pk": 2914, + "pk": 1938, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -240536,7 +168896,7 @@ "oldID": "1227", "bg": 66.1, "sidechain_CYS": null, - "sidechain_ILE": 169, + "sidechain_ILE": 117, "protein": "1TWF", "zeta": 35.3267610250036, "sidechain_PHE": null, @@ -240545,11 +168905,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2915, + "next": 1939, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 2913, + "prev": 1937, "terminal_flag": false, "phi": -146.193143044251, "chainID": "A", @@ -240584,7 +168944,7 @@ } }, { - "pk": 2915, + "pk": 1939, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -240605,12 +168965,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 48, - "next": 2916, + "sidechain_TRP": 16, + "next": 1940, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 2914, + "prev": 1938, "terminal_flag": false, "phi": -141.368905950524, "chainID": "A", @@ -240645,7 +169005,7 @@ } }, { - "pk": 2916, + "pk": 1940, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -240667,11 +169027,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2917, - "sidechain_SER": 142, + "next": 1941, + "sidechain_SER": 96, "bm": 66.0, "xpr": false, - "prev": 2915, + "prev": 1939, "terminal_flag": false, "phi": -80.9259515363913, "chainID": "A", @@ -240706,7 +169066,7 @@ } }, { - "pk": 2917, + "pk": 1941, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -240728,11 +169088,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2918, + "next": 1942, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 2916, + "prev": 1940, "terminal_flag": false, "phi": -69.3840045473367, "chainID": "A", @@ -240752,7 +169112,7 @@ "L1": 1.32967210389476, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 200, + "sidechain_GLU": 142, "omep": null, "ss": "-", "a3": 112.836827778101, @@ -240767,14 +169127,14 @@ } }, { - "pk": 2918, + "pk": 1942, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 180, + "sidechain_ASP": 127, "a6": 116.61037039481, "psi": -23.2296542835472, "oldID": "1231", @@ -240789,11 +169149,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2919, + "next": 1943, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 2917, + "prev": 1941, "terminal_flag": false, "phi": -52.7264378110552, "chainID": "A", @@ -240828,12 +169188,12 @@ } }, { - "pk": 2919, + "pk": 1943, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 126, + "sidechain_ASN": 77, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.869327463963, @@ -240850,11 +169210,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2920, + "next": 1944, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 2918, + "prev": 1942, "terminal_flag": false, "phi": -74.6239110075217, "chainID": "A", @@ -240889,14 +169249,14 @@ } }, { - "pk": 2920, + "pk": 1944, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 181, + "sidechain_ASP": 128, "a6": 116.273039241741, "psi": 150.126223743678, "oldID": "1233", @@ -240911,11 +169271,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2921, + "next": 1945, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 2919, + "prev": 1943, "terminal_flag": false, "phi": -56.2679071055867, "chainID": "A", @@ -240950,7 +169310,7 @@ } }, { - "pk": 2921, + "pk": 1945, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -240972,11 +169332,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2922, + "next": 1946, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 2920, + "prev": 1944, "terminal_flag": false, "phi": -68.4260988321903, "chainID": "A", @@ -240996,7 +169356,7 @@ "L1": 1.32799171540346, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 201, + "sidechain_GLU": 143, "omep": null, "ss": "S", "a3": 114.121399746649, @@ -241011,7 +169371,7 @@ } }, { - "pk": 2922, + "pk": 1946, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -241028,16 +169388,16 @@ "protein": "1TWF", "zeta": 34.4435077739026, "sidechain_PHE": null, - "sidechain_LYS": 197, + "sidechain_LYS": 118, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2923, + "next": 1947, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 2921, + "prev": 1945, "terminal_flag": false, "phi": -122.36471033093, "chainID": "A", @@ -241072,7 +169432,7 @@ } }, { - "pk": 2923, + "pk": 1947, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -241094,11 +169454,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2924, + "next": 1948, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 2922, + "prev": 1946, "terminal_flag": false, "phi": -90.0621074284414, "chainID": "A", @@ -241125,7 +169485,7 @@ "bs": 65.0, "a2": 109.625463059971, "a5": 120.876189788549, - "sidechain_LEU": 240, + "sidechain_LEU": 180, "chainIndex": 1215, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -241133,7 +169493,7 @@ } }, { - "pk": 2924, + "pk": 1948, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -241146,7 +169506,7 @@ "oldID": "1237", "bg": 51.94, "sidechain_CYS": null, - "sidechain_ILE": 170, + "sidechain_ILE": 118, "protein": "1TWF", "zeta": 34.9809727253223, "sidechain_PHE": null, @@ -241155,11 +169515,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2925, + "next": 1949, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 2923, + "prev": 1947, "terminal_flag": false, "phi": -121.221221308885, "chainID": "A", @@ -241194,7 +169554,7 @@ } }, { - "pk": 2925, + "pk": 1949, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -241207,7 +169567,7 @@ "oldID": "1238", "bg": 51.5, "sidechain_CYS": null, - "sidechain_ILE": 171, + "sidechain_ILE": 119, "protein": "1TWF", "zeta": 34.5833738015269, "sidechain_PHE": null, @@ -241216,11 +169576,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2926, + "next": 1950, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2924, + "prev": 1948, "terminal_flag": false, "phi": -126.05803560993, "chainID": "A", @@ -241255,7 +169615,7 @@ } }, { - "pk": 2926, + "pk": 1950, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -241277,11 +169637,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2927, + "next": 1951, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 2925, + "prev": 1949, "terminal_flag": false, "phi": -115.688563105219, "chainID": "A", @@ -241299,7 +169659,7 @@ "L3": 1.52185124707344, "a7": 122.637900821525, "L1": 1.3322289394415, - "sidechain_ARG": 145, + "sidechain_ARG": 104, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -241316,7 +169676,7 @@ } }, { - "pk": 2927, + "pk": 1951, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -241328,7 +169688,7 @@ "psi": 146.286791753119, "oldID": "1240", "bg": 56.24, - "sidechain_CYS": 55, + "sidechain_CYS": 37, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3721538298615, @@ -241338,11 +169698,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2928, + "next": 1952, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 2926, + "prev": 1950, "terminal_flag": false, "phi": -125.515147112629, "chainID": "A", @@ -241377,7 +169737,7 @@ } }, { - "pk": 2928, + "pk": 1952, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -241399,11 +169759,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2929, + "next": 1953, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 2927, + "prev": 1951, "terminal_flag": false, "phi": -132.039134092639, "chainID": "A", @@ -241421,7 +169781,7 @@ "L3": 1.52652835238328, "a7": 123.296288002747, "L1": 1.32863583737503, - "sidechain_ARG": 146, + "sidechain_ARG": 105, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -241438,7 +169798,7 @@ } }, { - "pk": 2929, + "pk": 1953, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -241456,15 +169816,15 @@ "zeta": 35.581990263974, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 198, + "sidechain_VAL": 146, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2930, + "next": 1954, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 2928, + "prev": 1952, "terminal_flag": false, "phi": -73.9192005146216, "chainID": "A", @@ -241499,7 +169859,7 @@ } }, { - "pk": 2930, + "pk": 1954, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -241517,7 +169877,7 @@ "zeta": 34.6739726250019, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 199, + "sidechain_VAL": 147, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, @@ -241525,7 +169885,7 @@ "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 2929, + "prev": 1953, "terminal_flag": false, "phi": -147.17539377305, "chainID": "A", @@ -241560,7 +169920,7 @@ } }, { - "pk": 2931, + "pk": 1955, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -241582,7 +169942,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2932, + "next": 1956, "sidechain_SER": null, "bm": 130.0, "xpr": false, @@ -241621,7 +169981,7 @@ } }, { - "pk": 2932, + "pk": 1956, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -241643,11 +170003,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2933, + "next": 1957, "sidechain_SER": null, "bm": 129.0, "xpr": false, - "prev": 2931, + "prev": 1955, "terminal_flag": false, "phi": 61.0856488906649, "chainID": "A", @@ -241667,7 +170027,7 @@ "L1": 1.33161194748757, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 202, + "sidechain_GLU": 144, "omep": null, "ss": "-", "a3": 112.047459994022, @@ -241682,7 +170042,7 @@ } }, { - "pk": 2933, + "pk": 1957, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -241704,11 +170064,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2934, + "next": 1958, "sidechain_SER": null, "bm": 127.0, "xpr": false, - "prev": 2932, + "prev": 1956, "terminal_flag": false, "phi": -74.3372555388533, "chainID": "A", @@ -241728,7 +170088,7 @@ "L1": 1.32901946223566, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 203, + "sidechain_GLU": 145, "omep": null, "ss": "T", "a3": 110.984162255892, @@ -241743,14 +170103,14 @@ } }, { - "pk": 2934, + "pk": 1958, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 182, + "sidechain_ASP": 129, "a6": 116.512420787314, "psi": -58.253993096731, "oldID": "1257", @@ -241765,11 +170125,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2935, + "next": 1959, "sidechain_SER": null, "bm": 122.0, "xpr": false, - "prev": 2933, + "prev": 1957, "terminal_flag": false, "phi": -113.922122566151, "chainID": "A", @@ -241804,7 +170164,7 @@ } }, { - "pk": 2935, + "pk": 1959, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -241826,11 +170186,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2936, + "next": 1960, "sidechain_SER": null, "bm": 115.0, "xpr": false, - "prev": 2934, + "prev": 1958, "terminal_flag": false, "phi": -52.6353768012618, "chainID": "A", @@ -241859,13 +170219,13 @@ "a5": 120.219423496652, "sidechain_LEU": null, "chainIndex": 1227, - "sidechain_HIS": 85, + "sidechain_HIS": 63, "h_bond_energy": 0.0, "a4": 109.575073207335 } }, { - "pk": 2936, + "pk": 1960, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -241884,14 +170244,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 75, + "sidechain_MET": 48, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2937, + "next": 1961, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 2935, + "prev": 1959, "terminal_flag": false, "phi": -52.8945512054755, "chainID": "A", @@ -241926,7 +170286,7 @@ } }, { - "pk": 2937, + "pk": 1961, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -241948,11 +170308,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2938, + "next": 1962, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 2936, + "prev": 1960, "terminal_flag": false, "phi": -56.811740124003, "chainID": "A", @@ -241979,7 +170339,7 @@ "bs": 91.0, "a2": 109.737707899402, "a5": 120.308649952686, - "sidechain_LEU": 241, + "sidechain_LEU": 181, "chainIndex": 1229, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -241987,7 +170347,7 @@ } }, { - "pk": 2938, + "pk": 1962, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -242004,16 +170364,16 @@ "protein": "1TWF", "zeta": 33.936667419192, "sidechain_PHE": null, - "sidechain_LYS": 198, + "sidechain_LYS": 119, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2939, + "next": 1963, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 2937, + "prev": 1961, "terminal_flag": false, "phi": -63.5367475988318, "chainID": "A", @@ -242048,7 +170408,7 @@ } }, { - "pk": 2939, + "pk": 1963, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -242065,16 +170425,16 @@ "protein": "1TWF", "zeta": 35.1909388342976, "sidechain_PHE": null, - "sidechain_LYS": 199, + "sidechain_LYS": 120, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2940, + "next": 1964, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 2938, + "prev": 1962, "terminal_flag": false, "phi": -89.8746709205585, "chainID": "A", @@ -242109,7 +170469,7 @@ } }, { - "pk": 2940, + "pk": 1964, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -242122,7 +170482,7 @@ "oldID": "1263", "bg": 73.29, "sidechain_CYS": null, - "sidechain_ILE": 172, + "sidechain_ILE": 120, "protein": "1TWF", "zeta": 35.1481803716182, "sidechain_PHE": null, @@ -242131,11 +170491,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2941, + "next": 1965, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 2939, + "prev": 1963, "terminal_flag": false, "phi": -55.9579643438266, "chainID": "A", @@ -242170,7 +170530,7 @@ } }, { - "pk": 2941, + "pk": 1965, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -242192,11 +170552,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2942, + "next": 1966, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 2940, + "prev": 1964, "terminal_flag": false, "phi": -60.102597101323, "chainID": "A", @@ -242216,7 +170576,7 @@ "L1": 1.32741806180953, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 204, + "sidechain_GLU": 146, "omep": null, "ss": "H", "a3": 109.407979315194, @@ -242231,12 +170591,12 @@ } }, { - "pk": 2942, + "pk": 1966, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 127, + "sidechain_ASN": 78, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.520222595395, @@ -242253,11 +170613,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2943, + "next": 1967, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 2941, + "prev": 1965, "terminal_flag": false, "phi": -54.7811793151031, "chainID": "A", @@ -242292,7 +170652,7 @@ } }, { - "pk": 2943, + "pk": 1967, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -242312,13 +170672,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 164, + "sidechain_THR": 103, "sidechain_TRP": null, - "next": 2944, + "next": 1968, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 2942, + "prev": 1966, "terminal_flag": false, "phi": -54.6950117113619, "chainID": "A", @@ -242353,7 +170713,7 @@ } }, { - "pk": 2944, + "pk": 1968, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -242372,14 +170732,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 76, + "sidechain_MET": 49, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2945, + "next": 1969, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 2943, + "prev": 1967, "terminal_flag": false, "phi": -66.955270753659, "chainID": "A", @@ -242414,7 +170774,7 @@ } }, { - "pk": 2945, + "pk": 1969, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -242436,11 +170796,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2946, + "next": 1970, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 2944, + "prev": 1968, "terminal_flag": false, "phi": -56.5262552199141, "chainID": "A", @@ -242467,7 +170827,7 @@ "bs": 67.0, "a2": 109.510100328227, "a5": 120.186563859646, - "sidechain_LEU": 242, + "sidechain_LEU": 182, "chainIndex": 1237, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -242475,7 +170835,7 @@ } }, { - "pk": 2946, + "pk": 1970, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -242497,11 +170857,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2947, + "next": 1971, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 2945, + "prev": 1969, "terminal_flag": false, "phi": -114.524465914759, "chainID": "A", @@ -242521,7 +170881,7 @@ "L1": 1.32721635987217, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 205, + "sidechain_GLU": 147, "omep": null, "ss": "I", "a3": 118.528135101455, @@ -242536,12 +170896,12 @@ } }, { - "pk": 2947, + "pk": 1971, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 128, + "sidechain_ASN": 79, "chain": "1TWFA", "sidechain_ASP": null, "a6": 118.704404339146, @@ -242558,11 +170918,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2948, + "next": 1972, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 2946, + "prev": 1970, "terminal_flag": false, "phi": -73.1864139979835, "chainID": "A", @@ -242597,7 +170957,7 @@ } }, { - "pk": 2948, + "pk": 1972, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -242610,7 +170970,7 @@ "oldID": "1271", "bg": 71.26, "sidechain_CYS": null, - "sidechain_ILE": 173, + "sidechain_ILE": 121, "protein": "1TWF", "zeta": 34.4554752310573, "sidechain_PHE": null, @@ -242619,11 +170979,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2949, + "next": 1973, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 2947, + "prev": 1971, "terminal_flag": false, "phi": -84.1243174595606, "chainID": "A", @@ -242658,7 +171018,7 @@ } }, { - "pk": 2949, + "pk": 1973, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -242678,13 +171038,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 165, + "sidechain_THR": 104, "sidechain_TRP": null, - "next": 2950, + "next": 1974, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 2948, + "prev": 1972, "terminal_flag": false, "phi": -100.047054025491, "chainID": "A", @@ -242719,7 +171079,7 @@ } }, { - "pk": 2950, + "pk": 1974, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -242741,11 +171101,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2951, + "next": 1975, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 2949, + "prev": 1973, "terminal_flag": false, "phi": -90.3353610461434, "chainID": "A", @@ -242772,7 +171132,7 @@ "bs": 57.0, "a2": 110.650628605463, "a5": 120.258540483811, - "sidechain_LEU": 243, + "sidechain_LEU": 183, "chainIndex": 1242, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -242780,7 +171140,7 @@ } }, { - "pk": 2951, + "pk": 1975, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -242802,11 +171162,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2952, + "next": 1976, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 2950, + "prev": 1974, "terminal_flag": false, "phi": -161.473566477847, "chainID": "A", @@ -242824,7 +171184,7 @@ "L3": 1.53328100127891, "a7": 122.7202874689, "L1": 1.33708563149944, - "sidechain_ARG": 147, + "sidechain_ARG": 106, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -242841,7 +171201,7 @@ } }, { - "pk": 2952, + "pk": 1976, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -242863,11 +171223,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2953, + "next": 1977, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 2951, + "prev": 1975, "terminal_flag": false, "phi": 107.516040079912, "chainID": "A", @@ -242902,7 +171262,7 @@ } }, { - "pk": 2953, + "pk": 1977, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -242920,15 +171280,15 @@ "zeta": 35.8100326951907, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 200, + "sidechain_VAL": 148, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2954, + "next": 1978, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 2952, + "prev": 1976, "terminal_flag": false, "phi": -107.127432988765, "chainID": "A", @@ -242963,7 +171323,7 @@ } }, { - "pk": 2954, + "pk": 1978, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -242985,11 +171345,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2955, + "next": 1979, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 2953, + "prev": 1977, "terminal_flag": false, "phi": -69.2773972684186, "chainID": "A", @@ -243009,7 +171369,7 @@ "L1": 1.32866390110199, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 206, + "sidechain_GLU": 148, "omep": null, "ss": "T", "a3": 111.689431412196, @@ -243024,12 +171384,12 @@ } }, { - "pk": 2955, + "pk": 1979, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 129, + "sidechain_ASN": 80, "chain": "1TWFA", "sidechain_ASP": null, "a6": 117.750693451825, @@ -243046,11 +171406,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2956, + "next": 1980, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 2954, + "prev": 1978, "terminal_flag": false, "phi": 89.4425770975546, "chainID": "A", @@ -243085,7 +171445,7 @@ } }, { - "pk": 2956, + "pk": 1980, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -243098,7 +171458,7 @@ "oldID": "1279", "bg": 68.23, "sidechain_CYS": null, - "sidechain_ILE": 174, + "sidechain_ILE": 122, "protein": "1TWF", "zeta": 34.2618263534607, "sidechain_PHE": null, @@ -243107,11 +171467,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2957, + "next": 1981, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 2955, + "prev": 1979, "terminal_flag": false, "phi": -100.197500595547, "chainID": "A", @@ -243146,7 +171506,7 @@ } }, { - "pk": 2957, + "pk": 1981, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -243168,11 +171528,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2958, + "next": 1982, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 2956, + "prev": 1980, "terminal_flag": false, "phi": -93.3565053779465, "chainID": "A", @@ -243192,7 +171552,7 @@ "L1": 1.32560922421652, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 207, + "sidechain_GLU": 149, "omep": null, "ss": "-", "a3": 112.633309465413, @@ -243207,7 +171567,7 @@ } }, { - "pk": 2958, + "pk": 1982, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -243229,11 +171589,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2959, + "next": 1983, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 2957, + "prev": 1981, "terminal_flag": false, "phi": -67.1764114855433, "chainID": "A", @@ -243251,7 +171611,7 @@ "L3": 1.53141462149862, "a7": 122.95744847045, "L1": 1.32505908798278, - "sidechain_ARG": 148, + "sidechain_ARG": 107, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -243268,7 +171628,7 @@ } }, { - "pk": 2959, + "pk": 1983, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -243286,15 +171646,15 @@ "zeta": 34.3340972223462, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 201, + "sidechain_VAL": 149, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2960, + "next": 1984, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 2958, + "prev": 1982, "terminal_flag": false, "phi": -146.723184668462, "chainID": "A", @@ -243329,7 +171689,7 @@ } }, { - "pk": 2960, + "pk": 1984, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -243347,15 +171707,15 @@ "zeta": 34.8062798876892, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 202, + "sidechain_VAL": 150, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2961, + "next": 1985, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 2959, + "prev": 1983, "terminal_flag": false, "phi": -107.279071667581, "chainID": "A", @@ -243390,7 +171750,7 @@ } }, { - "pk": 2961, + "pk": 1985, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -243409,14 +171769,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 77, + "sidechain_MET": 50, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2962, + "next": 1986, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 2960, + "prev": 1984, "terminal_flag": false, "phi": -99.9493094131455, "chainID": "A", @@ -243451,7 +171811,7 @@ } }, { - "pk": 2962, + "pk": 1986, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -243470,14 +171830,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 78, + "sidechain_MET": 51, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2963, + "next": 1987, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 2961, + "prev": 1985, "terminal_flag": false, "phi": -141.074668847548, "chainID": "A", @@ -243512,7 +171872,7 @@ } }, { - "pk": 2963, + "pk": 1987, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -243529,16 +171889,16 @@ "protein": "1TWF", "zeta": 33.9515320962806, "sidechain_PHE": null, - "sidechain_LYS": 200, + "sidechain_LYS": 121, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2964, + "next": 1988, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 2962, + "prev": 1986, "terminal_flag": false, "phi": -121.993590778004, "chainID": "A", @@ -243573,7 +171933,7 @@ } }, { - "pk": 2964, + "pk": 1988, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -243595,11 +171955,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2965, + "next": 1989, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 2963, + "prev": 1987, "terminal_flag": false, "phi": -95.9819799381205, "chainID": "A", @@ -243618,7 +171978,7 @@ "a7": 122.524664150741, "L1": 1.33120249594792, "sidechain_ARG": null, - "sidechain_TYR": 87, + "sidechain_TYR": 44, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -243634,14 +171994,14 @@ } }, { - "pk": 2965, + "pk": 1989, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 183, + "sidechain_ASP": 130, "a6": 116.595822329808, "psi": 134.199782545924, "oldID": "1288", @@ -243656,11 +172016,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2966, + "next": 1990, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 2964, + "prev": 1988, "terminal_flag": false, "phi": -86.2669989264031, "chainID": "A", @@ -243695,7 +172055,7 @@ } }, { - "pk": 2966, + "pk": 1990, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -243717,11 +172077,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2967, + "next": 1991, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2965, + "prev": 1989, "terminal_flag": false, "phi": -119.169291504348, "chainID": "A", @@ -243739,7 +172099,7 @@ "L3": 1.52677539346166, "a7": 123.12064368902, "L1": 1.32718273565382, - "sidechain_ARG": 149, + "sidechain_ARG": 108, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -243756,7 +172116,7 @@ } }, { - "pk": 2967, + "pk": 1991, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -243773,16 +172133,16 @@ "protein": "1TWF", "zeta": 35.7695447229863, "sidechain_PHE": null, - "sidechain_LYS": 201, + "sidechain_LYS": 122, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2968, + "next": 1992, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2966, + "prev": 1990, "terminal_flag": false, "phi": -73.0448773162198, "chainID": "A", @@ -243817,7 +172177,7 @@ } }, { - "pk": 2968, + "pk": 1992, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -243835,15 +172195,15 @@ "zeta": 34.4192257147423, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 203, + "sidechain_VAL": 151, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2969, + "next": 1993, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 2967, + "prev": 1991, "terminal_flag": false, "phi": -129.765133751008, "chainID": "A", @@ -243878,11 +172238,11 @@ } }, { - "pk": 2969, + "pk": 1993, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 159, + "sidechain_PRO": 103, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -243900,11 +172260,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2970, + "next": 1994, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2968, + "prev": 1992, "terminal_flag": false, "phi": -74.2768007325321, "chainID": "A", @@ -243939,7 +172299,7 @@ } }, { - "pk": 2970, + "pk": 1994, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -243961,11 +172321,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2971, - "sidechain_SER": 143, + "next": 1995, + "sidechain_SER": 97, "bm": 48.0, "xpr": false, - "prev": 2969, + "prev": 1993, "terminal_flag": false, "phi": -79.0122775627783, "chainID": "A", @@ -244000,11 +172360,11 @@ } }, { - "pk": 2971, + "pk": 1995, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 160, + "sidechain_PRO": 104, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -244022,11 +172382,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2972, + "next": 1996, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2970, + "prev": 1994, "terminal_flag": false, "phi": -52.8592385241763, "chainID": "A", @@ -244061,7 +172421,7 @@ } }, { - "pk": 2972, + "pk": 1996, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -244081,13 +172441,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 166, + "sidechain_THR": 105, "sidechain_TRP": null, - "next": 2973, + "next": 1997, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 2971, + "prev": 1995, "terminal_flag": false, "phi": -84.901998272065, "chainID": "A", @@ -244122,7 +172482,7 @@ } }, { - "pk": 2973, + "pk": 1997, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -244144,11 +172504,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2974, + "next": 1998, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2972, + "prev": 1996, "terminal_flag": false, "phi": 113.870569327737, "chainID": "A", @@ -244183,7 +172543,7 @@ } }, { - "pk": 2974, + "pk": 1998, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -244205,11 +172565,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2975, + "next": 1999, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2973, + "prev": 1997, "terminal_flag": false, "phi": -68.7559457167803, "chainID": "A", @@ -244229,7 +172589,7 @@ "L1": 1.32534123486476, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 208, + "sidechain_GLU": 150, "omep": null, "ss": "S", "a3": 112.967381756319, @@ -244244,7 +172604,7 @@ } }, { - "pk": 2975, + "pk": 1999, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -244266,11 +172626,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2976, + "next": 2000, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 2974, + "prev": 1998, "terminal_flag": false, "phi": -66.9728657781865, "chainID": "A", @@ -244289,7 +172649,7 @@ "a7": 123.107190913917, "L1": 1.33549952305488, "sidechain_ARG": null, - "sidechain_TYR": 88, + "sidechain_TYR": 45, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -244305,7 +172665,7 @@ } }, { - "pk": 2976, + "pk": 2000, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -244323,15 +172683,15 @@ "zeta": 35.7106181933251, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 204, + "sidechain_VAL": 152, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2977, + "next": 2001, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 2975, + "prev": 1999, "terminal_flag": false, "phi": -138.078414354413, "chainID": "A", @@ -244366,7 +172726,7 @@ } }, { - "pk": 2977, + "pk": 2001, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -244383,16 +172743,16 @@ "protein": "1TWF", "zeta": 34.8416694876713, "sidechain_PHE": null, - "sidechain_LYS": 202, + "sidechain_LYS": 123, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2978, + "next": 2002, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 2976, + "prev": 2000, "terminal_flag": false, "phi": -80.3069866176858, "chainID": "A", @@ -244427,7 +172787,7 @@ } }, { - "pk": 2978, + "pk": 2002, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -244449,11 +172809,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2979, + "next": 2003, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 2977, + "prev": 2001, "terminal_flag": false, "phi": -128.056637467855, "chainID": "A", @@ -244473,7 +172833,7 @@ "L1": 1.32875014552273, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 209, + "sidechain_GLU": 151, "omep": null, "ss": "E", "a3": 107.122309037375, @@ -244488,11 +172848,11 @@ } }, { - "pk": 2979, + "pk": 2003, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 161, + "sidechain_PRO": 105, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -244510,11 +172870,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2980, + "next": 2004, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 2978, + "prev": 2002, "terminal_flag": false, "phi": -62.5577009010952, "chainID": "A", @@ -244549,7 +172909,7 @@ } }, { - "pk": 2980, + "pk": 2004, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -244571,11 +172931,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2981, + "next": 2005, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2979, + "prev": 2003, "terminal_flag": false, "phi": -145.843122251573, "chainID": "A", @@ -244595,7 +172955,7 @@ "L1": 1.32691761820497, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 210, + "sidechain_GLU": 152, "omep": null, "ss": "E", "a3": 108.158327559128, @@ -244610,7 +172970,7 @@ } }, { - "pk": 2981, + "pk": 2005, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -244631,12 +172991,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 49, - "next": 2982, + "sidechain_TRP": 17, + "next": 2006, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2980, + "prev": 2004, "terminal_flag": false, "phi": -79.3020789083779, "chainID": "A", @@ -244671,7 +173031,7 @@ } }, { - "pk": 2982, + "pk": 2006, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -244689,15 +173049,15 @@ "zeta": 35.3050762829922, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 205, + "sidechain_VAL": 153, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2983, + "next": 2007, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 2981, + "prev": 2005, "terminal_flag": false, "phi": -132.988671083513, "chainID": "A", @@ -244732,7 +173092,7 @@ } }, { - "pk": 2983, + "pk": 2007, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -244754,11 +173114,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2984, + "next": 2008, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2982, + "prev": 2006, "terminal_flag": false, "phi": -116.233317359046, "chainID": "A", @@ -244785,7 +173145,7 @@ "bs": 41.0, "a2": 108.970981518794, "a5": 120.39657304025, - "sidechain_LEU": 244, + "sidechain_LEU": 184, "chainIndex": 1275, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -244793,7 +173153,7 @@ } }, { - "pk": 2984, + "pk": 2008, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -244815,11 +173175,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2985, + "next": 2009, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2983, + "prev": 2007, "terminal_flag": false, "phi": -104.026645552243, "chainID": "A", @@ -244839,7 +173199,7 @@ "L1": 1.3260537021276, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 211, + "sidechain_GLU": 153, "omep": null, "ss": "E", "a3": 108.756217222374, @@ -244854,7 +173214,7 @@ } }, { - "pk": 2985, + "pk": 2009, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -244874,13 +173234,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 167, + "sidechain_THR": 106, "sidechain_TRP": null, - "next": 2986, + "next": 2010, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 2984, + "prev": 2008, "terminal_flag": false, "phi": -117.965309990751, "chainID": "A", @@ -244915,14 +173275,14 @@ } }, { - "pk": 2986, + "pk": 2010, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 184, + "sidechain_ASP": 131, "a6": 116.131631591716, "psi": 105.609991574843, "oldID": "1309", @@ -244937,11 +173297,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2987, + "next": 2011, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 2985, + "prev": 2009, "terminal_flag": false, "phi": -99.8616013314453, "chainID": "A", @@ -244976,7 +173336,7 @@ } }, { - "pk": 2987, + "pk": 2011, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -244998,11 +173358,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2988, + "next": 2012, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 2986, + "prev": 2010, "terminal_flag": false, "phi": 118.231407311854, "chainID": "A", @@ -245037,7 +173397,7 @@ } }, { - "pk": 2988, + "pk": 2012, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -245055,15 +173415,15 @@ "zeta": 35.3428507202077, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 206, + "sidechain_VAL": 154, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2989, + "next": 2013, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2987, + "prev": 2011, "terminal_flag": false, "phi": -139.571585464623, "chainID": "A", @@ -245098,12 +173458,12 @@ } }, { - "pk": 2989, + "pk": 2013, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 130, + "sidechain_ASN": 81, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.237026308839, @@ -245120,11 +173480,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2990, + "next": 2014, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 2988, + "prev": 2012, "terminal_flag": false, "phi": -153.56225321029, "chainID": "A", @@ -245159,7 +173519,7 @@ } }, { - "pk": 2990, + "pk": 2014, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -245181,11 +173541,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2991, + "next": 2015, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2989, + "prev": 2013, "terminal_flag": false, "phi": -44.4317454857654, "chainID": "A", @@ -245212,7 +173572,7 @@ "bs": 32.0, "a2": 109.848964429086, "a5": 120.594574951131, - "sidechain_LEU": 245, + "sidechain_LEU": 185, "chainIndex": 1282, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -245220,7 +173580,7 @@ } }, { - "pk": 2991, + "pk": 2015, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -245242,11 +173602,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2992, - "sidechain_SER": 144, + "next": 2016, + "sidechain_SER": 98, "bm": 44.0, "xpr": false, - "prev": 2990, + "prev": 2014, "terminal_flag": false, "phi": -46.734291982525, "chainID": "A", @@ -245281,7 +173641,7 @@ } }, { - "pk": 2992, + "pk": 2016, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -245303,11 +173663,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2993, + "next": 2017, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2991, + "prev": 2015, "terminal_flag": false, "phi": -93.9749270829396, "chainID": "A", @@ -245327,7 +173687,7 @@ "L1": 1.32815488247988, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 212, + "sidechain_GLU": 154, "omep": null, "ss": "H", "a3": 116.30170876697, @@ -245342,7 +173702,7 @@ } }, { - "pk": 2993, + "pk": 2017, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -245360,15 +173720,15 @@ "zeta": 34.6601665163189, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 207, + "sidechain_VAL": 155, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2994, + "next": 2018, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 2992, + "prev": 2016, "terminal_flag": false, "phi": -59.4347360860885, "chainID": "A", @@ -245403,7 +173763,7 @@ } }, { - "pk": 2994, + "pk": 2018, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -245422,14 +173782,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 79, + "sidechain_MET": 52, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2995, + "next": 2019, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 2993, + "prev": 2017, "terminal_flag": false, "phi": -54.7516948778634, "chainID": "A", @@ -245464,7 +173824,7 @@ } }, { - "pk": 2995, + "pk": 2019, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -245484,13 +173844,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 168, + "sidechain_THR": 107, "sidechain_TRP": null, - "next": 2996, + "next": 2020, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 2994, + "prev": 2018, "terminal_flag": false, "phi": -78.2735068124667, "chainID": "A", @@ -245525,7 +173885,7 @@ } }, { - "pk": 2996, + "pk": 2020, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -245543,15 +173903,15 @@ "zeta": 34.7512296833386, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 208, + "sidechain_VAL": 156, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2997, + "next": 2021, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 2995, + "prev": 2019, "terminal_flag": false, "phi": -60.5985796196696, "chainID": "A", @@ -245586,11 +173946,11 @@ } }, { - "pk": 2997, + "pk": 2021, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 162, + "sidechain_PRO": 106, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -245608,11 +173968,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2998, + "next": 2022, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2996, + "prev": 2020, "terminal_flag": false, "phi": -74.3854384272423, "chainID": "A", @@ -245647,7 +174007,7 @@ } }, { - "pk": 2998, + "pk": 2022, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -245669,11 +174029,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 2999, + "next": 2023, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 2997, + "prev": 2021, "terminal_flag": false, "phi": 90.4863741355932, "chainID": "A", @@ -245708,7 +174068,7 @@ } }, { - "pk": 2999, + "pk": 2023, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -245721,7 +174081,7 @@ "oldID": "1322", "bg": 38.6, "sidechain_CYS": null, - "sidechain_ILE": 175, + "sidechain_ILE": 123, "protein": "1TWF", "zeta": 35.2673114802656, "sidechain_PHE": null, @@ -245730,11 +174090,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3000, + "next": 2024, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 2998, + "prev": 2022, "terminal_flag": false, "phi": -99.8554974562156, "chainID": "A", @@ -245769,14 +174129,14 @@ } }, { - "pk": 3000, + "pk": 2024, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 185, + "sidechain_ASP": 132, "a6": 117.863204396887, "psi": 91.6914936960969, "oldID": "1323", @@ -245791,11 +174151,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3001, + "next": 2025, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 2999, + "prev": 2023, "terminal_flag": false, "phi": -112.107019044529, "chainID": "A", @@ -245830,11 +174190,11 @@ } }, { - "pk": 3001, + "pk": 2025, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 163, + "sidechain_PRO": 107, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -245852,11 +174212,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3002, + "next": 2026, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3000, + "prev": 2024, "terminal_flag": false, "phi": -57.6559315788942, "chainID": "A", @@ -245891,7 +174251,7 @@ } }, { - "pk": 3002, + "pk": 2026, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -245911,13 +174271,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 169, + "sidechain_THR": 108, "sidechain_TRP": null, - "next": 3003, + "next": 2027, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3001, + "prev": 2025, "terminal_flag": false, "phi": -65.0244373148213, "chainID": "A", @@ -245952,7 +174312,7 @@ } }, { - "pk": 3003, + "pk": 2027, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -245974,11 +174334,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3004, + "next": 2028, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3002, + "prev": 2026, "terminal_flag": false, "phi": -114.996398543433, "chainID": "A", @@ -245996,7 +174356,7 @@ "L3": 1.52747317554511, "a7": 122.184228162178, "L1": 1.32426561976208, - "sidechain_ARG": 150, + "sidechain_ARG": 109, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -246013,7 +174373,7 @@ } }, { - "pk": 3004, + "pk": 2028, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -246026,7 +174386,7 @@ "oldID": "1327", "bg": 28.81, "sidechain_CYS": null, - "sidechain_ILE": 176, + "sidechain_ILE": 124, "protein": "1TWF", "zeta": 33.9066248144588, "sidechain_PHE": null, @@ -246035,11 +174395,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3005, + "next": 2029, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3003, + "prev": 2027, "terminal_flag": false, "phi": -59.8184861202742, "chainID": "A", @@ -246074,7 +174434,7 @@ } }, { - "pk": 3005, + "pk": 2029, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -246096,11 +174456,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3006, + "next": 2030, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3004, + "prev": 2028, "terminal_flag": false, "phi": -157.262876876455, "chainID": "A", @@ -246119,7 +174479,7 @@ "a7": 122.996993622039, "L1": 1.33229212108608, "sidechain_ARG": null, - "sidechain_TYR": 89, + "sidechain_TYR": 46, "sidechain_GLU": null, "omep": null, "ss": "B", @@ -246135,7 +174495,7 @@ } }, { - "pk": 3006, + "pk": 2030, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -246155,13 +174515,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 170, + "sidechain_THR": 109, "sidechain_TRP": null, - "next": 3007, + "next": 2031, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3005, + "prev": 2029, "terminal_flag": false, "phi": -157.260683521515, "chainID": "A", @@ -246196,12 +174556,12 @@ } }, { - "pk": 3007, + "pk": 2031, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 131, + "sidechain_ASN": 82, "chain": "1TWFA", "sidechain_ASP": null, "a6": 117.161018326397, @@ -246218,11 +174578,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3008, + "next": 2032, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3006, + "prev": 2030, "terminal_flag": false, "phi": -72.5376086739482, "chainID": "A", @@ -246257,7 +174617,7 @@ } }, { - "pk": 3008, + "pk": 2032, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -246279,11 +174639,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3009, - "sidechain_SER": 145, + "next": 2033, + "sidechain_SER": 99, "bm": 31.0, "xpr": false, - "prev": 3007, + "prev": 2031, "terminal_flag": false, "phi": -91.4996790137783, "chainID": "A", @@ -246318,7 +174678,7 @@ } }, { - "pk": 3009, + "pk": 2033, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -246334,17 +174694,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 32.5214846336403, - "sidechain_PHE": 110, + "sidechain_PHE": 77, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3010, + "next": 2034, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3008, + "prev": 2032, "terminal_flag": false, "phi": -61.3932561580629, "chainID": "A", @@ -246379,7 +174739,7 @@ } }, { - "pk": 3010, + "pk": 2034, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -246392,7 +174752,7 @@ "oldID": "1333", "bg": 36.31, "sidechain_CYS": null, - "sidechain_ILE": 177, + "sidechain_ILE": 125, "protein": "1TWF", "zeta": 33.6488435226737, "sidechain_PHE": null, @@ -246401,11 +174761,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3011, + "next": 2035, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3009, + "prev": 2033, "terminal_flag": false, "phi": -55.2502963994638, "chainID": "A", @@ -246440,14 +174800,14 @@ } }, { - "pk": 3011, + "pk": 2035, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 186, + "sidechain_ASP": 133, "a6": 116.716779196435, "psi": -36.8812161266792, "oldID": "1334", @@ -246462,11 +174822,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3012, + "next": 2036, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3010, + "prev": 2034, "terminal_flag": false, "phi": -69.4434145313772, "chainID": "A", @@ -246501,7 +174861,7 @@ } }, { - "pk": 3012, + "pk": 2036, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -246514,7 +174874,7 @@ "oldID": "1335", "bg": 33.22, "sidechain_CYS": null, - "sidechain_ILE": 178, + "sidechain_ILE": 126, "protein": "1TWF", "zeta": 34.1188954022428, "sidechain_PHE": null, @@ -246523,11 +174883,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3013, + "next": 2037, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3011, + "prev": 2035, "terminal_flag": false, "phi": -61.3384170426391, "chainID": "A", @@ -246562,7 +174922,7 @@ } }, { - "pk": 3013, + "pk": 2037, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -246581,14 +174941,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 80, + "sidechain_MET": 53, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3014, + "next": 2038, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3012, + "prev": 2036, "terminal_flag": false, "phi": -67.8760799797413, "chainID": "A", @@ -246623,7 +174983,7 @@ } }, { - "pk": 3014, + "pk": 2038, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -246645,11 +175005,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3015, + "next": 2039, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3013, + "prev": 2037, "terminal_flag": false, "phi": -67.3629906132347, "chainID": "A", @@ -246669,7 +175029,7 @@ "L1": 1.32957084100553, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 213, + "sidechain_GLU": 155, "omep": null, "ss": "H", "a3": 113.8958199707, @@ -246684,7 +175044,7 @@ } }, { - "pk": 3015, + "pk": 2039, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -246702,15 +175062,15 @@ "zeta": 34.5764388373055, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 209, + "sidechain_VAL": 157, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3016, + "next": 2040, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3014, + "prev": 2038, "terminal_flag": false, "phi": -102.332762655007, "chainID": "A", @@ -246745,7 +175105,7 @@ } }, { - "pk": 3016, + "pk": 2040, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -246767,11 +175127,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3017, + "next": 2041, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 3015, + "prev": 2039, "terminal_flag": false, "phi": -106.86532659203, "chainID": "A", @@ -246798,7 +175158,7 @@ "bs": 31.0, "a2": 109.737654184519, "a5": 120.50713611147, - "sidechain_LEU": 246, + "sidechain_LEU": 186, "chainIndex": 1308, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -246806,7 +175166,7 @@ } }, { - "pk": 3017, + "pk": 2041, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -246828,11 +175188,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3018, + "next": 2042, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 3016, + "prev": 2040, "terminal_flag": false, "phi": 97.9864801522795, "chainID": "A", @@ -246867,7 +175227,7 @@ } }, { - "pk": 3018, + "pk": 2042, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -246880,7 +175240,7 @@ "oldID": "1341", "bg": 25.42, "sidechain_CYS": null, - "sidechain_ILE": 179, + "sidechain_ILE": 127, "protein": "1TWF", "zeta": 33.6262296120034, "sidechain_PHE": null, @@ -246889,11 +175249,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3019, + "next": 2043, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3017, + "prev": 2041, "terminal_flag": false, "phi": -51.602803916504, "chainID": "A", @@ -246928,7 +175288,7 @@ } }, { - "pk": 3019, + "pk": 2043, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -246950,11 +175310,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3020, + "next": 2044, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 3018, + "prev": 2042, "terminal_flag": false, "phi": -54.5850957423397, "chainID": "A", @@ -246974,7 +175334,7 @@ "L1": 1.3359092772566, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 214, + "sidechain_GLU": 156, "omep": null, "ss": "H", "a3": 109.928921274365, @@ -246989,7 +175349,7 @@ } }, { - "pk": 3020, + "pk": 2044, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -247011,11 +175371,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3021, + "next": 2045, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 3019, + "prev": 2043, "terminal_flag": false, "phi": -62.1978963536565, "chainID": "A", @@ -247050,7 +175410,7 @@ } }, { - "pk": 3021, + "pk": 2045, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -247072,11 +175432,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3022, + "next": 2046, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 3020, + "prev": 2044, "terminal_flag": false, "phi": -53.930954994263, "chainID": "A", @@ -247111,7 +175471,7 @@ } }, { - "pk": 3022, + "pk": 2046, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -247133,11 +175493,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3023, + "next": 2047, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3021, + "prev": 2045, "terminal_flag": false, "phi": -57.1627629542297, "chainID": "A", @@ -247155,7 +175515,7 @@ "L3": 1.52944781271748, "a7": 123.089155604128, "L1": 1.33249070697619, - "sidechain_ARG": 151, + "sidechain_ARG": 110, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -247172,7 +175532,7 @@ } }, { - "pk": 3023, + "pk": 2047, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -247194,11 +175554,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3024, + "next": 2048, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 3022, + "prev": 2046, "terminal_flag": false, "phi": -63.0558763832689, "chainID": "A", @@ -247233,7 +175593,7 @@ } }, { - "pk": 3024, + "pk": 2048, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -247255,11 +175615,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3025, + "next": 2049, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3023, + "prev": 2047, "terminal_flag": false, "phi": -70.2276140920306, "chainID": "A", @@ -247294,7 +175654,7 @@ } }, { - "pk": 3025, + "pk": 2049, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -247316,11 +175676,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3026, + "next": 2050, "sidechain_SER": null, "bm": 21.0, "xpr": false, - "prev": 3024, + "prev": 2048, "terminal_flag": false, "phi": -54.0292236083607, "chainID": "A", @@ -247347,7 +175707,7 @@ "bs": 20.0, "a2": 110.842215732803, "a5": 120.669481616935, - "sidechain_LEU": 247, + "sidechain_LEU": 187, "chainIndex": 1317, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -247355,7 +175715,7 @@ } }, { - "pk": 3026, + "pk": 2050, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -247377,11 +175737,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3027, + "next": 2051, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 3025, + "prev": 2049, "terminal_flag": false, "phi": -73.9365149614649, "chainID": "A", @@ -247400,7 +175760,7 @@ "a7": 123.755127147616, "L1": 1.33250376792326, "sidechain_ARG": null, - "sidechain_TYR": 90, + "sidechain_TYR": 47, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -247416,7 +175776,7 @@ } }, { - "pk": 3027, + "pk": 2051, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -247433,16 +175793,16 @@ "protein": "1TWF", "zeta": 34.3691641242828, "sidechain_PHE": null, - "sidechain_LYS": 203, + "sidechain_LYS": 124, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3028, + "next": 2052, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 3026, + "prev": 2050, "terminal_flag": false, "phi": -53.185067745479, "chainID": "A", @@ -247477,7 +175837,7 @@ } }, { - "pk": 3028, + "pk": 2052, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -247499,11 +175859,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3029, + "next": 2053, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3027, + "prev": 2051, "terminal_flag": false, "phi": -65.320147749854, "chainID": "A", @@ -247523,7 +175883,7 @@ "L1": 1.33125027574229, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 215, + "sidechain_GLU": 157, "omep": null, "ss": "H", "a3": 112.265411611946, @@ -247538,7 +175898,7 @@ } }, { - "pk": 3029, + "pk": 2053, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -247556,15 +175916,15 @@ "zeta": 34.5649366798985, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 210, + "sidechain_VAL": 158, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3030, + "next": 2054, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3028, + "prev": 2052, "terminal_flag": false, "phi": -60.9777360194812, "chainID": "A", @@ -247599,7 +175959,7 @@ } }, { - "pk": 3030, + "pk": 2054, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -247621,11 +175981,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3031, + "next": 2055, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3029, + "prev": 2053, "terminal_flag": false, "phi": -52.5081325900294, "chainID": "A", @@ -247644,7 +176004,7 @@ "a7": 122.268231240763, "L1": 1.33206841260618, "sidechain_ARG": null, - "sidechain_TYR": 91, + "sidechain_TYR": 48, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -247660,12 +176020,12 @@ } }, { - "pk": 3031, + "pk": 2055, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 132, + "sidechain_ASN": 83, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.165527377414, @@ -247682,11 +176042,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3032, + "next": 2056, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3030, + "prev": 2054, "terminal_flag": false, "phi": -63.1115235885185, "chainID": "A", @@ -247721,7 +176081,7 @@ } }, { - "pk": 3032, + "pk": 2056, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -247739,15 +176099,15 @@ "zeta": 34.7027373372023, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 211, + "sidechain_VAL": 159, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3033, + "next": 2057, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3031, + "prev": 2055, "terminal_flag": false, "phi": -57.7628763021409, "chainID": "A", @@ -247782,7 +176142,7 @@ } }, { - "pk": 3033, + "pk": 2057, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -247795,7 +176155,7 @@ "oldID": "1356", "bg": 52.81, "sidechain_CYS": null, - "sidechain_ILE": 180, + "sidechain_ILE": 128, "protein": "1TWF", "zeta": 34.4492354952273, "sidechain_PHE": null, @@ -247804,11 +176164,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3034, + "next": 2058, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3032, + "prev": 2056, "terminal_flag": false, "phi": -89.9031486888457, "chainID": "A", @@ -247843,7 +176203,7 @@ } }, { - "pk": 3034, + "pk": 2058, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -247865,11 +176225,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3035, + "next": 2059, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3033, + "prev": 2057, "terminal_flag": false, "phi": -67.6675065963381, "chainID": "A", @@ -247904,7 +176264,7 @@ } }, { - "pk": 3035, + "pk": 2059, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -247926,11 +176286,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3036, - "sidechain_SER": 146, + "next": 2060, + "sidechain_SER": 100, "bm": 74.0, "xpr": false, - "prev": 3034, + "prev": 2058, "terminal_flag": false, "phi": -61.9780176835536, "chainID": "A", @@ -247965,14 +176325,14 @@ } }, { - "pk": 3036, + "pk": 2060, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 187, + "sidechain_ASP": 134, "a6": 116.142352850811, "psi": 15.9428771104941, "oldID": "1359", @@ -247987,11 +176347,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3037, + "next": 2061, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 3035, + "prev": 2059, "terminal_flag": false, "phi": -95.5482762436799, "chainID": "A", @@ -248026,7 +176386,7 @@ } }, { - "pk": 3037, + "pk": 2061, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -248048,11 +176408,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3038, + "next": 2062, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 3036, + "prev": 2060, "terminal_flag": false, "phi": 71.5002529698576, "chainID": "A", @@ -248087,7 +176447,7 @@ } }, { - "pk": 3038, + "pk": 2062, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -248109,11 +176469,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3039, - "sidechain_SER": 147, + "next": 2063, + "sidechain_SER": 101, "bm": 59.0, "xpr": false, - "prev": 3037, + "prev": 2061, "terminal_flag": false, "phi": -77.3679925321058, "chainID": "A", @@ -248148,7 +176508,7 @@ } }, { - "pk": 3039, + "pk": 2063, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -248170,11 +176530,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3040, + "next": 2064, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3038, + "prev": 2062, "terminal_flag": false, "phi": -135.691395763652, "chainID": "A", @@ -248193,7 +176553,7 @@ "a7": 123.008893198849, "L1": 1.32247139981873, "sidechain_ARG": null, - "sidechain_TYR": 92, + "sidechain_TYR": 49, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -248209,7 +176569,7 @@ } }, { - "pk": 3040, + "pk": 2064, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -248227,15 +176587,15 @@ "zeta": 35.4445776985846, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 212, + "sidechain_VAL": 160, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3041, + "next": 2065, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 3039, + "prev": 2063, "terminal_flag": false, "phi": -140.435340602796, "chainID": "A", @@ -248270,12 +176630,12 @@ } }, { - "pk": 3041, + "pk": 2065, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 133, + "sidechain_ASN": 84, "chain": "1TWFA", "sidechain_ASP": null, "a6": 113.860710190461, @@ -248292,11 +176652,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3042, + "next": 2066, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 3040, + "prev": 2064, "terminal_flag": false, "phi": -55.5327616770686, "chainID": "A", @@ -248331,7 +176691,7 @@ } }, { - "pk": 3042, + "pk": 2066, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -248353,11 +176713,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3043, + "next": 2067, "sidechain_SER": null, "bm": 17.0, "xpr": false, - "prev": 3041, + "prev": 2065, "terminal_flag": false, "phi": -48.6614528528017, "chainID": "A", @@ -248376,7 +176736,7 @@ "a7": 123.741861341697, "L1": 1.32307196532675, "sidechain_ARG": null, - "sidechain_TYR": 93, + "sidechain_TYR": 50, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -248392,7 +176752,7 @@ } }, { - "pk": 3043, + "pk": 2067, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -248414,11 +176774,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3044, + "next": 2068, "sidechain_SER": null, "bm": 17.0, "xpr": false, - "prev": 3042, + "prev": 2066, "terminal_flag": false, "phi": -52.3744897292433, "chainID": "A", @@ -248436,7 +176796,7 @@ "L3": 1.54785410660559, "a7": 121.685121485808, "L1": 1.33427355213995, - "sidechain_ARG": 152, + "sidechain_ARG": 111, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -248453,7 +176813,7 @@ } }, { - "pk": 3044, + "pk": 2068, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -248475,11 +176835,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3045, + "next": 2069, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 3043, + "prev": 2067, "terminal_flag": false, "phi": -71.0514751000892, "chainID": "A", @@ -248508,13 +176868,13 @@ "a5": 119.924387027048, "sidechain_LEU": null, "chainIndex": 1336, - "sidechain_HIS": 86, + "sidechain_HIS": 64, "h_bond_energy": 0.0, "a4": 107.658901833137 } }, { - "pk": 3045, + "pk": 2069, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -248533,14 +176893,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 81, + "sidechain_MET": 54, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3046, + "next": 2070, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 3044, + "prev": 2068, "terminal_flag": false, "phi": -79.2438852832832, "chainID": "A", @@ -248575,7 +176935,7 @@ } }, { - "pk": 3046, + "pk": 2070, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -248597,11 +176957,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3047, + "next": 2071, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3045, + "prev": 2069, "terminal_flag": false, "phi": -68.5341370621451, "chainID": "A", @@ -248636,7 +176996,7 @@ } }, { - "pk": 3047, + "pk": 2071, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -248658,11 +177018,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3048, + "next": 2072, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 3046, + "prev": 2070, "terminal_flag": false, "phi": -61.2186009121695, "chainID": "A", @@ -248689,7 +177049,7 @@ "bs": 21.0, "a2": 110.671947328353, "a5": 120.606547594216, - "sidechain_LEU": 248, + "sidechain_LEU": 188, "chainIndex": 1339, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -248697,7 +177057,7 @@ } }, { - "pk": 3048, + "pk": 2072, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -248719,11 +177079,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3049, + "next": 2073, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 3047, + "prev": 2071, "terminal_flag": false, "phi": -59.1046644647441, "chainID": "A", @@ -248750,7 +177110,7 @@ "bs": 18.0, "a2": 110.635435852032, "a5": 121.56094028437, - "sidechain_LEU": 249, + "sidechain_LEU": 189, "chainIndex": 1340, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -248758,7 +177118,7 @@ } }, { - "pk": 3049, + "pk": 2073, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -248776,15 +177136,15 @@ "zeta": 33.5153329289326, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 213, + "sidechain_VAL": 161, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3050, + "next": 2074, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 3048, + "prev": 2072, "terminal_flag": false, "phi": -66.2923322232231, "chainID": "A", @@ -248819,14 +177179,14 @@ } }, { - "pk": 3050, + "pk": 2074, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 188, + "sidechain_ASP": 135, "a6": 116.559452479361, "psi": -44.2818821986392, "oldID": "1373", @@ -248841,11 +177201,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3051, + "next": 2075, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3049, + "prev": 2073, "terminal_flag": false, "phi": -68.1783432194047, "chainID": "A", @@ -248880,7 +177240,7 @@ } }, { - "pk": 3051, + "pk": 2075, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -248898,15 +177258,15 @@ "zeta": 34.5356033700825, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 214, + "sidechain_VAL": 162, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3052, + "next": 2076, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 3050, + "prev": 2074, "terminal_flag": false, "phi": -58.539830883901, "chainID": "A", @@ -248941,7 +177301,7 @@ } }, { - "pk": 3052, + "pk": 2076, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -248960,14 +177320,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 82, + "sidechain_MET": 55, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3053, + "next": 2077, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3051, + "prev": 2075, "terminal_flag": false, "phi": -65.7064402684243, "chainID": "A", @@ -249002,7 +177362,7 @@ } }, { - "pk": 3053, + "pk": 2077, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -249022,13 +177382,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 171, + "sidechain_THR": 110, "sidechain_TRP": null, - "next": 3054, + "next": 2078, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3052, + "prev": 2076, "terminal_flag": false, "phi": -118.356898700058, "chainID": "A", @@ -249063,7 +177423,7 @@ } }, { - "pk": 3054, + "pk": 2078, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -249083,13 +177443,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 172, + "sidechain_THR": 111, "sidechain_TRP": null, - "next": 3055, + "next": 2079, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3053, + "prev": 2077, "terminal_flag": false, "phi": -44.7843961633495, "chainID": "A", @@ -249124,7 +177484,7 @@ } }, { - "pk": 3055, + "pk": 2079, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -249146,15 +177506,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3056, + "next": 2080, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3054, + "prev": 2078, "terminal_flag": false, "phi": -87.6467700650153, "chainID": "A", - "sidechain_GLN": 117, + "sidechain_GLN": 90, "ome": 177.906390794644, "chi2": 167.397841236143, "chi3": -60.1902419806977, @@ -249185,7 +177545,7 @@ } }, { - "pk": 3056, + "pk": 2080, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -249207,11 +177567,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3057, + "next": 2081, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3055, + "prev": 2079, "terminal_flag": false, "phi": 61.0757907504569, "chainID": "A", @@ -249246,7 +177606,7 @@ } }, { - "pk": 3057, + "pk": 2081, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -249268,11 +177628,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3058, + "next": 2082, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3056, + "prev": 2080, "terminal_flag": false, "phi": -136.253153904318, "chainID": "A", @@ -249307,7 +177667,7 @@ } }, { - "pk": 3058, + "pk": 2082, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -249329,11 +177689,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3059, + "next": 2083, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3057, + "prev": 2081, "terminal_flag": false, "phi": -105.519298876375, "chainID": "A", @@ -249360,7 +177720,7 @@ "bs": 41.0, "a2": 109.817969523104, "a5": 119.673809537898, - "sidechain_LEU": 250, + "sidechain_LEU": 190, "chainIndex": 1350, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -249368,7 +177728,7 @@ } }, { - "pk": 3059, + "pk": 2083, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -249388,13 +177748,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 173, + "sidechain_THR": 112, "sidechain_TRP": null, - "next": 3060, + "next": 2084, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3058, + "prev": 2082, "terminal_flag": false, "phi": -86.0725930431884, "chainID": "A", @@ -249429,7 +177789,7 @@ } }, { - "pk": 3060, + "pk": 2084, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -249451,11 +177811,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3061, - "sidechain_SER": 148, + "next": 2085, + "sidechain_SER": 102, "bm": 71.0, "xpr": false, - "prev": 3059, + "prev": 2083, "terminal_flag": false, "phi": -72.3738477868765, "chainID": "A", @@ -249490,7 +177850,7 @@ } }, { - "pk": 3061, + "pk": 2085, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -249508,15 +177868,15 @@ "zeta": 35.3173453107884, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 215, + "sidechain_VAL": 163, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3062, + "next": 2086, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 3060, + "prev": 2084, "terminal_flag": false, "phi": -98.5089604056178, "chainID": "A", @@ -249551,7 +177911,7 @@ } }, { - "pk": 3062, + "pk": 2086, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -249571,13 +177931,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 174, + "sidechain_THR": 113, "sidechain_TRP": null, - "next": 3063, + "next": 2087, "sidechain_SER": null, "bm": 110.0, "xpr": false, - "prev": 3061, + "prev": 2085, "terminal_flag": false, "phi": -73.2972705407938, "chainID": "A", @@ -249612,7 +177972,7 @@ } }, { - "pk": 3063, + "pk": 2087, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -249634,11 +177994,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3064, + "next": 2088, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 3062, + "prev": 2086, "terminal_flag": false, "phi": 20.3415532455408, "chainID": "A", @@ -249656,7 +178016,7 @@ "L3": 1.53598399475988, "a7": 123.151921319049, "L1": 1.33311095548817, - "sidechain_ARG": 153, + "sidechain_ARG": 112, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -249673,7 +178033,7 @@ } }, { - "pk": 3064, + "pk": 2088, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -249695,11 +178055,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3065, + "next": 2089, "sidechain_SER": null, "bm": 143.0, "xpr": false, - "prev": 3063, + "prev": 2087, "terminal_flag": false, "phi": -72.1911604167669, "chainID": "A", @@ -249728,13 +178088,13 @@ "a5": 120.927940951418, "sidechain_LEU": null, "chainIndex": 1356, - "sidechain_HIS": 87, + "sidechain_HIS": 65, "h_bond_energy": 0.0, "a4": 109.741357978953 } }, { - "pk": 3065, + "pk": 2089, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -249756,11 +178116,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3066, + "next": 2090, "sidechain_SER": null, "bm": 152.0, "xpr": false, - "prev": 3064, + "prev": 2088, "terminal_flag": false, "phi": -76.7319442809157, "chainID": "A", @@ -249795,7 +178155,7 @@ } }, { - "pk": 3066, + "pk": 2090, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -249811,17 +178171,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.557262918683, - "sidechain_PHE": 111, + "sidechain_PHE": 78, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3067, + "next": 2091, "sidechain_SER": null, "bm": 159.0, "xpr": false, - "prev": 3065, + "prev": 2089, "terminal_flag": false, "phi": -65.4873820098621, "chainID": "A", @@ -249856,12 +178216,12 @@ } }, { - "pk": 3067, + "pk": 2091, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 134, + "sidechain_ASN": 85, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.171796892209, @@ -249878,11 +178238,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3068, + "next": 2092, "sidechain_SER": null, "bm": 162.0, "xpr": false, - "prev": 3066, + "prev": 2090, "terminal_flag": false, "phi": -137.386302817555, "chainID": "A", @@ -249917,7 +178277,7 @@ } }, { - "pk": 3068, + "pk": 2092, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -249939,11 +178299,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3069, + "next": 2093, "sidechain_SER": null, "bm": 161.0, "xpr": false, - "prev": 3067, + "prev": 2091, "terminal_flag": false, "phi": 74.8534546594147, "chainID": "A", @@ -249961,7 +178321,7 @@ "L3": 1.53572424311118, "a7": 124.72475013777, "L1": 1.33197272917249, - "sidechain_ARG": 154, + "sidechain_ARG": 113, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -249978,7 +178338,7 @@ } }, { - "pk": 3069, + "pk": 2093, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -250000,11 +178360,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3070, - "sidechain_SER": 149, + "next": 2094, + "sidechain_SER": 103, "bm": 158.0, "xpr": false, - "prev": 3068, + "prev": 2092, "terminal_flag": false, "phi": -158.454509660482, "chainID": "A", @@ -250039,12 +178399,12 @@ } }, { - "pk": 3070, + "pk": 2094, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 135, + "sidechain_ASN": 86, "chain": "1TWFA", "sidechain_ASP": null, "a6": 115.625664274025, @@ -250061,11 +178421,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3071, + "next": 2095, "sidechain_SER": null, "bm": 155.0, "xpr": false, - "prev": 3069, + "prev": 2093, "terminal_flag": false, "phi": 177.183118572469, "chainID": "A", @@ -250100,7 +178460,7 @@ } }, { - "pk": 3071, + "pk": 2095, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -250120,13 +178480,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 175, + "sidechain_THR": 114, "sidechain_TRP": null, - "next": 3072, + "next": 2096, "sidechain_SER": null, "bm": 151.0, "xpr": false, - "prev": 3070, + "prev": 2094, "terminal_flag": false, "phi": -101.723020815231, "chainID": "A", @@ -250161,7 +178521,7 @@ } }, { - "pk": 3072, + "pk": 2096, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -250183,11 +178543,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3073, + "next": 2097, "sidechain_SER": null, "bm": 147.0, "xpr": false, - "prev": 3071, + "prev": 2095, "terminal_flag": false, "phi": -123.127288335057, "chainID": "A", @@ -250222,7 +178582,7 @@ } }, { - "pk": 3073, + "pk": 2097, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -250244,11 +178604,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3074, + "next": 2098, "sidechain_SER": null, "bm": 144.0, "xpr": false, - "prev": 3072, + "prev": 2096, "terminal_flag": false, "phi": -59.9610082424895, "chainID": "A", @@ -250283,7 +178643,7 @@ } }, { - "pk": 3074, + "pk": 2098, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -250305,11 +178665,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3075, + "next": 2099, "sidechain_SER": null, "bm": 145.0, "xpr": false, - "prev": 3073, + "prev": 2097, "terminal_flag": false, "phi": -73.1717926451153, "chainID": "A", @@ -250336,7 +178696,7 @@ "bs": 143.0, "a2": 110.379189605382, "a5": 120.264303624135, - "sidechain_LEU": 251, + "sidechain_LEU": 191, "chainIndex": 1366, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -250344,7 +178704,7 @@ } }, { - "pk": 3075, + "pk": 2099, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -250363,14 +178723,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 83, + "sidechain_MET": 56, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3076, + "next": 2100, "sidechain_SER": null, "bm": 148.0, "xpr": false, - "prev": 3074, + "prev": 2098, "terminal_flag": false, "phi": -70.8463880188259, "chainID": "A", @@ -250405,7 +178765,7 @@ } }, { - "pk": 3076, + "pk": 2100, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -250427,11 +178787,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3077, + "next": 2101, "sidechain_SER": null, "bm": 153.0, "xpr": false, - "prev": 3075, + "prev": 2099, "terminal_flag": false, "phi": -50.1275472307008, "chainID": "A", @@ -250449,7 +178809,7 @@ "L3": 1.5388546437641, "a7": 123.304411039345, "L1": 1.33277523903475, - "sidechain_ARG": 155, + "sidechain_ARG": 114, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -250466,7 +178826,7 @@ } }, { - "pk": 3077, + "pk": 2101, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -250478,7 +178838,7 @@ "psi": 64.6390183433732, "oldID": "1400", "bg": 157.04, - "sidechain_CYS": 56, + "sidechain_CYS": 38, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7804902657279, @@ -250488,11 +178848,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3078, + "next": 2102, "sidechain_SER": null, "bm": 156.0, "xpr": false, - "prev": 3076, + "prev": 2100, "terminal_flag": false, "phi": -67.5378897819192, "chainID": "A", @@ -250527,7 +178887,7 @@ } }, { - "pk": 3078, + "pk": 2102, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -250549,11 +178909,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3079, - "sidechain_SER": 150, + "next": 2103, + "sidechain_SER": 104, "bm": 156.0, "xpr": false, - "prev": 3077, + "prev": 2101, "terminal_flag": false, "phi": -70.7411752568553, "chainID": "A", @@ -250588,7 +178948,7 @@ } }, { - "pk": 3079, + "pk": 2103, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -250604,17 +178964,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.3103651034931, - "sidechain_PHE": 112, + "sidechain_PHE": 79, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3080, + "next": 2104, "sidechain_SER": null, "bm": 155.0, "xpr": false, - "prev": 3078, + "prev": 2102, "terminal_flag": false, "phi": 66.8492523709462, "chainID": "A", @@ -250649,7 +179009,7 @@ } }, { - "pk": 3080, + "pk": 2104, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -250671,11 +179031,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3081, + "next": 2105, "sidechain_SER": null, "bm": 150.0, "xpr": false, - "prev": 3079, + "prev": 2103, "terminal_flag": false, "phi": -66.9720328184941, "chainID": "A", @@ -250695,7 +179055,7 @@ "L1": 1.33039538729698, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 216, + "sidechain_GLU": 158, "omep": null, "ss": "S", "a3": 111.467325527566, @@ -250710,7 +179070,7 @@ } }, { - "pk": 3081, + "pk": 2105, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -250732,11 +179092,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3082, + "next": 2106, "sidechain_SER": null, "bm": 142.0, "xpr": false, - "prev": 3080, + "prev": 2104, "terminal_flag": false, "phi": -130.09340803034, "chainID": "A", @@ -250756,7 +179116,7 @@ "L1": 1.3292762334756, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 217, + "sidechain_GLU": 159, "omep": null, "ss": "-", "a3": 111.53301724668, @@ -250771,7 +179131,7 @@ } }, { - "pk": 3082, + "pk": 2106, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -250791,13 +179151,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 176, + "sidechain_THR": 115, "sidechain_TRP": null, - "next": 3083, + "next": 2107, "sidechain_SER": null, "bm": 131.0, "xpr": false, - "prev": 3081, + "prev": 2105, "terminal_flag": false, "phi": -86.8204524849391, "chainID": "A", @@ -250832,7 +179192,7 @@ } }, { - "pk": 3083, + "pk": 2107, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -250850,15 +179210,15 @@ "zeta": 34.9915276143851, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 216, + "sidechain_VAL": 164, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3084, + "next": 2108, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 3082, + "prev": 2106, "terminal_flag": false, "phi": -54.2044087949977, "chainID": "A", @@ -250893,7 +179253,7 @@ } }, { - "pk": 3084, + "pk": 2108, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -250915,11 +179275,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3085, + "next": 2109, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 3083, + "prev": 2107, "terminal_flag": false, "phi": -58.7882956285415, "chainID": "A", @@ -250939,7 +179299,7 @@ "L1": 1.32750908811545, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 218, + "sidechain_GLU": 160, "omep": null, "ss": "H", "a3": 111.110583120294, @@ -250954,7 +179314,7 @@ } }, { - "pk": 3085, + "pk": 2109, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -250967,7 +179327,7 @@ "oldID": "1408", "bg": 96.56, "sidechain_CYS": null, - "sidechain_ILE": 181, + "sidechain_ILE": 129, "protein": "1TWF", "zeta": 35.3180397824423, "sidechain_PHE": null, @@ -250976,11 +179336,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3086, + "next": 2110, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 3084, + "prev": 2108, "terminal_flag": false, "phi": -72.8974243836945, "chainID": "A", @@ -251015,7 +179375,7 @@ } }, { - "pk": 3086, + "pk": 2110, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -251037,11 +179397,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3087, + "next": 2111, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 3085, + "prev": 2109, "terminal_flag": false, "phi": -71.8092742812584, "chainID": "A", @@ -251068,7 +179428,7 @@ "bs": 82.0, "a2": 109.858092981191, "a5": 120.888526789533, - "sidechain_LEU": 252, + "sidechain_LEU": 192, "chainIndex": 1378, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -251076,7 +179436,7 @@ } }, { - "pk": 3087, + "pk": 2111, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -251092,17 +179452,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.9610788910635, - "sidechain_PHE": 113, + "sidechain_PHE": 80, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3088, + "next": 2112, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 3086, + "prev": 2110, "terminal_flag": false, "phi": -60.626348561149, "chainID": "A", @@ -251137,7 +179497,7 @@ } }, { - "pk": 3088, + "pk": 2112, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -251159,11 +179519,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3089, + "next": 2113, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3087, + "prev": 2111, "terminal_flag": false, "phi": -58.363040043432, "chainID": "A", @@ -251183,7 +179543,7 @@ "L1": 1.33128604615745, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 219, + "sidechain_GLU": 161, "omep": null, "ss": "H", "a3": 111.046112959044, @@ -251198,7 +179558,7 @@ } }, { - "pk": 3089, + "pk": 2113, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -251220,11 +179580,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3090, + "next": 2114, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3088, + "prev": 2112, "terminal_flag": false, "phi": -62.9260062545362, "chainID": "A", @@ -251259,7 +179619,7 @@ } }, { - "pk": 3090, + "pk": 2114, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -251281,11 +179641,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3091, + "next": 2115, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3089, + "prev": 2113, "terminal_flag": false, "phi": -63.431411149315, "chainID": "A", @@ -251320,7 +179680,7 @@ } }, { - "pk": 3091, + "pk": 2115, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -251342,11 +179702,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3092, + "next": 2116, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3090, + "prev": 2114, "terminal_flag": false, "phi": -69.7913442501473, "chainID": "A", @@ -251381,7 +179741,7 @@ } }, { - "pk": 3092, + "pk": 2116, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -251403,11 +179763,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3093, - "sidechain_SER": 151, + "next": 2117, + "sidechain_SER": 105, "bm": 49.0, "xpr": false, - "prev": 3091, + "prev": 2115, "terminal_flag": false, "phi": -120.462804002434, "chainID": "A", @@ -251442,7 +179802,7 @@ } }, { - "pk": 3093, + "pk": 2117, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -251464,11 +179824,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3094, + "next": 2118, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3092, + "prev": 2116, "terminal_flag": false, "phi": 64.3920377967507, "chainID": "A", @@ -251503,7 +179863,7 @@ } }, { - "pk": 3094, + "pk": 2118, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -251525,11 +179885,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3095, + "next": 2119, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3093, + "prev": 2117, "terminal_flag": false, "phi": -63.4529196266529, "chainID": "A", @@ -251549,7 +179909,7 @@ "L1": 1.32931469975504, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 220, + "sidechain_GLU": 162, "omep": null, "ss": "-", "a3": 108.596591759849, @@ -251564,7 +179924,7 @@ } }, { - "pk": 3095, + "pk": 2119, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -251586,11 +179946,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3096, + "next": 2120, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3094, + "prev": 2118, "terminal_flag": false, "phi": -118.379841301305, "chainID": "A", @@ -251617,7 +179977,7 @@ "bs": 55.0, "a2": 110.115448810485, "a5": 120.674475625161, - "sidechain_LEU": 253, + "sidechain_LEU": 193, "chainIndex": 1387, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -251625,14 +179985,14 @@ } }, { - "pk": 3096, + "pk": 2120, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 189, + "sidechain_ASP": 136, "a6": 115.390842025652, "psi": 115.875590701482, "oldID": "1419", @@ -251647,11 +180007,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3097, + "next": 2121, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3095, + "prev": 2119, "terminal_flag": false, "phi": -83.415132800245, "chainID": "A", @@ -251686,14 +180046,14 @@ } }, { - "pk": 3097, + "pk": 2121, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 190, + "sidechain_ASP": 137, "a6": 115.719663945177, "psi": -24.7326371332278, "oldID": "1420", @@ -251708,11 +180068,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3098, + "next": 2122, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3096, + "prev": 2120, "terminal_flag": false, "phi": -67.8789647480519, "chainID": "A", @@ -251747,7 +180107,7 @@ } }, { - "pk": 3098, + "pk": 2122, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -251759,7 +180119,7 @@ "psi": 57.7647371633436, "oldID": "1421", "bg": 50.29, - "sidechain_CYS": 57, + "sidechain_CYS": 39, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.5857037129522, @@ -251769,11 +180129,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3099, + "next": 2123, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3097, + "prev": 2121, "terminal_flag": false, "phi": 63.4899093075496, "chainID": "A", @@ -251808,7 +180168,7 @@ } }, { - "pk": 3099, + "pk": 2123, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -251830,11 +180190,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3100, + "next": 2124, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3098, + "prev": 2122, "terminal_flag": false, "phi": -118.146175270108, "chainID": "A", @@ -251852,7 +180212,7 @@ "L3": 1.52888735381475, "a7": 122.659842112499, "L1": 1.32919606703977, - "sidechain_ARG": 156, + "sidechain_ARG": 115, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -251869,7 +180229,7 @@ } }, { - "pk": 3100, + "pk": 2124, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -251891,11 +180251,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3101, + "next": 2125, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3099, + "prev": 2123, "terminal_flag": false, "phi": -82.0489377573013, "chainID": "A", @@ -251930,7 +180290,7 @@ } }, { - "pk": 3101, + "pk": 2125, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -251948,15 +180308,15 @@ "zeta": 33.8025861584167, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 217, + "sidechain_VAL": 165, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3102, + "next": 2126, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3100, + "prev": 2124, "terminal_flag": false, "phi": -72.9922763778495, "chainID": "A", @@ -251991,7 +180351,7 @@ } }, { - "pk": 3102, + "pk": 2126, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -252013,11 +180373,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3103, - "sidechain_SER": 152, + "next": 2127, + "sidechain_SER": 106, "bm": 48.0, "xpr": false, - "prev": 3101, + "prev": 2125, "terminal_flag": false, "phi": -50.5603371879474, "chainID": "A", @@ -252052,7 +180412,7 @@ } }, { - "pk": 3103, + "pk": 2127, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -252074,11 +180434,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3104, + "next": 2128, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3102, + "prev": 2126, "terminal_flag": false, "phi": -57.0068580989812, "chainID": "A", @@ -252098,7 +180458,7 @@ "L1": 1.32790784752829, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 221, + "sidechain_GLU": 163, "omep": null, "ss": "H", "a3": 109.472444463286, @@ -252113,12 +180473,12 @@ } }, { - "pk": 3104, + "pk": 2128, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 136, + "sidechain_ASN": 87, "chain": "1TWFA", "sidechain_ASP": null, "a6": 116.747967237497, @@ -252135,11 +180495,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3105, + "next": 2129, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3103, + "prev": 2127, "terminal_flag": false, "phi": -75.7440236414897, "chainID": "A", @@ -252174,7 +180534,7 @@ } }, { - "pk": 3105, + "pk": 2129, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -252192,15 +180552,15 @@ "zeta": 35.1109305128949, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 218, + "sidechain_VAL": 166, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3106, + "next": 2130, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3104, + "prev": 2128, "terminal_flag": false, "phi": -66.1402367208092, "chainID": "A", @@ -252235,7 +180595,7 @@ } }, { - "pk": 3106, + "pk": 2130, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -252248,7 +180608,7 @@ "oldID": "1429", "bg": 42.34, "sidechain_CYS": null, - "sidechain_ILE": 182, + "sidechain_ILE": 130, "protein": "1TWF", "zeta": 36.1906620013983, "sidechain_PHE": null, @@ -252257,11 +180617,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3107, + "next": 2131, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3105, + "prev": 2129, "terminal_flag": false, "phi": -58.2516674251134, "chainID": "A", @@ -252296,7 +180656,7 @@ } }, { - "pk": 3107, + "pk": 2131, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -252318,11 +180678,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3108, + "next": 2132, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3106, + "prev": 2130, "terminal_flag": false, "phi": -84.5283862543131, "chainID": "A", @@ -252349,7 +180709,7 @@ "bs": 41.0, "a2": 110.351769829173, "a5": 120.276895118357, - "sidechain_LEU": 254, + "sidechain_LEU": 194, "chainIndex": 1399, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -252357,7 +180717,7 @@ } }, { - "pk": 3108, + "pk": 2132, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -252379,11 +180739,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3109, + "next": 2133, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3107, + "prev": 2131, "terminal_flag": false, "phi": 65.147958086672, "chainID": "A", @@ -252418,7 +180778,7 @@ } }, { - "pk": 3109, + "pk": 2133, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -252440,15 +180800,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3110, + "next": 2134, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3108, + "prev": 2132, "terminal_flag": false, "phi": -134.558474814623, "chainID": "A", - "sidechain_GLN": 118, + "sidechain_GLN": 91, "ome": 178.889667675098, "chi2": -174.621205491281, "chi3": -50.8897418152497, @@ -252479,7 +180839,7 @@ } }, { - "pk": 3110, + "pk": 2134, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -252498,14 +180858,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 84, + "sidechain_MET": 57, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3111, + "next": 2135, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3109, + "prev": 2133, "terminal_flag": false, "phi": -88.2843209609664, "chainID": "A", @@ -252540,7 +180900,7 @@ } }, { - "pk": 3111, + "pk": 2135, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -252562,11 +180922,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3112, + "next": 2136, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3110, + "prev": 2134, "terminal_flag": false, "phi": -73.3351846752446, "chainID": "A", @@ -252601,11 +180961,11 @@ } }, { - "pk": 3112, + "pk": 2136, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 164, + "sidechain_PRO": 108, "sidechain_ASN": null, "chain": "1TWFA", "sidechain_ASP": null, @@ -252623,11 +180983,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3113, + "next": 2137, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3111, + "prev": 2135, "terminal_flag": false, "phi": -68.0165459134566, "chainID": "A", @@ -252662,7 +181022,7 @@ } }, { - "pk": 3113, + "pk": 2137, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -252675,7 +181035,7 @@ "oldID": "1436", "bg": 22.15, "sidechain_CYS": null, - "sidechain_ILE": 183, + "sidechain_ILE": 131, "protein": "1TWF", "zeta": 33.5394703361117, "sidechain_PHE": null, @@ -252684,11 +181044,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3114, + "next": 2138, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 3112, + "prev": 2136, "terminal_flag": false, "phi": -124.816901917426, "chainID": "A", @@ -252723,7 +181083,7 @@ } }, { - "pk": 3114, + "pk": 2138, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -252745,11 +181105,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3115, + "next": 2139, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 3113, + "prev": 2137, "terminal_flag": false, "phi": 37.4000862721011, "chainID": "A", @@ -252784,7 +181144,7 @@ } }, { - "pk": 3115, + "pk": 2139, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -252804,13 +181164,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 177, + "sidechain_THR": 116, "sidechain_TRP": null, - "next": 3116, + "next": 2140, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3114, + "prev": 2138, "terminal_flag": false, "phi": -55.0188044385123, "chainID": "A", @@ -252845,7 +181205,7 @@ } }, { - "pk": 3116, + "pk": 2140, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -252867,11 +181227,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3117, + "next": 2141, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3115, + "prev": 2139, "terminal_flag": false, "phi": -99.9947434331011, "chainID": "A", @@ -252906,7 +181266,7 @@ } }, { - "pk": 3117, + "pk": 2141, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -252928,11 +181288,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3118, + "next": 2142, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3116, + "prev": 2140, "terminal_flag": false, "phi": -78.5388632750502, "chainID": "A", @@ -252967,7 +181327,7 @@ } }, { - "pk": 3118, + "pk": 2142, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -252983,17 +181343,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 36.4101502483647, - "sidechain_PHE": 114, + "sidechain_PHE": 81, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3119, + "next": 2143, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3117, + "prev": 2141, "terminal_flag": false, "phi": -165.110197103283, "chainID": "A", @@ -253028,14 +181388,14 @@ } }, { - "pk": 3119, + "pk": 2143, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 191, + "sidechain_ASP": 138, "a6": 115.213250377381, "psi": 155.154608721106, "oldID": "1442", @@ -253050,11 +181410,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3120, + "next": 2144, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3118, + "prev": 2142, "terminal_flag": false, "phi": -110.873597008286, "chainID": "A", @@ -253089,7 +181449,7 @@ } }, { - "pk": 3120, + "pk": 2144, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -253107,15 +181467,15 @@ "zeta": 34.9306633474475, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 219, + "sidechain_VAL": 167, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3121, + "next": 2145, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3119, + "prev": 2143, "terminal_flag": false, "phi": -115.081225887914, "chainID": "A", @@ -253150,7 +181510,7 @@ } }, { - "pk": 3121, + "pk": 2145, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -253169,14 +181529,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 85, + "sidechain_MET": 58, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3122, + "next": 2146, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3120, + "prev": 2144, "terminal_flag": false, "phi": -131.742353968281, "chainID": "A", @@ -253211,7 +181571,7 @@ } }, { - "pk": 3122, + "pk": 2146, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -253224,7 +181584,7 @@ "oldID": "1445", "bg": 78.81, "sidechain_CYS": null, - "sidechain_ILE": 184, + "sidechain_ILE": 132, "protein": "1TWF", "zeta": 34.9867229187662, "sidechain_PHE": null, @@ -253233,11 +181593,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3123, + "next": 2147, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3121, + "prev": 2145, "terminal_flag": false, "phi": -66.0687899081751, "chainID": "A", @@ -253272,14 +181632,14 @@ } }, { - "pk": 3123, + "pk": 2147, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFA", - "sidechain_ASP": 192, + "sidechain_ASP": 139, "a6": 115.62284372261, "psi": 139.237058100027, "oldID": "1446", @@ -253294,11 +181654,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3124, + "next": 2148, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 3122, + "prev": 2146, "terminal_flag": false, "phi": -102.781687535261, "chainID": "A", @@ -253333,7 +181693,7 @@ } }, { - "pk": 3124, + "pk": 2148, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -253355,11 +181715,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3125, + "next": 2149, "sidechain_SER": null, "bm": 96.0, "xpr": false, - "prev": 3123, + "prev": 2147, "terminal_flag": false, "phi": -124.824304524459, "chainID": "A", @@ -253379,7 +181739,7 @@ "L1": 1.32858212018526, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 222, + "sidechain_GLU": 164, "omep": null, "ss": "S", "a3": 109.205967820528, @@ -253394,7 +181754,7 @@ } }, { - "pk": 3125, + "pk": 2149, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -253416,11 +181776,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3126, + "next": 2150, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 3124, + "prev": 2148, "terminal_flag": false, "phi": -148.472740504157, "chainID": "A", @@ -253440,7 +181800,7 @@ "L1": 1.33067942159046, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 223, + "sidechain_GLU": 165, "omep": null, "ss": "-", "a3": 106.592034367605, @@ -253455,7 +181815,7 @@ } }, { - "pk": 3126, + "pk": 2150, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -253477,11 +181837,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3127, - "sidechain_SER": 153, + "next": 2151, + "sidechain_SER": 107, "bm": 101.0, "xpr": false, - "prev": 3125, + "prev": 2149, "terminal_flag": false, "phi": -60.1046229430339, "chainID": "A", @@ -253516,7 +181876,7 @@ } }, { - "pk": 3127, + "pk": 2151, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -253542,7 +181902,7 @@ "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 3126, + "prev": 2150, "terminal_flag": true, "phi": -76.1271273795338, "chainID": "A", @@ -253569,7 +181929,7 @@ "bs": 99.0, "a2": 110.247438340228, "a5": 118.021953725605, - "sidechain_LEU": 255, + "sidechain_LEU": 195, "chainIndex": 1419, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -253577,7 +181937,7 @@ } }, { - "pk": 3128, + "pk": 2152, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -253599,7 +181959,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3129, + "next": 2153, "sidechain_SER": null, "bm": 105.0, "xpr": false, @@ -253623,7 +181983,7 @@ "L1": null, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 224, + "sidechain_GLU": 166, "omep": null, "ss": "-", "a3": 113.564354051302, @@ -253638,7 +181998,7 @@ } }, { - "pk": 3129, + "pk": 2153, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -253660,11 +182020,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3130, + "next": 2154, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 3128, + "prev": 2152, "terminal_flag": false, "phi": 59.303443283404, "chainID": "C", @@ -253684,7 +182044,7 @@ "L1": 1.33203811458487, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 225, + "sidechain_GLU": 167, "omep": null, "ss": "-", "a3": 115.081215422577, @@ -253699,7 +182059,7 @@ } }, { - "pk": 3130, + "pk": 2154, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -253721,11 +182081,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3131, + "next": 2155, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 3129, + "prev": 2153, "terminal_flag": false, "phi": 104.568549631775, "chainID": "C", @@ -253760,11 +182120,11 @@ } }, { - "pk": 3131, + "pk": 2155, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 165, + "sidechain_PRO": 109, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -253782,11 +182142,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3132, + "next": 2156, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 3130, + "prev": 2154, "terminal_flag": false, "phi": -55.3175607376055, "chainID": "C", @@ -253821,7 +182181,7 @@ } }, { - "pk": 3132, + "pk": 2156, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -253843,15 +182203,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3133, + "next": 2157, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 3131, + "prev": 2155, "terminal_flag": false, "phi": -139.17683625051, "chainID": "C", - "sidechain_GLN": 119, + "sidechain_GLN": 92, "ome": 179.613125250513, "chi2": -68.4552638550316, "chi3": 61.1158068882846, @@ -253882,7 +182242,7 @@ } }, { - "pk": 3133, + "pk": 2157, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -253900,15 +182260,15 @@ "zeta": 34.9302265007195, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 220, + "sidechain_VAL": 168, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3134, + "next": 2158, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 3132, + "prev": 2156, "terminal_flag": false, "phi": -88.6981324458932, "chainID": "C", @@ -253943,7 +182303,7 @@ } }, { - "pk": 3134, + "pk": 2158, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -253960,16 +182320,16 @@ "protein": "1TWF", "zeta": 35.1830786750012, "sidechain_PHE": null, - "sidechain_LYS": 204, + "sidechain_LYS": 125, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3135, + "next": 2159, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 3133, + "prev": 2157, "terminal_flag": false, "phi": -153.338538494341, "chainID": "C", @@ -254004,7 +182364,7 @@ } }, { - "pk": 3135, + "pk": 2159, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -254017,7 +182377,7 @@ "oldID": "10", "bg": 69.0, "sidechain_CYS": null, - "sidechain_ILE": 185, + "sidechain_ILE": 133, "protein": "1TWF", "zeta": 35.2248812646505, "sidechain_PHE": null, @@ -254026,11 +182386,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3136, + "next": 2160, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3134, + "prev": 2158, "terminal_flag": false, "phi": -48.4297770150145, "chainID": "C", @@ -254065,7 +182425,7 @@ } }, { - "pk": 3136, + "pk": 2160, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -254087,11 +182447,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3137, + "next": 2161, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 3135, + "prev": 2159, "terminal_flag": false, "phi": -101.057106333462, "chainID": "C", @@ -254109,7 +182469,7 @@ "L3": 1.53214846824062, "a7": 122.931646193766, "L1": 1.33485742476578, - "sidechain_ARG": 157, + "sidechain_ARG": 116, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -254126,7 +182486,7 @@ } }, { - "pk": 3137, + "pk": 2161, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -254148,11 +182508,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3138, + "next": 2162, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3136, + "prev": 2160, "terminal_flag": false, "phi": -133.221576485909, "chainID": "C", @@ -254172,7 +182532,7 @@ "L1": 1.32474549119036, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 226, + "sidechain_GLU": 168, "omep": null, "ss": "-", "a3": 107.954949012634, @@ -254187,7 +182547,7 @@ } }, { - "pk": 3138, + "pk": 2162, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -254209,11 +182569,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3139, + "next": 2163, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3137, + "prev": 2161, "terminal_flag": false, "phi": -165.440895637798, "chainID": "C", @@ -254248,7 +182608,7 @@ } }, { - "pk": 3139, + "pk": 2163, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -254270,11 +182630,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3140, - "sidechain_SER": 154, + "next": 2164, + "sidechain_SER": 108, "bm": 65.0, "xpr": false, - "prev": 3138, + "prev": 2162, "terminal_flag": false, "phi": -164.319048531497, "chainID": "C", @@ -254309,7 +182669,7 @@ } }, { - "pk": 3140, + "pk": 2164, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -254326,16 +182686,16 @@ "protein": "1TWF", "zeta": 35.149850368091, "sidechain_PHE": null, - "sidechain_LYS": 205, + "sidechain_LYS": 126, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3141, + "next": 2165, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3139, + "prev": 2163, "terminal_flag": false, "phi": -75.935603449777, "chainID": "C", @@ -254370,14 +182730,14 @@ } }, { - "pk": 3141, + "pk": 2165, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 193, + "sidechain_ASP": 140, "a6": 117.141070516772, "psi": -29.5328772287486, "oldID": "16", @@ -254392,11 +182752,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3142, + "next": 2166, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3140, + "prev": 2164, "terminal_flag": false, "phi": -125.538041374488, "chainID": "C", @@ -254431,12 +182791,12 @@ } }, { - "pk": 3142, + "pk": 2166, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 137, + "sidechain_ASN": 88, "chain": "1TWFC", "sidechain_ASP": null, "a6": 115.716106063244, @@ -254453,11 +182813,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3143, + "next": 2167, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 3141, + "prev": 2165, "terminal_flag": false, "phi": -136.384369663481, "chainID": "C", @@ -254492,7 +182852,7 @@ } }, { - "pk": 3143, + "pk": 2167, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -254510,15 +182870,15 @@ "zeta": 35.3621529259051, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 221, + "sidechain_VAL": 169, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3144, + "next": 2168, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 3142, + "prev": 2166, "terminal_flag": false, "phi": -133.421778865112, "chainID": "C", @@ -254553,14 +182913,14 @@ } }, { - "pk": 3144, + "pk": 2168, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 194, + "sidechain_ASP": 141, "a6": 117.322224529289, "psi": 105.929231943481, "oldID": "19", @@ -254575,11 +182935,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3145, + "next": 2169, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3143, + "prev": 2167, "terminal_flag": false, "phi": -83.3654621233515, "chainID": "C", @@ -254614,7 +182974,7 @@ } }, { - "pk": 3145, + "pk": 2169, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -254630,17 +182990,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.6795186749471, - "sidechain_PHE": 115, + "sidechain_PHE": 82, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3146, + "next": 2170, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3144, + "prev": 2168, "terminal_flag": false, "phi": -129.79704461263, "chainID": "C", @@ -254675,7 +183035,7 @@ } }, { - "pk": 3146, + "pk": 2170, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -254688,7 +183048,7 @@ "oldID": "21", "bg": 62.79, "sidechain_CYS": null, - "sidechain_ILE": 186, + "sidechain_ILE": 134, "protein": "1TWF", "zeta": 35.5324627448687, "sidechain_PHE": null, @@ -254697,11 +183057,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3147, + "next": 2171, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3145, + "prev": 2169, "terminal_flag": false, "phi": -140.623979921611, "chainID": "C", @@ -254736,7 +183096,7 @@ } }, { - "pk": 3147, + "pk": 2171, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -254758,11 +183118,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3148, + "next": 2172, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3146, + "prev": 2170, "terminal_flag": false, "phi": -67.1780356902513, "chainID": "C", @@ -254789,7 +183149,7 @@ "bs": 69.0, "a2": 110.45525031993, "a5": 120.427766717483, - "sidechain_LEU": 256, + "sidechain_LEU": 196, "chainIndex": 20, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -254797,7 +183157,7 @@ } }, { - "pk": 3148, + "pk": 2172, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -254819,11 +183179,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3149, - "sidechain_SER": 155, + "next": 2173, + "sidechain_SER": 109, "bm": 68.0, "xpr": false, - "prev": 3147, + "prev": 2171, "terminal_flag": false, "phi": -139.578404758692, "chainID": "C", @@ -254858,12 +183218,12 @@ } }, { - "pk": 3149, + "pk": 2173, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 138, + "sidechain_ASN": 89, "chain": "1TWFC", "sidechain_ASP": null, "a6": 116.603780163546, @@ -254880,11 +183240,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3150, + "next": 2174, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3148, + "prev": 2172, "terminal_flag": false, "phi": 56.5491014878458, "chainID": "C", @@ -254919,7 +183279,7 @@ } }, { - "pk": 3150, + "pk": 2174, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -254937,15 +183297,15 @@ "zeta": 34.3282963999314, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 222, + "sidechain_VAL": 170, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3151, + "next": 2175, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3149, + "prev": 2173, "terminal_flag": false, "phi": -153.688057746502, "chainID": "C", @@ -254980,14 +183340,14 @@ } }, { - "pk": 3151, + "pk": 2175, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 195, + "sidechain_ASP": 142, "a6": 116.428258596988, "psi": 144.411184481672, "oldID": "26", @@ -255002,11 +183362,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3152, + "next": 2176, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3150, + "prev": 2174, "terminal_flag": false, "phi": -82.2072872744642, "chainID": "C", @@ -255041,7 +183401,7 @@ } }, { - "pk": 3152, + "pk": 2176, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -255063,11 +183423,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3153, + "next": 2177, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3151, + "prev": 2175, "terminal_flag": false, "phi": -53.2466742683131, "chainID": "C", @@ -255094,7 +183454,7 @@ "bs": 54.0, "a2": 110.226986052418, "a5": 120.712779404386, - "sidechain_LEU": 257, + "sidechain_LEU": 197, "chainIndex": 25, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -255102,7 +183462,7 @@ } }, { - "pk": 3153, + "pk": 2177, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -255124,11 +183484,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3154, + "next": 2178, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3152, + "prev": 2176, "terminal_flag": false, "phi": -52.6747714038046, "chainID": "C", @@ -255163,7 +183523,7 @@ } }, { - "pk": 3154, + "pk": 2178, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -255182,14 +183542,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 86, + "sidechain_MET": 59, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3155, + "next": 2179, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3153, + "prev": 2177, "terminal_flag": false, "phi": -60.5454962712701, "chainID": "C", @@ -255224,7 +183584,7 @@ } }, { - "pk": 3155, + "pk": 2179, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -255246,11 +183606,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3156, + "next": 2180, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3154, + "prev": 2178, "terminal_flag": false, "phi": -51.496274464621, "chainID": "C", @@ -255285,12 +183645,12 @@ } }, { - "pk": 3156, + "pk": 2180, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 139, + "sidechain_ASN": 90, "chain": "1TWFC", "sidechain_ASP": null, "a6": 117.516694576463, @@ -255307,11 +183667,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3157, + "next": 2181, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3155, + "prev": 2179, "terminal_flag": false, "phi": -70.1872045189432, "chainID": "C", @@ -255346,7 +183706,7 @@ } }, { - "pk": 3157, + "pk": 2181, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -255368,11 +183728,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3158, - "sidechain_SER": 156, + "next": 2182, + "sidechain_SER": 110, "bm": 49.0, "xpr": false, - "prev": 3156, + "prev": 2180, "terminal_flag": false, "phi": -58.511253259702, "chainID": "C", @@ -255407,7 +183767,7 @@ } }, { - "pk": 3158, + "pk": 2182, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -255429,11 +183789,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3159, + "next": 2183, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3157, + "prev": 2181, "terminal_flag": false, "phi": -62.037729008659, "chainID": "C", @@ -255460,7 +183820,7 @@ "bs": 54.0, "a2": 110.460172101759, "a5": 121.529024034011, - "sidechain_LEU": 258, + "sidechain_LEU": 198, "chainIndex": 31, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -255468,7 +183828,7 @@ } }, { - "pk": 3159, + "pk": 2183, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -255490,11 +183850,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3160, + "next": 2184, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3158, + "prev": 2182, "terminal_flag": false, "phi": -57.6618004406128, "chainID": "C", @@ -255512,7 +183872,7 @@ "L3": 1.53112499494863, "a7": 122.358846985398, "L1": 1.3260236055084, - "sidechain_ARG": 158, + "sidechain_ARG": 117, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -255529,7 +183889,7 @@ } }, { - "pk": 3160, + "pk": 2184, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -255551,11 +183911,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3161, + "next": 2185, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3159, + "prev": 2183, "terminal_flag": false, "phi": -73.1111670463775, "chainID": "C", @@ -255573,7 +183933,7 @@ "L3": 1.54187948073006, "a7": 122.819202522184, "L1": 1.33371053819317, - "sidechain_ARG": 159, + "sidechain_ARG": 118, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -255590,7 +183950,7 @@ } }, { - "pk": 3161, + "pk": 2185, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -255608,15 +183968,15 @@ "zeta": 34.1089718387354, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 223, + "sidechain_VAL": 171, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3162, + "next": 2186, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3160, + "prev": 2184, "terminal_flag": false, "phi": -64.0824631233745, "chainID": "C", @@ -255651,7 +184011,7 @@ } }, { - "pk": 3162, + "pk": 2186, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -255670,14 +184030,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 87, + "sidechain_MET": 60, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3163, + "next": 2187, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3161, + "prev": 2185, "terminal_flag": false, "phi": -62.8554898359802, "chainID": "C", @@ -255712,7 +184072,7 @@ } }, { - "pk": 3163, + "pk": 2187, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -255725,7 +184085,7 @@ "oldID": "38", "bg": 42.17, "sidechain_CYS": null, - "sidechain_ILE": 187, + "sidechain_ILE": 135, "protein": "1TWF", "zeta": 35.2811386626441, "sidechain_PHE": null, @@ -255734,11 +184094,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3164, + "next": 2188, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3162, + "prev": 2186, "terminal_flag": false, "phi": -74.6728453080117, "chainID": "C", @@ -255773,7 +184133,7 @@ } }, { - "pk": 3164, + "pk": 2188, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -255795,11 +184155,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3165, + "next": 2189, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3163, + "prev": 2187, "terminal_flag": false, "phi": -126.766449018728, "chainID": "C", @@ -255834,7 +184194,7 @@ } }, { - "pk": 3165, + "pk": 2189, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -255856,11 +184216,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3166, + "next": 2190, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3164, + "prev": 2188, "terminal_flag": false, "phi": -128.013366304821, "chainID": "C", @@ -255880,7 +184240,7 @@ "L1": 1.32656108434555, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 227, + "sidechain_GLU": 169, "omep": null, "ss": "-", "a3": 119.720304791044, @@ -255895,7 +184255,7 @@ } }, { - "pk": 3166, + "pk": 2190, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -255908,7 +184268,7 @@ "oldID": "41", "bg": 33.95, "sidechain_CYS": null, - "sidechain_ILE": 188, + "sidechain_ILE": 136, "protein": "1TWF", "zeta": 34.0807756084716, "sidechain_PHE": null, @@ -255917,11 +184277,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3167, + "next": 2191, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3165, + "prev": 2189, "terminal_flag": false, "phi": -97.702222808909, "chainID": "C", @@ -255956,11 +184316,11 @@ } }, { - "pk": 3167, + "pk": 2191, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 166, + "sidechain_PRO": 110, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -255978,11 +184338,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3168, + "next": 2192, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3166, + "prev": 2190, "terminal_flag": false, "phi": -46.7230537127797, "chainID": "C", @@ -256017,7 +184377,7 @@ } }, { - "pk": 3168, + "pk": 2192, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -256037,13 +184397,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 178, + "sidechain_THR": 117, "sidechain_TRP": null, - "next": 3169, + "next": 2193, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3167, + "prev": 2191, "terminal_flag": false, "phi": -160.031046593471, "chainID": "C", @@ -256078,7 +184438,7 @@ } }, { - "pk": 3169, + "pk": 2193, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -256100,11 +184460,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3170, + "next": 2194, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3168, + "prev": 2192, "terminal_flag": false, "phi": -106.010111449773, "chainID": "C", @@ -256131,7 +184491,7 @@ "bs": 43.0, "a2": 110.600158821182, "a5": 120.036671924304, - "sidechain_LEU": 259, + "sidechain_LEU": 199, "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -256139,7 +184499,7 @@ } }, { - "pk": 3170, + "pk": 2194, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -256161,11 +184521,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3171, + "next": 2195, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3169, + "prev": 2193, "terminal_flag": false, "phi": -163.104720595225, "chainID": "C", @@ -256200,7 +184560,7 @@ } }, { - "pk": 3171, + "pk": 2195, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -256213,7 +184573,7 @@ "oldID": "46", "bg": 45.02, "sidechain_CYS": null, - "sidechain_ILE": 189, + "sidechain_ILE": 137, "protein": "1TWF", "zeta": 34.364614049867, "sidechain_PHE": null, @@ -256222,11 +184582,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3172, + "next": 2196, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3170, + "prev": 2194, "terminal_flag": false, "phi": -51.1895112177958, "chainID": "C", @@ -256261,14 +184621,14 @@ } }, { - "pk": 3172, + "pk": 2196, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 196, + "sidechain_ASP": 143, "a6": 115.704767506599, "psi": 19.8137689680336, "oldID": "47", @@ -256283,11 +184643,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3173, + "next": 2197, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3171, + "prev": 2195, "terminal_flag": false, "phi": -136.595609423356, "chainID": "C", @@ -256322,7 +184682,7 @@ } }, { - "pk": 3173, + "pk": 2197, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -256344,11 +184704,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3174, - "sidechain_SER": 157, + "next": 2198, + "sidechain_SER": 111, "bm": 49.0, "xpr": false, - "prev": 3172, + "prev": 2196, "terminal_flag": false, "phi": -168.38931400077, "chainID": "C", @@ -256383,7 +184743,7 @@ } }, { - "pk": 3174, + "pk": 2198, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -256401,15 +184761,15 @@ "zeta": 35.0873877120602, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 224, + "sidechain_VAL": 172, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3175, + "next": 2199, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3173, + "prev": 2197, "terminal_flag": false, "phi": -135.596303167338, "chainID": "C", @@ -256444,7 +184804,7 @@ } }, { - "pk": 3175, + "pk": 2199, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -256466,11 +184826,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3176, + "next": 2200, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3174, + "prev": 2198, "terminal_flag": false, "phi": -99.3274797458091, "chainID": "C", @@ -256490,7 +184850,7 @@ "L1": 1.33132305109215, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 228, + "sidechain_GLU": 170, "omep": null, "ss": "E", "a3": 106.834329738301, @@ -256505,7 +184865,7 @@ } }, { - "pk": 3176, + "pk": 2200, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -256523,15 +184883,15 @@ "zeta": 34.1032956540196, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 225, + "sidechain_VAL": 173, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3177, + "next": 2201, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3175, + "prev": 2199, "terminal_flag": false, "phi": -99.6999461505871, "chainID": "C", @@ -256566,7 +184926,7 @@ } }, { - "pk": 3177, + "pk": 2201, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -256588,11 +184948,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3178, + "next": 2202, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3176, + "prev": 2200, "terminal_flag": false, "phi": -87.6600706319319, "chainID": "C", @@ -256612,7 +184972,7 @@ "L1": 1.32762262849982, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 229, + "sidechain_GLU": 171, "omep": null, "ss": "E", "a3": 110.060797723247, @@ -256627,7 +184987,7 @@ } }, { - "pk": 3178, + "pk": 2202, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -256647,13 +185007,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 179, + "sidechain_THR": 118, "sidechain_TRP": null, - "next": 3179, + "next": 2203, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3177, + "prev": 2201, "terminal_flag": false, "phi": -130.859386074029, "chainID": "C", @@ -256688,12 +185048,12 @@ } }, { - "pk": 3179, + "pk": 2203, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 140, + "sidechain_ASN": 91, "chain": "1TWFC", "sidechain_ASP": null, "a6": 115.644303124549, @@ -256710,11 +185070,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3180, + "next": 2204, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3178, + "prev": 2202, "terminal_flag": false, "phi": -148.643945765012, "chainID": "C", @@ -256749,7 +185109,7 @@ } }, { - "pk": 3180, + "pk": 2204, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -256769,13 +185129,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 180, + "sidechain_THR": 119, "sidechain_TRP": null, - "next": 3181, + "next": 2205, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3179, + "prev": 2203, "terminal_flag": false, "phi": -112.401698811368, "chainID": "C", @@ -256810,7 +185170,7 @@ } }, { - "pk": 3181, + "pk": 2205, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -256830,13 +185190,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 181, + "sidechain_THR": 120, "sidechain_TRP": null, - "next": 3182, + "next": 2206, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3180, + "prev": 2204, "terminal_flag": false, "phi": -64.5987141337999, "chainID": "C", @@ -256871,7 +185231,7 @@ } }, { - "pk": 3182, + "pk": 2206, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -256889,15 +185249,15 @@ "zeta": 34.1840833927779, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 226, + "sidechain_VAL": 174, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3183, + "next": 2207, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3181, + "prev": 2205, "terminal_flag": false, "phi": -79.3551965144262, "chainID": "C", @@ -256932,7 +185292,7 @@ } }, { - "pk": 3183, + "pk": 2207, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -256954,11 +185314,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3184, + "next": 2208, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3182, + "prev": 2206, "terminal_flag": false, "phi": -98.9020164885774, "chainID": "C", @@ -256985,7 +185345,7 @@ "bs": 37.0, "a2": 107.726963535034, "a5": 120.971137284765, - "sidechain_LEU": 260, + "sidechain_LEU": 200, "chainIndex": 56, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -256993,7 +185353,7 @@ } }, { - "pk": 3184, + "pk": 2208, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -257015,11 +185375,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3185, + "next": 2209, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3183, + "prev": 2207, "terminal_flag": false, "phi": -78.9564107833618, "chainID": "C", @@ -257054,14 +185414,14 @@ } }, { - "pk": 3185, + "pk": 2209, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 197, + "sidechain_ASP": 144, "a6": 116.426940934855, "psi": -60.621075368566, "oldID": "60", @@ -257076,11 +185436,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3186, + "next": 2210, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3184, + "prev": 2208, "terminal_flag": false, "phi": -58.4609441684582, "chainID": "C", @@ -257115,7 +185475,7 @@ } }, { - "pk": 3186, + "pk": 2210, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -257137,11 +185497,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3187, + "next": 2211, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3185, + "prev": 2209, "terminal_flag": false, "phi": -54.0809425950653, "chainID": "C", @@ -257161,7 +185521,7 @@ "L1": 1.33761764400828, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 230, + "sidechain_GLU": 172, "omep": null, "ss": "H", "a3": 111.920578893461, @@ -257176,7 +185536,7 @@ } }, { - "pk": 3187, + "pk": 2211, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -257192,17 +185552,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.171894689964, - "sidechain_PHE": 116, + "sidechain_PHE": 83, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3188, + "next": 2212, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3186, + "prev": 2210, "terminal_flag": false, "phi": -64.5074263630719, "chainID": "C", @@ -257237,7 +185597,7 @@ } }, { - "pk": 3188, + "pk": 2212, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -257250,7 +185610,7 @@ "oldID": "63", "bg": 41.1, "sidechain_CYS": null, - "sidechain_ILE": 190, + "sidechain_ILE": 138, "protein": "1TWF", "zeta": 34.8069346706635, "sidechain_PHE": null, @@ -257259,11 +185619,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3189, + "next": 2213, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3187, + "prev": 2211, "terminal_flag": false, "phi": -66.4076811217651, "chainID": "C", @@ -257298,7 +185658,7 @@ } }, { - "pk": 3189, + "pk": 2213, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -257320,11 +185680,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3190, + "next": 2214, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3188, + "prev": 2212, "terminal_flag": false, "phi": -50.57389634778, "chainID": "C", @@ -257359,7 +185719,7 @@ } }, { - "pk": 3190, + "pk": 2214, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -257381,11 +185741,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3191, + "next": 2215, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3189, + "prev": 2213, "terminal_flag": false, "phi": -52.149949554915, "chainID": "C", @@ -257414,13 +185774,13 @@ "a5": 121.168910242056, "sidechain_LEU": null, "chainIndex": 63, - "sidechain_HIS": 88, + "sidechain_HIS": 66, "h_bond_energy": 0.0, "a4": 108.559425963231 } }, { - "pk": 3191, + "pk": 2215, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -257442,11 +185802,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3192, + "next": 2216, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3190, + "prev": 2214, "terminal_flag": false, "phi": -64.2138155975599, "chainID": "C", @@ -257464,7 +185824,7 @@ "L3": 1.54135810369611, "a7": 122.87457206742, "L1": 1.32812800193448, - "sidechain_ARG": 160, + "sidechain_ARG": 119, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -257481,7 +185841,7 @@ } }, { - "pk": 3192, + "pk": 2216, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -257503,11 +185863,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3193, + "next": 2217, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3191, + "prev": 2215, "terminal_flag": false, "phi": -46.1489577662239, "chainID": "C", @@ -257534,7 +185894,7 @@ "bs": 33.0, "a2": 110.354934611464, "a5": 121.124477806895, - "sidechain_LEU": 261, + "sidechain_LEU": 201, "chainIndex": 65, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -257542,7 +185902,7 @@ } }, { - "pk": 3193, + "pk": 2217, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -257564,11 +185924,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3194, + "next": 2218, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3192, + "prev": 2216, "terminal_flag": false, "phi": -56.0503165651206, "chainID": "C", @@ -257603,7 +185963,7 @@ } }, { - "pk": 3194, + "pk": 2218, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -257625,11 +185985,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3195, + "next": 2219, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3193, + "prev": 2217, "terminal_flag": false, "phi": -88.0709066568507, "chainID": "C", @@ -257656,7 +186016,7 @@ "bs": 45.0, "a2": 109.87913949059, "a5": 120.343861424635, - "sidechain_LEU": 262, + "sidechain_LEU": 202, "chainIndex": 67, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -257664,7 +186024,7 @@ } }, { - "pk": 3195, + "pk": 2219, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -257677,7 +186037,7 @@ "oldID": "70", "bg": 48.39, "sidechain_CYS": null, - "sidechain_ILE": 191, + "sidechain_ILE": 139, "protein": "1TWF", "zeta": 34.3096247416098, "sidechain_PHE": null, @@ -257686,11 +186046,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3196, + "next": 2220, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3194, + "prev": 2218, "terminal_flag": false, "phi": -75.383823739383, "chainID": "C", @@ -257725,11 +186085,11 @@ } }, { - "pk": 3196, + "pk": 2220, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 167, + "sidechain_PRO": 111, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -257747,11 +186107,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3197, + "next": 2221, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3195, + "prev": 2219, "terminal_flag": false, "phi": -58.1754035275264, "chainID": "C", @@ -257786,7 +186146,7 @@ } }, { - "pk": 3197, + "pk": 2221, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -257808,11 +186168,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3198, + "next": 2222, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3196, + "prev": 2220, "terminal_flag": false, "phi": -120.803291461057, "chainID": "C", @@ -257839,7 +186199,7 @@ "bs": 36.0, "a2": 110.654122156806, "a5": 120.630277063444, - "sidechain_LEU": 263, + "sidechain_LEU": 203, "chainIndex": 70, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -257847,7 +186207,7 @@ } }, { - "pk": 3198, + "pk": 2222, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -257869,15 +186229,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3199, + "next": 2223, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3197, + "prev": 2221, "terminal_flag": false, "phi": -54.0436458413773, "chainID": "C", - "sidechain_GLN": 120, + "sidechain_GLN": 93, "ome": -179.709539472385, "chi2": 49.5090604400274, "chi3": 62.9745647690233, @@ -257908,7 +186268,7 @@ } }, { - "pk": 3199, + "pk": 2223, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -257930,11 +186290,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3200, - "sidechain_SER": 158, + "next": 2224, + "sidechain_SER": 112, "bm": 55.0, "xpr": false, - "prev": 3198, + "prev": 2222, "terminal_flag": false, "phi": -129.055276249071, "chainID": "C", @@ -257969,7 +186329,7 @@ } }, { - "pk": 3200, + "pk": 2224, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -257988,14 +186348,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 88, + "sidechain_MET": 61, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3201, + "next": 2225, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3199, + "prev": 2223, "terminal_flag": false, "phi": -66.0623948274927, "chainID": "C", @@ -258030,14 +186390,14 @@ } }, { - "pk": 3201, + "pk": 2225, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 198, + "sidechain_ASP": 145, "a6": 115.588585134628, "psi": 49.3682663960578, "oldID": "76", @@ -258052,11 +186412,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3202, + "next": 2226, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3200, + "prev": 2224, "terminal_flag": false, "phi": -101.643764918287, "chainID": "C", @@ -258091,7 +186451,7 @@ } }, { - "pk": 3202, + "pk": 2226, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -258104,7 +186464,7 @@ "oldID": "77", "bg": 55.64, "sidechain_CYS": null, - "sidechain_ILE": 192, + "sidechain_ILE": 140, "protein": "1TWF", "zeta": 33.5654753830346, "sidechain_PHE": null, @@ -258113,11 +186473,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3203, + "next": 2227, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3201, + "prev": 2225, "terminal_flag": false, "phi": -66.1413934647268, "chainID": "C", @@ -258152,7 +186512,7 @@ } }, { - "pk": 3203, + "pk": 2227, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -258174,11 +186534,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3204, + "next": 2228, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3202, + "prev": 2226, "terminal_flag": false, "phi": -70.80020799939, "chainID": "C", @@ -258198,7 +186558,7 @@ "L1": 1.32777864423972, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 231, + "sidechain_GLU": 173, "omep": null, "ss": "G", "a3": 112.739659500321, @@ -258213,7 +186573,7 @@ } }, { - "pk": 3204, + "pk": 2228, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -258235,15 +186595,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3205, + "next": 2229, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3203, + "prev": 2227, "terminal_flag": false, "phi": -95.7493173809781, "chainID": "C", - "sidechain_GLN": 121, + "sidechain_GLN": 94, "ome": 178.696618021322, "chi2": 147.49671182829, "chi3": 40.2712939364999, @@ -258274,7 +186634,7 @@ } }, { - "pk": 3205, + "pk": 2229, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -258296,11 +186656,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3206, + "next": 2230, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3204, + "prev": 2228, "terminal_flag": false, "phi": -136.990469330711, "chainID": "C", @@ -258327,7 +186687,7 @@ "bs": 60.0, "a2": 110.632050890089, "a5": 120.642320045949, - "sidechain_LEU": 264, + "sidechain_LEU": 204, "chainIndex": 78, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -258335,7 +186695,7 @@ } }, { - "pk": 3206, + "pk": 2230, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -258357,11 +186717,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3207, + "next": 2231, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3205, + "prev": 2229, "terminal_flag": false, "phi": -64.0013490088898, "chainID": "C", @@ -258381,7 +186741,7 @@ "L1": 1.32726191880638, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 232, + "sidechain_GLU": 174, "omep": null, "ss": "-", "a3": 113.428776244684, @@ -258396,7 +186756,7 @@ } }, { - "pk": 3207, + "pk": 2231, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -258418,11 +186778,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3208, + "next": 2232, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3206, + "prev": 2230, "terminal_flag": false, "phi": -68.690833461246, "chainID": "C", @@ -258441,7 +186801,7 @@ "a7": 122.981256596652, "L1": 1.33214799458965, "sidechain_ARG": null, - "sidechain_TYR": 94, + "sidechain_TYR": 51, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -258457,7 +186817,7 @@ } }, { - "pk": 3208, + "pk": 2232, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -258479,11 +186839,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3209, - "sidechain_SER": 159, + "next": 2233, + "sidechain_SER": 113, "bm": 49.0, "xpr": false, - "prev": 3207, + "prev": 2231, "terminal_flag": false, "phi": -52.3277229021011, "chainID": "C", @@ -258518,7 +186878,7 @@ } }, { - "pk": 3209, + "pk": 2233, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -258540,11 +186900,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3210, + "next": 2234, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3208, + "prev": 2232, "terminal_flag": false, "phi": -69.8778958883835, "chainID": "C", @@ -258562,7 +186922,7 @@ "L3": 1.54100270039093, "a7": 122.330211022913, "L1": 1.33250436481343, - "sidechain_ARG": 161, + "sidechain_ARG": 120, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -258579,14 +186939,14 @@ } }, { - "pk": 3210, + "pk": 2234, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 199, + "sidechain_ASP": 146, "a6": 115.220122832899, "psi": -45.0647554668792, "oldID": "85", @@ -258601,11 +186961,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3211, + "next": 2235, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3209, + "prev": 2233, "terminal_flag": false, "phi": -98.4513345174773, "chainID": "C", @@ -258640,7 +187000,7 @@ } }, { - "pk": 3211, + "pk": 2235, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -258652,7 +187012,7 @@ "psi": 132.343520356164, "oldID": "86", "bg": 48.31, - "sidechain_CYS": 58, + "sidechain_CYS": 40, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.1018797704623, @@ -258662,11 +187022,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3212, + "next": 2236, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3210, + "prev": 2234, "terminal_flag": false, "phi": -36.5520336028251, "chainID": "C", @@ -258701,7 +187061,7 @@ } }, { - "pk": 3212, + "pk": 2236, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -258717,17 +187077,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.8108013262621, - "sidechain_PHE": 117, + "sidechain_PHE": 84, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3213, + "next": 2237, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3211, + "prev": 2235, "terminal_flag": false, "phi": -77.8910403493863, "chainID": "C", @@ -258762,7 +187122,7 @@ } }, { - "pk": 3213, + "pk": 2237, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -258774,7 +187134,7 @@ "psi": -174.465930404215, "oldID": "88", "bg": 55.19, - "sidechain_CYS": 59, + "sidechain_CYS": 41, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7422507323233, @@ -258784,11 +187144,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3214, + "next": 2238, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3212, + "prev": 2236, "terminal_flag": false, "phi": -87.6237033615877, "chainID": "C", @@ -258823,7 +187183,7 @@ } }, { - "pk": 3214, + "pk": 2238, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -258845,11 +187205,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3215, + "next": 2239, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3213, + "prev": 2237, "terminal_flag": false, "phi": -103.088976178367, "chainID": "C", @@ -258869,7 +187229,7 @@ "L1": 1.32295448024534, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 233, + "sidechain_GLU": 175, "omep": null, "ss": "S", "a3": 106.870756819127, @@ -258884,14 +187244,14 @@ } }, { - "pk": 3215, + "pk": 2239, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 200, + "sidechain_ASP": 147, "a6": 118.214206709613, "psi": -95.1251067691416, "oldID": "90", @@ -258906,11 +187266,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3216, + "next": 2240, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3214, + "prev": 2238, "terminal_flag": false, "phi": 76.6871945759281, "chainID": "C", @@ -258945,7 +187305,7 @@ } }, { - "pk": 3216, + "pk": 2240, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -258967,11 +187327,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3217, + "next": 2241, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3215, + "prev": 2239, "terminal_flag": false, "phi": -142.276263332107, "chainID": "C", @@ -259000,13 +187360,13 @@ "a5": 121.015959675494, "sidechain_LEU": null, "chainIndex": 89, - "sidechain_HIS": 89, + "sidechain_HIS": 67, "h_bond_energy": 0.0, "a4": 110.601358706906 } }, { - "pk": 3217, + "pk": 2241, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -259018,7 +187378,7 @@ "psi": 174.940604458199, "oldID": "92", "bg": 56.08, - "sidechain_CYS": 60, + "sidechain_CYS": 42, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.4257605938658, @@ -259028,11 +187388,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3218, + "next": 2242, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3216, + "prev": 2240, "terminal_flag": false, "phi": -164.01924313955, "chainID": "C", @@ -259067,14 +187427,14 @@ } }, { - "pk": 3218, + "pk": 2242, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 201, + "sidechain_ASP": 148, "a6": 116.920658107189, "psi": -21.5774422425134, "oldID": "93", @@ -259089,11 +187449,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3219, + "next": 2243, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3217, + "prev": 2241, "terminal_flag": false, "phi": -60.5947605326568, "chainID": "C", @@ -259128,7 +187488,7 @@ } }, { - "pk": 3219, + "pk": 2243, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -259145,16 +187505,16 @@ "protein": "1TWF", "zeta": 34.6341720712357, "sidechain_PHE": null, - "sidechain_LYS": 206, + "sidechain_LYS": 127, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3220, + "next": 2244, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3218, + "prev": 2242, "terminal_flag": false, "phi": -72.9268229147547, "chainID": "C", @@ -259189,7 +187549,7 @@ } }, { - "pk": 3220, + "pk": 2244, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -259201,7 +187561,7 @@ "psi": 2.90384239624782, "oldID": "95", "bg": 52.43, - "sidechain_CYS": 61, + "sidechain_CYS": 43, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8012666002299, @@ -259211,11 +187571,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3221, + "next": 2245, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3219, + "prev": 2243, "terminal_flag": false, "phi": -134.419858535162, "chainID": "C", @@ -259250,7 +187610,7 @@ } }, { - "pk": 3221, + "pk": 2245, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -259272,11 +187632,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3222, - "sidechain_SER": 160, + "next": 2246, + "sidechain_SER": 114, "bm": 53.0, "xpr": false, - "prev": 3220, + "prev": 2244, "terminal_flag": false, "phi": -153.565539510404, "chainID": "C", @@ -259311,7 +187671,7 @@ } }, { - "pk": 3222, + "pk": 2246, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -259329,15 +187689,15 @@ "zeta": 35.3139200244392, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 227, + "sidechain_VAL": 175, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3223, + "next": 2247, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3221, + "prev": 2245, "terminal_flag": false, "phi": -111.045748720546, "chainID": "C", @@ -259372,7 +187732,7 @@ } }, { - "pk": 3223, + "pk": 2247, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -259390,15 +187750,15 @@ "zeta": 35.1787036857528, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 228, + "sidechain_VAL": 176, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3224, + "next": 2248, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3222, + "prev": 2246, "terminal_flag": false, "phi": -99.8984999207953, "chainID": "C", @@ -259433,7 +187793,7 @@ } }, { - "pk": 3224, + "pk": 2248, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -259455,11 +187815,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3225, + "next": 2249, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3223, + "prev": 2247, "terminal_flag": false, "phi": -126.298966931557, "chainID": "C", @@ -259486,7 +187846,7 @@ "bs": 52.0, "a2": 111.570800813881, "a5": 121.343970132463, - "sidechain_LEU": 265, + "sidechain_LEU": 205, "chainIndex": 97, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -259494,7 +187854,7 @@ } }, { - "pk": 3225, + "pk": 2249, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -259514,13 +187874,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 182, + "sidechain_THR": 121, "sidechain_TRP": null, - "next": 3226, + "next": 2250, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3224, + "prev": 2248, "terminal_flag": false, "phi": -126.486745074526, "chainID": "C", @@ -259555,7 +187915,7 @@ } }, { - "pk": 3226, + "pk": 2250, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -259577,11 +187937,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3227, + "next": 2251, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3225, + "prev": 2249, "terminal_flag": false, "phi": -137.221132127887, "chainID": "C", @@ -259608,7 +187968,7 @@ "bs": 60.0, "a2": 111.31419177551, "a5": 120.791882464808, - "sidechain_LEU": 266, + "sidechain_LEU": 206, "chainIndex": 99, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -259616,7 +187976,7 @@ } }, { - "pk": 3227, + "pk": 2251, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -259638,15 +187998,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3228, + "next": 2252, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3226, + "prev": 2250, "terminal_flag": false, "phi": -126.433944102626, "chainID": "C", - "sidechain_GLN": 122, + "sidechain_GLN": 95, "ome": 179.912204502768, "chi2": -167.274573099729, "chi3": 57.0821168369273, @@ -259677,7 +188037,7 @@ } }, { - "pk": 3228, + "pk": 2252, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -259699,11 +188059,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3229, + "next": 2253, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3227, + "prev": 2251, "terminal_flag": false, "phi": -147.460979873991, "chainID": "C", @@ -259738,7 +188098,7 @@ } }, { - "pk": 3229, + "pk": 2253, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -259754,17 +188114,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.0098769562077, - "sidechain_PHE": 118, + "sidechain_PHE": 85, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3230, + "next": 2254, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3228, + "prev": 2252, "terminal_flag": false, "phi": -130.981167928654, "chainID": "C", @@ -259799,7 +188159,7 @@ } }, { - "pk": 3230, + "pk": 2254, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -259821,11 +188181,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3231, + "next": 2255, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3229, + "prev": 2253, "terminal_flag": false, "phi": -77.4637654409624, "chainID": "C", @@ -259860,7 +188220,7 @@ } }, { - "pk": 3231, + "pk": 2255, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -259882,11 +188242,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3232, + "next": 2256, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 3230, + "prev": 2254, "terminal_flag": false, "phi": -89.0821164180248, "chainID": "C", @@ -259906,7 +188266,7 @@ "L1": 1.33372035172508, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 234, + "sidechain_GLU": 176, "omep": null, "ss": "-", "a3": 112.124333476773, @@ -259921,7 +188281,7 @@ } }, { - "pk": 3232, + "pk": 2256, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -259943,11 +188303,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3233, - "sidechain_SER": 161, + "next": 2257, + "sidechain_SER": 115, "bm": 77.0, "xpr": false, - "prev": 3231, + "prev": 2255, "terminal_flag": false, "phi": -60.1062539066151, "chainID": "C", @@ -259982,7 +188342,7 @@ } }, { - "pk": 3233, + "pk": 2257, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -260004,11 +188364,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3234, + "next": 2258, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3232, + "prev": 2256, "terminal_flag": false, "phi": -89.0553660601866, "chainID": "C", @@ -260028,7 +188388,7 @@ "L1": 1.33016269917412, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 235, + "sidechain_GLU": 177, "omep": null, "ss": "S", "a3": 108.454222475227, @@ -260043,7 +188403,7 @@ } }, { - "pk": 3234, + "pk": 2258, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -260065,11 +188425,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3235, - "sidechain_SER": 162, + "next": 2259, + "sidechain_SER": 116, "bm": 73.0, "xpr": false, - "prev": 3233, + "prev": 2257, "terminal_flag": false, "phi": -74.3605347434899, "chainID": "C", @@ -260104,7 +188464,7 @@ } }, { - "pk": 3235, + "pk": 2259, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -260124,13 +188484,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 183, + "sidechain_THR": 122, "sidechain_TRP": null, - "next": 3236, + "next": 2260, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3234, + "prev": 2258, "terminal_flag": false, "phi": -52.9923271752807, "chainID": "C", @@ -260165,7 +188525,7 @@ } }, { - "pk": 3236, + "pk": 2260, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -260185,13 +188545,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 184, + "sidechain_THR": 123, "sidechain_TRP": null, - "next": 3237, + "next": 2261, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3235, + "prev": 2259, "terminal_flag": false, "phi": -95.2731421615802, "chainID": "C", @@ -260226,12 +188586,12 @@ } }, { - "pk": 3237, + "pk": 2261, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 141, + "sidechain_ASN": 92, "chain": "1TWFC", "sidechain_ASP": null, "a6": 116.260165020735, @@ -260248,11 +188608,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3238, + "next": 2262, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3236, + "prev": 2260, "terminal_flag": false, "phi": -89.4903062808836, "chainID": "C", @@ -260287,7 +188647,7 @@ } }, { - "pk": 3238, + "pk": 2262, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -260305,15 +188665,15 @@ "zeta": 34.8719546433054, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 229, + "sidechain_VAL": 177, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3239, + "next": 2263, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3237, + "prev": 2261, "terminal_flag": false, "phi": -105.10295230025, "chainID": "C", @@ -260348,7 +188708,7 @@ } }, { - "pk": 3239, + "pk": 2263, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -260370,11 +188730,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3240, + "next": 2264, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3238, + "prev": 2262, "terminal_flag": false, "phi": -89.1161069469488, "chainID": "C", @@ -260393,7 +188753,7 @@ "a7": 123.537095847768, "L1": 1.33316956396747, "sidechain_ARG": null, - "sidechain_TYR": 95, + "sidechain_TYR": 52, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -260409,7 +188769,7 @@ } }, { - "pk": 3240, + "pk": 2264, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -260431,11 +188791,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3241, - "sidechain_SER": 163, + "next": 2265, + "sidechain_SER": 117, "bm": 57.0, "xpr": false, - "prev": 3239, + "prev": 2263, "terminal_flag": false, "phi": -77.3245434946713, "chainID": "C", @@ -260470,7 +188830,7 @@ } }, { - "pk": 3241, + "pk": 2265, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -260487,16 +188847,16 @@ "protein": "1TWF", "zeta": 35.2216834791182, "sidechain_PHE": null, - "sidechain_LYS": 207, + "sidechain_LYS": 128, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3242, + "next": 2266, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3240, + "prev": 2264, "terminal_flag": false, "phi": -71.5227804796304, "chainID": "C", @@ -260531,14 +188891,14 @@ } }, { - "pk": 3242, + "pk": 2266, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 202, + "sidechain_ASP": 149, "a6": 116.216844922324, "psi": -0.712200293781898, "oldID": "117", @@ -260553,11 +188913,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3243, + "next": 2267, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3241, + "prev": 2265, "terminal_flag": false, "phi": -71.1719744527027, "chainID": "C", @@ -260592,7 +188952,7 @@ } }, { - "pk": 3243, + "pk": 2267, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -260614,11 +188974,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3244, + "next": 2268, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3242, + "prev": 2266, "terminal_flag": false, "phi": -76.3249986507944, "chainID": "C", @@ -260645,7 +189005,7 @@ "bs": 55.0, "a2": 110.921633665196, "a5": 121.023937721534, - "sidechain_LEU": 267, + "sidechain_LEU": 207, "chainIndex": 116, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -260653,7 +189013,7 @@ } }, { - "pk": 3244, + "pk": 2268, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -260671,15 +189031,15 @@ "zeta": 35.0789726438515, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 230, + "sidechain_VAL": 178, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3245, + "next": 2269, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3243, + "prev": 2267, "terminal_flag": false, "phi": -127.913336349624, "chainID": "C", @@ -260714,7 +189074,7 @@ } }, { - "pk": 3245, + "pk": 2269, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -260727,7 +189087,7 @@ "oldID": "120", "bg": 49.21, "sidechain_CYS": null, - "sidechain_ILE": 193, + "sidechain_ILE": 141, "protein": "1TWF", "zeta": 35.3974011554919, "sidechain_PHE": null, @@ -260736,11 +189096,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3246, + "next": 2270, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3244, + "prev": 2268, "terminal_flag": false, "phi": -71.5796073947011, "chainID": "C", @@ -260775,7 +189135,7 @@ } }, { - "pk": 3246, + "pk": 2270, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -260793,15 +189153,15 @@ "zeta": 35.1991337691464, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 231, + "sidechain_VAL": 179, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3247, + "next": 2271, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3245, + "prev": 2269, "terminal_flag": false, "phi": -116.288214043426, "chainID": "C", @@ -260836,7 +189196,7 @@ } }, { - "pk": 3247, + "pk": 2271, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -260858,11 +189218,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3248, - "sidechain_SER": 164, + "next": 2272, + "sidechain_SER": 118, "bm": 57.0, "xpr": false, - "prev": 3246, + "prev": 2270, "terminal_flag": false, "phi": -106.428070481682, "chainID": "C", @@ -260897,12 +189257,12 @@ } }, { - "pk": 3248, + "pk": 2272, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 142, + "sidechain_ASN": 93, "chain": "1TWFC", "sidechain_ASP": null, "a6": 115.799489631291, @@ -260919,11 +189279,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3249, + "next": 2273, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3247, + "prev": 2271, "terminal_flag": false, "phi": -84.5278047677406, "chainID": "C", @@ -260958,7 +189318,7 @@ } }, { - "pk": 3249, + "pk": 2273, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -260980,11 +189340,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3250, + "next": 2274, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3248, + "prev": 2272, "terminal_flag": false, "phi": -67.2843909721182, "chainID": "C", @@ -261011,7 +189371,7 @@ "bs": 65.0, "a2": 110.30980627994, "a5": 120.340889093383, - "sidechain_LEU": 268, + "sidechain_LEU": 208, "chainIndex": 122, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -261019,7 +189379,7 @@ } }, { - "pk": 3250, + "pk": 2274, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -261038,14 +189398,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 89, + "sidechain_MET": 62, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3251, + "next": 2275, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3249, + "prev": 2273, "terminal_flag": false, "phi": 48.7819786875629, "chainID": "C", @@ -261080,7 +189440,7 @@ } }, { - "pk": 3251, + "pk": 2275, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -261102,11 +189462,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3252, + "next": 2276, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3250, + "prev": 2274, "terminal_flag": false, "phi": 78.1821734701963, "chainID": "C", @@ -261141,7 +189501,7 @@ } }, { - "pk": 3252, + "pk": 2276, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -261163,11 +189523,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3253, + "next": 2277, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3251, + "prev": 2275, "terminal_flag": false, "phi": -99.2215079008703, "chainID": "C", @@ -261185,7 +189545,7 @@ "L3": 1.52160534533982, "a7": 123.575331182405, "L1": 1.32743683944464, - "sidechain_ARG": 162, + "sidechain_ARG": 121, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -261202,12 +189562,12 @@ } }, { - "pk": 3253, + "pk": 2277, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 143, + "sidechain_ASN": 94, "chain": "1TWFC", "sidechain_ASP": null, "a6": 115.769068134471, @@ -261224,11 +189584,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3254, + "next": 2278, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3252, + "prev": 2276, "terminal_flag": false, "phi": -63.0752929878418, "chainID": "C", @@ -261263,7 +189623,7 @@ } }, { - "pk": 3254, + "pk": 2278, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -261276,7 +189636,7 @@ "oldID": "129", "bg": 63.49, "sidechain_CYS": null, - "sidechain_ILE": 194, + "sidechain_ILE": 142, "protein": "1TWF", "zeta": 34.7478594048717, "sidechain_PHE": null, @@ -261285,11 +189645,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3255, + "next": 2279, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3253, + "prev": 2277, "terminal_flag": false, "phi": -164.339239625412, "chainID": "C", @@ -261324,7 +189684,7 @@ } }, { - "pk": 3255, + "pk": 2279, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -261346,11 +189706,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3256, + "next": 2280, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3254, + "prev": 2278, "terminal_flag": false, "phi": 87.4441119387567, "chainID": "C", @@ -261385,7 +189745,7 @@ } }, { - "pk": 3256, + "pk": 2280, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -261407,11 +189767,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3257, + "next": 2281, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3255, + "prev": 2279, "terminal_flag": false, "phi": -72.1379867026273, "chainID": "C", @@ -261440,17 +189800,17 @@ "a5": 121.437312265586, "sidechain_LEU": null, "chainIndex": 129, - "sidechain_HIS": 90, + "sidechain_HIS": 68, "h_bond_energy": 0.0, "a4": 110.330488238699 } }, { - "pk": 3257, + "pk": 2281, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 168, + "sidechain_PRO": 112, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -261468,11 +189828,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3258, + "next": 2282, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3256, + "prev": 2280, "terminal_flag": false, "phi": -56.2035505506745, "chainID": "C", @@ -261507,7 +189867,7 @@ } }, { - "pk": 3258, + "pk": 2282, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -261520,7 +189880,7 @@ "oldID": "133", "bg": 54.52, "sidechain_CYS": null, - "sidechain_ILE": 195, + "sidechain_ILE": 143, "protein": "1TWF", "zeta": 35.5796647496789, "sidechain_PHE": null, @@ -261529,11 +189889,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3259, + "next": 2283, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3257, + "prev": 2281, "terminal_flag": false, "phi": -67.9276960859626, "chainID": "C", @@ -261568,7 +189928,7 @@ } }, { - "pk": 3259, + "pk": 2283, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -261581,7 +189941,7 @@ "oldID": "134", "bg": 56.26, "sidechain_CYS": null, - "sidechain_ILE": 196, + "sidechain_ILE": 144, "protein": "1TWF", "zeta": 34.9807119397059, "sidechain_PHE": null, @@ -261590,11 +189950,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3260, + "next": 2284, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3258, + "prev": 2282, "terminal_flag": false, "phi": -133.561641293177, "chainID": "C", @@ -261629,7 +189989,7 @@ } }, { - "pk": 3260, + "pk": 2284, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -261651,15 +190011,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3261, + "next": 2285, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3259, + "prev": 2283, "terminal_flag": false, "phi": -141.082825493589, "chainID": "C", - "sidechain_GLN": 123, + "sidechain_GLN": 96, "ome": 179.399918824205, "chi2": -170.42957698127, "chi3": -49.8770020797475, @@ -261690,14 +190050,14 @@ } }, { - "pk": 3261, + "pk": 2285, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 203, + "sidechain_ASP": 150, "a6": 115.862462933317, "psi": 145.218973655278, "oldID": "136", @@ -261712,11 +190072,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3262, + "next": 2286, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3260, + "prev": 2284, "terminal_flag": false, "phi": -80.4711631437955, "chainID": "C", @@ -261751,7 +190111,7 @@ } }, { - "pk": 3262, + "pk": 2286, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -261768,16 +190128,16 @@ "protein": "1TWF", "zeta": 35.25920206481, "sidechain_PHE": null, - "sidechain_LYS": 208, + "sidechain_LYS": 129, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3263, + "next": 2287, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3261, + "prev": 2285, "terminal_flag": false, "phi": -64.5031316297649, "chainID": "C", @@ -261812,7 +190172,7 @@ } }, { - "pk": 3263, + "pk": 2287, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -261834,11 +190194,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3264, + "next": 2288, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 3262, + "prev": 2286, "terminal_flag": false, "phi": -127.77494442144, "chainID": "C", @@ -261858,7 +190218,7 @@ "L1": 1.32438817640794, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 236, + "sidechain_GLU": 178, "omep": null, "ss": "T", "a3": 112.896465751034, @@ -261873,7 +190233,7 @@ } }, { - "pk": 3264, + "pk": 2288, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -261895,11 +190255,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3265, + "next": 2289, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3263, + "prev": 2287, "terminal_flag": false, "phi": 65.5713687319626, "chainID": "C", @@ -261934,12 +190294,12 @@ } }, { - "pk": 3265, + "pk": 2289, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 144, + "sidechain_ASN": 95, "chain": "1TWFC", "sidechain_ASP": null, "a6": 115.652571371925, @@ -261956,11 +190316,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3266, + "next": 2290, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3264, + "prev": 2288, "terminal_flag": false, "phi": -90.3664073437913, "chainID": "C", @@ -261995,7 +190355,7 @@ } }, { - "pk": 3266, + "pk": 2290, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -262017,11 +190377,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3267, + "next": 2291, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3265, + "prev": 2289, "terminal_flag": false, "phi": 87.1833368417453, "chainID": "C", @@ -262056,7 +190416,7 @@ } }, { - "pk": 3267, + "pk": 2291, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -262074,15 +190434,15 @@ "zeta": 35.3226474559601, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 232, + "sidechain_VAL": 180, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3268, + "next": 2292, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3266, + "prev": 2290, "terminal_flag": false, "phi": -79.1133181627059, "chainID": "C", @@ -262117,7 +190477,7 @@ } }, { - "pk": 3268, + "pk": 2292, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -262139,11 +190499,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3269, + "next": 2293, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3267, + "prev": 2291, "terminal_flag": false, "phi": -74.1703467834341, "chainID": "C", @@ -262170,7 +190530,7 @@ "bs": 45.0, "a2": 109.282192917181, "a5": 121.307369449269, - "sidechain_LEU": 269, + "sidechain_LEU": 209, "chainIndex": 141, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -262178,7 +190538,7 @@ } }, { - "pk": 3269, + "pk": 2293, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -262191,7 +190551,7 @@ "oldID": "144", "bg": 40.37, "sidechain_CYS": null, - "sidechain_ILE": 197, + "sidechain_ILE": 145, "protein": "1TWF", "zeta": 35.4114266635853, "sidechain_PHE": null, @@ -262200,11 +190560,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3270, + "next": 2294, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3268, + "prev": 2292, "terminal_flag": false, "phi": -71.5635949003846, "chainID": "C", @@ -262239,7 +190599,7 @@ } }, { - "pk": 3270, + "pk": 2294, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -262251,7 +190611,7 @@ "psi": -178.573212824599, "oldID": "145", "bg": 43.88, - "sidechain_CYS": 62, + "sidechain_CYS": 44, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8345358606133, @@ -262261,11 +190621,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3271, + "next": 2295, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3269, + "prev": 2293, "terminal_flag": false, "phi": -151.463999184285, "chainID": "C", @@ -262300,7 +190660,7 @@ } }, { - "pk": 3271, + "pk": 2295, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -262317,16 +190677,16 @@ "protein": "1TWF", "zeta": 35.1054734837994, "sidechain_PHE": null, - "sidechain_LYS": 209, + "sidechain_LYS": 130, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3272, + "next": 2296, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3270, + "prev": 2294, "terminal_flag": false, "phi": -141.002288885711, "chainID": "C", @@ -262361,7 +190721,7 @@ } }, { - "pk": 3272, + "pk": 2296, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -262383,11 +190743,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3273, + "next": 2297, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3271, + "prev": 2295, "terminal_flag": false, "phi": -125.104059746218, "chainID": "C", @@ -262414,7 +190774,7 @@ "bs": 53.0, "a2": 109.907176451044, "a5": 122.383107567565, - "sidechain_LEU": 270, + "sidechain_LEU": 210, "chainIndex": 145, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -262422,7 +190782,7 @@ } }, { - "pk": 3273, + "pk": 2297, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -262444,11 +190804,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3274, + "next": 2298, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3272, + "prev": 2296, "terminal_flag": false, "phi": -98.6241613067304, "chainID": "C", @@ -262466,7 +190826,7 @@ "L3": 1.52479560478124, "a7": 122.953320426839, "L1": 1.32493325811246, - "sidechain_ARG": 163, + "sidechain_ARG": 122, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -262483,7 +190843,7 @@ } }, { - "pk": 3274, + "pk": 2298, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -262500,16 +190860,16 @@ "protein": "1TWF", "zeta": 34.6437078746799, "sidechain_PHE": null, - "sidechain_LYS": 210, + "sidechain_LYS": 131, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3275, + "next": 2299, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3273, + "prev": 2297, "terminal_flag": false, "phi": -48.5659165060246, "chainID": "C", @@ -262544,7 +190904,7 @@ } }, { - "pk": 3275, + "pk": 2299, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -262566,11 +190926,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3276, + "next": 2300, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3274, + "prev": 2298, "terminal_flag": false, "phi": 109.569248845764, "chainID": "C", @@ -262605,7 +190965,7 @@ } }, { - "pk": 3276, + "pk": 2300, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -262627,15 +190987,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3277, + "next": 2301, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3275, + "prev": 2299, "terminal_flag": false, "phi": -76.3653616327498, "chainID": "C", - "sidechain_GLN": 124, + "sidechain_GLN": 97, "ome": -178.927383499161, "chi2": 171.631887479073, "chi3": 17.7669638869029, @@ -262666,7 +191026,7 @@ } }, { - "pk": 3277, + "pk": 2301, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -262688,11 +191048,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3278, + "next": 2302, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3276, + "prev": 2300, "terminal_flag": false, "phi": -130.247442900064, "chainID": "C", @@ -262712,7 +191072,7 @@ "L1": 1.32848711035228, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 237, + "sidechain_GLU": 179, "omep": null, "ss": "E", "a3": 112.015200387603, @@ -262727,7 +191087,7 @@ } }, { - "pk": 3278, + "pk": 2302, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -262749,11 +191109,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3279, + "next": 2303, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3277, + "prev": 2301, "terminal_flag": false, "phi": -155.578434928716, "chainID": "C", @@ -262780,7 +191140,7 @@ "bs": 60.0, "a2": 109.972712319707, "a5": 120.401438750803, - "sidechain_LEU": 271, + "sidechain_LEU": 211, "chainIndex": 151, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -262788,7 +191148,7 @@ } }, { - "pk": 3279, + "pk": 2303, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -262805,16 +191165,16 @@ "protein": "1TWF", "zeta": 33.9885218940989, "sidechain_PHE": null, - "sidechain_LYS": 211, + "sidechain_LYS": 132, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3280, + "next": 2304, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3278, + "prev": 2302, "terminal_flag": false, "phi": -119.712795619377, "chainID": "C", @@ -262849,7 +191209,7 @@ } }, { - "pk": 3280, + "pk": 2304, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -262871,11 +191231,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3281, + "next": 2305, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3279, + "prev": 2303, "terminal_flag": false, "phi": -119.616019423304, "chainID": "C", @@ -262902,7 +191262,7 @@ "bs": 62.0, "a2": 110.111342271096, "a5": 121.625147926614, - "sidechain_LEU": 272, + "sidechain_LEU": 212, "chainIndex": 153, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -262910,7 +191270,7 @@ } }, { - "pk": 3281, + "pk": 2305, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -262930,13 +191290,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 185, + "sidechain_THR": 124, "sidechain_TRP": null, - "next": 3282, + "next": 2306, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3280, + "prev": 2304, "terminal_flag": false, "phi": -151.061808345638, "chainID": "C", @@ -262971,7 +191331,7 @@ } }, { - "pk": 3282, + "pk": 2306, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -262983,7 +191343,7 @@ "psi": 146.139948873711, "oldID": "157", "bg": 56.87, - "sidechain_CYS": 63, + "sidechain_CYS": 45, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3989549374901, @@ -262993,11 +191353,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3283, + "next": 2307, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3281, + "prev": 2305, "terminal_flag": false, "phi": -97.1774437227434, "chainID": "C", @@ -263032,7 +191392,7 @@ } }, { - "pk": 3283, + "pk": 2307, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -263050,15 +191410,15 @@ "zeta": 35.0784920716405, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 233, + "sidechain_VAL": 181, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3284, + "next": 2308, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3282, + "prev": 2306, "terminal_flag": false, "phi": -121.873314124856, "chainID": "C", @@ -263093,7 +191453,7 @@ } }, { - "pk": 3284, + "pk": 2308, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -263115,11 +191475,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3285, + "next": 2309, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3283, + "prev": 2307, "terminal_flag": false, "phi": -66.6115022803971, "chainID": "C", @@ -263154,7 +191514,7 @@ } }, { - "pk": 3285, + "pk": 2309, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -263171,16 +191531,16 @@ "protein": "1TWF", "zeta": 34.3521176542358, "sidechain_PHE": null, - "sidechain_LYS": 212, + "sidechain_LYS": 133, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3286, + "next": 2310, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3284, + "prev": 2308, "terminal_flag": false, "phi": -153.775497419272, "chainID": "C", @@ -263215,7 +191575,7 @@ } }, { - "pk": 3286, + "pk": 2310, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -263232,16 +191592,16 @@ "protein": "1TWF", "zeta": 35.102900069819, "sidechain_PHE": null, - "sidechain_LYS": 213, + "sidechain_LYS": 134, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3287, + "next": 2311, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3285, + "prev": 2309, "terminal_flag": false, "phi": -78.3200126862016, "chainID": "C", @@ -263276,7 +191636,7 @@ } }, { - "pk": 3287, + "pk": 2311, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -263298,11 +191658,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3288, + "next": 2312, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3286, + "prev": 2310, "terminal_flag": false, "phi": -158.250555914881, "chainID": "C", @@ -263337,7 +191697,7 @@ } }, { - "pk": 3288, + "pk": 2312, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -263350,7 +191710,7 @@ "oldID": "163", "bg": 47.27, "sidechain_CYS": null, - "sidechain_ILE": 198, + "sidechain_ILE": 146, "protein": "1TWF", "zeta": 34.2853478255555, "sidechain_PHE": null, @@ -263359,11 +191719,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3289, + "next": 2313, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3287, + "prev": 2311, "terminal_flag": false, "phi": -125.328424063552, "chainID": "C", @@ -263398,7 +191758,7 @@ } }, { - "pk": 3289, + "pk": 2313, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -263420,11 +191780,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3290, + "next": 2314, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3288, + "prev": 2312, "terminal_flag": false, "phi": -61.110735099607, "chainID": "C", @@ -263459,7 +191819,7 @@ } }, { - "pk": 3290, + "pk": 2314, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -263476,16 +191836,16 @@ "protein": "1TWF", "zeta": 34.9224497624305, "sidechain_PHE": null, - "sidechain_LYS": 214, + "sidechain_LYS": 135, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3291, + "next": 2315, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3289, + "prev": 2313, "terminal_flag": false, "phi": -52.8338105521836, "chainID": "C", @@ -263520,7 +191880,7 @@ } }, { - "pk": 3291, + "pk": 2315, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -263542,11 +191902,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3292, + "next": 2316, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3290, + "prev": 2314, "terminal_flag": false, "phi": -87.8926198272284, "chainID": "C", @@ -263566,7 +191926,7 @@ "L1": 1.32888573319142, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 238, + "sidechain_GLU": 180, "omep": null, "ss": "T", "a3": 108.513632675377, @@ -263581,7 +191941,7 @@ } }, { - "pk": 3292, + "pk": 2316, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -263603,11 +191963,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3293, + "next": 2317, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3291, + "prev": 2315, "terminal_flag": false, "phi": -173.577001197606, "chainID": "C", @@ -263636,13 +191996,13 @@ "a5": 120.830779319363, "sidechain_LEU": null, "chainIndex": 165, - "sidechain_HIS": 91, + "sidechain_HIS": 69, "h_bond_energy": 0.0, "a4": 109.717312979969 } }, { - "pk": 3293, + "pk": 2317, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -263664,11 +192024,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3294, + "next": 2318, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3292, + "prev": 2316, "terminal_flag": false, "phi": -52.4893238166694, "chainID": "C", @@ -263703,7 +192063,7 @@ } }, { - "pk": 3294, + "pk": 2318, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -263720,16 +192080,16 @@ "protein": "1TWF", "zeta": 34.2328931365376, "sidechain_PHE": null, - "sidechain_LYS": 215, + "sidechain_LYS": 136, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3295, + "next": 2319, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3293, + "prev": 2317, "terminal_flag": false, "phi": -52.8684108186543, "chainID": "C", @@ -263764,7 +192124,7 @@ } }, { - "pk": 3295, + "pk": 2319, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -263785,12 +192145,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 50, - "next": 3296, + "sidechain_TRP": 18, + "next": 2320, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3294, + "prev": 2318, "terminal_flag": false, "phi": -75.0259368180933, "chainID": "C", @@ -263825,7 +192185,7 @@ } }, { - "pk": 3296, + "pk": 2320, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -263847,11 +192207,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3297, + "next": 2321, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3295, + "prev": 2319, "terminal_flag": false, "phi": -84.4856215847274, "chainID": "C", @@ -263886,11 +192246,11 @@ } }, { - "pk": 3297, + "pk": 2321, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 169, + "sidechain_PRO": 113, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -263908,11 +192268,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3298, + "next": 2322, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3296, + "prev": 2320, "terminal_flag": false, "phi": -76.3930889137951, "chainID": "C", @@ -263947,7 +192307,7 @@ } }, { - "pk": 3298, + "pk": 2322, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -263969,11 +192329,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3299, + "next": 2323, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3297, + "prev": 2321, "terminal_flag": false, "phi": -90.6438764707885, "chainID": "C", @@ -264008,7 +192368,7 @@ } }, { - "pk": 3299, + "pk": 2323, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -264030,11 +192390,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3300, + "next": 2324, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3298, + "prev": 2322, "terminal_flag": false, "phi": -112.869053307794, "chainID": "C", @@ -264069,7 +192429,7 @@ } }, { - "pk": 3300, + "pk": 2324, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -264091,11 +192451,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3301, + "next": 2325, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3299, + "prev": 2323, "terminal_flag": false, "phi": -140.06700894959, "chainID": "C", @@ -264130,7 +192490,7 @@ } }, { - "pk": 3301, + "pk": 2325, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -264143,7 +192503,7 @@ "oldID": "176", "bg": 41.47, "sidechain_CYS": null, - "sidechain_ILE": 199, + "sidechain_ILE": 147, "protein": "1TWF", "zeta": 34.2792486512705, "sidechain_PHE": null, @@ -264152,11 +192512,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3302, + "next": 2326, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3300, + "prev": 2324, "terminal_flag": false, "phi": -142.507205882693, "chainID": "C", @@ -264191,7 +192551,7 @@ } }, { - "pk": 3302, + "pk": 2326, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -264213,11 +192573,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3303, + "next": 2327, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3301, + "prev": 2325, "terminal_flag": false, "phi": -60.9073992627387, "chainID": "C", @@ -264237,7 +192597,7 @@ "L1": 1.32393362222463, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 239, + "sidechain_GLU": 181, "omep": null, "ss": "E", "a3": 107.759787926101, @@ -264252,7 +192612,7 @@ } }, { - "pk": 3303, + "pk": 2327, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -264268,17 +192628,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3668053468324, - "sidechain_PHE": 119, + "sidechain_PHE": 86, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3304, + "next": 2328, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3302, + "prev": 2326, "terminal_flag": false, "phi": -153.460651793213, "chainID": "C", @@ -264313,7 +192673,7 @@ } }, { - "pk": 3304, + "pk": 2328, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -264335,11 +192695,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3305, + "next": 2329, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3303, + "prev": 2327, "terminal_flag": false, "phi": -155.445406297696, "chainID": "C", @@ -264359,7 +192719,7 @@ "L1": 1.32657471186115, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 240, + "sidechain_GLU": 182, "omep": null, "ss": "E", "a3": 112.107848139694, @@ -264374,7 +192734,7 @@ } }, { - "pk": 3305, + "pk": 2329, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -264396,11 +192756,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3306, + "next": 2330, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3304, + "prev": 2328, "terminal_flag": false, "phi": -157.078161858478, "chainID": "C", @@ -264419,7 +192779,7 @@ "a7": 123.487452241316, "L1": 1.32295392743904, "sidechain_ARG": null, - "sidechain_TYR": 96, + "sidechain_TYR": 53, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -264435,14 +192795,14 @@ } }, { - "pk": 3306, + "pk": 2330, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 204, + "sidechain_ASP": 151, "a6": 117.588792677277, "psi": 55.0135159720373, "oldID": "181", @@ -264457,11 +192817,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3307, + "next": 2331, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3305, + "prev": 2329, "terminal_flag": false, "phi": 61.3272560006172, "chainID": "C", @@ -264496,11 +192856,11 @@ } }, { - "pk": 3307, + "pk": 2331, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 170, + "sidechain_PRO": 114, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -264518,11 +192878,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3308, + "next": 2332, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3306, + "prev": 2330, "terminal_flag": false, "phi": -47.2908000274261, "chainID": "C", @@ -264557,7 +192917,7 @@ } }, { - "pk": 3308, + "pk": 2332, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -264578,12 +192938,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 51, - "next": 3309, + "sidechain_TRP": 19, + "next": 2333, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3307, + "prev": 2331, "terminal_flag": false, "phi": -97.4266859992569, "chainID": "C", @@ -264618,12 +192978,12 @@ } }, { - "pk": 3309, + "pk": 2333, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 145, + "sidechain_ASN": 96, "chain": "1TWFC", "sidechain_ASP": null, "a6": 116.235242113688, @@ -264640,11 +193000,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3310, + "next": 2334, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3308, + "prev": 2332, "terminal_flag": false, "phi": -71.1490867782708, "chainID": "C", @@ -264679,7 +193039,7 @@ } }, { - "pk": 3310, + "pk": 2334, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -264696,16 +193056,16 @@ "protein": "1TWF", "zeta": 33.8294398583135, "sidechain_PHE": null, - "sidechain_LYS": 216, + "sidechain_LYS": 137, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3311, + "next": 2335, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3309, + "prev": 2333, "terminal_flag": false, "phi": -77.7214842891693, "chainID": "C", @@ -264740,7 +193100,7 @@ } }, { - "pk": 3311, + "pk": 2335, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -264762,11 +193122,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3312, + "next": 2336, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3310, + "prev": 2334, "terminal_flag": false, "phi": -69.9959340627608, "chainID": "C", @@ -264793,7 +193153,7 @@ "bs": 56.0, "a2": 110.426183493273, "a5": 120.833171930392, - "sidechain_LEU": 273, + "sidechain_LEU": 213, "chainIndex": 184, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -264801,7 +193161,7 @@ } }, { - "pk": 3312, + "pk": 2336, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -264818,16 +193178,16 @@ "protein": "1TWF", "zeta": 33.9797678381404, "sidechain_PHE": null, - "sidechain_LYS": 217, + "sidechain_LYS": 138, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3313, + "next": 2337, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3311, + "prev": 2335, "terminal_flag": false, "phi": 64.9315931010079, "chainID": "C", @@ -264862,7 +193222,7 @@ } }, { - "pk": 3313, + "pk": 2337, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -264884,11 +193244,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3314, + "next": 2338, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3312, + "prev": 2336, "terminal_flag": false, "phi": -72.0001598317276, "chainID": "C", @@ -264917,13 +193277,13 @@ "a5": 120.434467645317, "sidechain_LEU": null, "chainIndex": 186, - "sidechain_HIS": 92, + "sidechain_HIS": 70, "h_bond_energy": 0.0, "a4": 108.38586706327 } }, { - "pk": 3314, + "pk": 2338, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -264943,13 +193303,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 186, + "sidechain_THR": 125, "sidechain_TRP": null, - "next": 3315, + "next": 2339, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3313, + "prev": 2337, "terminal_flag": false, "phi": -139.638591091764, "chainID": "C", @@ -264984,14 +193344,14 @@ } }, { - "pk": 3315, + "pk": 2339, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 205, + "sidechain_ASP": 152, "a6": 117.177463227905, "psi": 104.002866651033, "oldID": "190", @@ -265006,11 +193366,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3316, + "next": 2340, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3314, + "prev": 2338, "terminal_flag": false, "phi": -109.399691530174, "chainID": "C", @@ -265045,7 +193405,7 @@ } }, { - "pk": 3316, + "pk": 2340, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -265067,11 +193427,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3317, + "next": 2341, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3315, + "prev": 2339, "terminal_flag": false, "phi": -61.8750920611386, "chainID": "C", @@ -265090,7 +193450,7 @@ "a7": 123.619800419353, "L1": 1.3281470757129, "sidechain_ARG": null, - "sidechain_TYR": 97, + "sidechain_TYR": 54, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -265106,7 +193466,7 @@ } }, { - "pk": 3317, + "pk": 2341, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -265127,12 +193487,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 52, - "next": 3318, + "sidechain_TRP": 20, + "next": 2342, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3316, + "prev": 2340, "terminal_flag": false, "phi": -85.491606243406, "chainID": "C", @@ -265167,7 +193527,7 @@ } }, { - "pk": 3318, + "pk": 2342, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -265189,11 +193549,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3319, + "next": 2343, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3317, + "prev": 2341, "terminal_flag": false, "phi": -156.114305702124, "chainID": "C", @@ -265212,7 +193572,7 @@ "a7": 123.299500900333, "L1": 1.32229193678824, "sidechain_ARG": null, - "sidechain_TYR": 98, + "sidechain_TYR": 55, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -265228,7 +193588,7 @@ } }, { - "pk": 3319, + "pk": 2343, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -265250,11 +193610,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3320, + "next": 2344, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3318, + "prev": 2342, "terminal_flag": false, "phi": -116.363073648201, "chainID": "C", @@ -265274,7 +193634,7 @@ "L1": 1.32294828696654, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 241, + "sidechain_GLU": 183, "omep": null, "ss": "S", "a3": 108.877202220225, @@ -265289,7 +193649,7 @@ } }, { - "pk": 3320, + "pk": 2344, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -265311,15 +193671,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3321, + "next": 2345, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3319, + "prev": 2343, "terminal_flag": false, "phi": -124.005851868021, "chainID": "C", - "sidechain_GLN": 125, + "sidechain_GLN": 98, "ome": -178.13147839337, "chi2": 156.200160592639, "chi3": 62.6737058232833, @@ -265350,14 +193710,14 @@ } }, { - "pk": 3321, + "pk": 2345, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 206, + "sidechain_ASP": 153, "a6": 116.433371321076, "psi": 120.313156798872, "oldID": "196", @@ -265372,11 +193732,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3322, + "next": 2346, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3320, + "prev": 2344, "terminal_flag": false, "phi": -141.947848768949, "chainID": "C", @@ -265411,7 +193771,7 @@ } }, { - "pk": 3322, + "pk": 2346, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -265433,11 +193793,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3323, - "sidechain_SER": 165, + "next": 2347, + "sidechain_SER": 119, "bm": 58.0, "xpr": false, - "prev": 3321, + "prev": 2345, "terminal_flag": false, "phi": -56.3263472552866, "chainID": "C", @@ -265472,7 +193832,7 @@ } }, { - "pk": 3323, + "pk": 2347, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -265494,11 +193854,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3324, + "next": 2348, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3322, + "prev": 2346, "terminal_flag": false, "phi": -66.4241349510193, "chainID": "C", @@ -265533,7 +193893,7 @@ } }, { - "pk": 3324, + "pk": 2348, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -265550,16 +193910,16 @@ "protein": "1TWF", "zeta": 34.269985192922, "sidechain_PHE": null, - "sidechain_LYS": 218, + "sidechain_LYS": 139, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3325, + "next": 2349, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3323, + "prev": 2347, "terminal_flag": false, "phi": -62.9450128237647, "chainID": "C", @@ -265594,7 +193954,7 @@ } }, { - "pk": 3325, + "pk": 2349, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -265616,11 +193976,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3326, + "next": 2350, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3324, + "prev": 2348, "terminal_flag": false, "phi": -81.7316403818816, "chainID": "C", @@ -265640,7 +194000,7 @@ "L1": 1.32911084322639, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 242, + "sidechain_GLU": 184, "omep": null, "ss": "H", "a3": 115.946732274734, @@ -265655,7 +194015,7 @@ } }, { - "pk": 3326, + "pk": 2350, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -265676,12 +194036,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 53, - "next": 3327, + "sidechain_TRP": 21, + "next": 2351, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3325, + "prev": 2349, "terminal_flag": false, "phi": -95.3247039549447, "chainID": "C", @@ -265716,11 +194076,11 @@ } }, { - "pk": 3327, + "pk": 2351, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 171, + "sidechain_PRO": 115, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -265738,11 +194098,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3328, + "next": 2352, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3326, + "prev": 2350, "terminal_flag": false, "phi": -50.7916128868927, "chainID": "C", @@ -265777,7 +194137,7 @@ } }, { - "pk": 3328, + "pk": 2352, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -265799,15 +194159,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3329, + "next": 2353, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3327, + "prev": 2351, "terminal_flag": false, "phi": -79.8296171927354, "chainID": "C", - "sidechain_GLN": 126, + "sidechain_GLN": 99, "ome": -179.005972771178, "chi2": 164.98859218915, "chi3": -71.8791089315648, @@ -265838,7 +194198,7 @@ } }, { - "pk": 3329, + "pk": 2353, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -265860,11 +194220,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3330, - "sidechain_SER": 166, + "next": 2354, + "sidechain_SER": 120, "bm": 66.0, "xpr": false, - "prev": 3328, + "prev": 2352, "terminal_flag": false, "phi": -74.5020315513525, "chainID": "C", @@ -265899,7 +194259,7 @@ } }, { - "pk": 3330, + "pk": 2354, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -265916,16 +194276,16 @@ "protein": "1TWF", "zeta": 36.0017029983289, "sidechain_PHE": null, - "sidechain_LYS": 219, + "sidechain_LYS": 140, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3331, + "next": 2355, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 3329, + "prev": 2353, "terminal_flag": false, "phi": -60.6175319973785, "chainID": "C", @@ -265960,12 +194320,12 @@ } }, { - "pk": 3331, + "pk": 2355, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 146, + "sidechain_ASN": 97, "chain": "1TWFC", "sidechain_ASP": null, "a6": 118.083180073863, @@ -265982,11 +194342,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3332, + "next": 2356, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3330, + "prev": 2354, "terminal_flag": false, "phi": -67.4095163776697, "chainID": "C", @@ -266021,7 +194381,7 @@ } }, { - "pk": 3332, + "pk": 2356, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -266033,7 +194393,7 @@ "psi": -24.1694056836049, "oldID": "207", "bg": 82.11, - "sidechain_CYS": 64, + "sidechain_CYS": 46, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3285935990192, @@ -266043,11 +194403,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3333, + "next": 2357, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3331, + "prev": 2355, "terminal_flag": false, "phi": -64.5298646110291, "chainID": "C", @@ -266082,7 +194442,7 @@ } }, { - "pk": 3333, + "pk": 2357, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -266104,11 +194464,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3334, + "next": 2358, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 3332, + "prev": 2356, "terminal_flag": false, "phi": -73.9800774041625, "chainID": "C", @@ -266128,7 +194488,7 @@ "L1": 1.32853516933439, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 243, + "sidechain_GLU": 185, "omep": null, "ss": "T", "a3": 109.655314884664, @@ -266143,7 +194503,7 @@ } }, { - "pk": 3334, + "pk": 2358, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -266165,11 +194525,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3335, + "next": 2359, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 3333, + "prev": 2357, "terminal_flag": false, "phi": -78.6578834435106, "chainID": "C", @@ -266188,7 +194548,7 @@ "a7": 122.290424791808, "L1": 1.32425523864433, "sidechain_ARG": null, - "sidechain_TYR": 99, + "sidechain_TYR": 56, "sidechain_GLU": null, "omep": null, "ss": "T", @@ -266204,7 +194564,7 @@ } }, { - "pk": 3335, + "pk": 2359, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -266226,11 +194586,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3336, + "next": 2360, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 3334, + "prev": 2358, "terminal_flag": false, "phi": -148.984976484732, "chainID": "C", @@ -266250,7 +194610,7 @@ "L1": 1.32704550437911, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 244, + "sidechain_GLU": 186, "omep": null, "ss": "S", "a3": 112.854483845794, @@ -266265,14 +194625,14 @@ } }, { - "pk": 3336, + "pk": 2360, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 207, + "sidechain_ASP": 154, "a6": 117.040536104433, "psi": 119.996439628022, "oldID": "211", @@ -266287,11 +194647,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3337, + "next": 2361, "sidechain_SER": null, "bm": 91.0, "xpr": false, - "prev": 3335, + "prev": 2359, "terminal_flag": false, "phi": -86.3465411523121, "chainID": "C", @@ -266326,11 +194686,11 @@ } }, { - "pk": 3337, + "pk": 2361, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 172, + "sidechain_PRO": 116, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -266348,11 +194708,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3338, + "next": 2362, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 3336, + "prev": 2360, "terminal_flag": false, "phi": -61.6002441240858, "chainID": "C", @@ -266387,11 +194747,11 @@ } }, { - "pk": 3338, + "pk": 2362, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 173, + "sidechain_PRO": 117, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -266409,11 +194769,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3339, + "next": 2363, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 3337, + "prev": 2361, "terminal_flag": false, "phi": -57.871788235173, "chainID": "C", @@ -266448,12 +194808,12 @@ } }, { - "pk": 3339, + "pk": 2363, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 147, + "sidechain_ASN": 98, "chain": "1TWFC", "sidechain_ASP": null, "a6": 114.72772155565, @@ -266470,11 +194830,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3340, + "next": 2364, "sidechain_SER": null, "bm": 107.0, "xpr": false, - "prev": 3338, + "prev": 2362, "terminal_flag": false, "phi": -102.721948640729, "chainID": "C", @@ -266509,7 +194869,7 @@ } }, { - "pk": 3340, + "pk": 2364, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -266531,11 +194891,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3341, + "next": 2365, "sidechain_SER": null, "bm": 112.0, "xpr": false, - "prev": 3339, + "prev": 2363, "terminal_flag": false, "phi": -29.605335584702, "chainID": "C", @@ -266555,7 +194915,7 @@ "L1": 1.33091190940628, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 245, + "sidechain_GLU": 187, "omep": null, "ss": "S", "a3": 116.416879803541, @@ -266570,7 +194930,7 @@ } }, { - "pk": 3341, + "pk": 2365, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -266592,11 +194952,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3342, + "next": 2366, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 3340, + "prev": 2364, "terminal_flag": false, "phi": -61.3173639802097, "chainID": "C", @@ -266631,14 +194991,14 @@ } }, { - "pk": 3342, + "pk": 2366, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 208, + "sidechain_ASP": 155, "a6": 117.358119450899, "psi": 122.945530329246, "oldID": "217", @@ -266653,11 +195013,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3343, + "next": 2367, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 3341, + "prev": 2365, "terminal_flag": false, "phi": -44.1039294250332, "chainID": "C", @@ -266692,11 +195052,11 @@ } }, { - "pk": 3343, + "pk": 2367, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 174, + "sidechain_PRO": 118, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -266714,11 +195074,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3344, + "next": 2368, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 3342, + "prev": 2366, "terminal_flag": false, "phi": -73.1849868169963, "chainID": "C", @@ -266753,7 +195113,7 @@ } }, { - "pk": 3344, + "pk": 2368, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -266769,17 +195129,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.6314585523048, - "sidechain_PHE": 120, + "sidechain_PHE": 87, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3345, + "next": 2369, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 3343, + "prev": 2367, "terminal_flag": false, "phi": -46.9385829002169, "chainID": "C", @@ -266814,14 +195174,14 @@ } }, { - "pk": 3345, + "pk": 2369, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 209, + "sidechain_ASP": 156, "a6": 115.701792594071, "psi": 87.2805751770298, "oldID": "220", @@ -266836,11 +195196,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3346, + "next": 2370, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 3344, + "prev": 2368, "terminal_flag": false, "phi": -81.6546029377904, "chainID": "C", @@ -266875,7 +195235,7 @@ } }, { - "pk": 3346, + "pk": 2370, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -266897,11 +195257,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3347, + "next": 2371, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 3345, + "prev": 2369, "terminal_flag": false, "phi": -67.6881558515212, "chainID": "C", @@ -266920,7 +195280,7 @@ "a7": 121.547410082292, "L1": 1.32547357181619, "sidechain_ARG": null, - "sidechain_TYR": 100, + "sidechain_TYR": 57, "sidechain_GLU": null, "omep": null, "ss": "T", @@ -266936,7 +195296,7 @@ } }, { - "pk": 3347, + "pk": 2371, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -266953,16 +195313,16 @@ "protein": "1TWF", "zeta": 33.7493855366081, "sidechain_PHE": null, - "sidechain_LYS": 220, + "sidechain_LYS": 141, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3348, + "next": 2372, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3346, + "prev": 2370, "terminal_flag": false, "phi": -105.405887470244, "chainID": "C", @@ -266997,7 +195357,7 @@ } }, { - "pk": 3348, + "pk": 2372, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -267019,11 +195379,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3349, + "next": 2373, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 3347, + "prev": 2371, "terminal_flag": false, "phi": -54.082421179674, "chainID": "C", @@ -267058,7 +195418,7 @@ } }, { - "pk": 3349, + "pk": 2373, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -267080,15 +195440,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3350, + "next": 2374, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 3348, + "prev": 2372, "terminal_flag": false, "phi": -98.9913550812061, "chainID": "C", - "sidechain_GLN": 127, + "sidechain_GLN": 100, "ome": -178.583060717907, "chi2": -147.484932280754, "chi3": -62.7244972107966, @@ -267119,7 +195479,7 @@ } }, { - "pk": 3350, + "pk": 2374, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -267141,11 +195501,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3351, + "next": 2375, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 3349, + "prev": 2373, "terminal_flag": false, "phi": -98.1432518478011, "chainID": "C", @@ -267180,14 +195540,14 @@ } }, { - "pk": 3351, + "pk": 2375, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 210, + "sidechain_ASP": 157, "a6": 117.825999459038, "psi": 169.914395718851, "oldID": "226", @@ -267202,11 +195562,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3352, + "next": 2376, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 3350, + "prev": 2374, "terminal_flag": false, "phi": -129.48363157275, "chainID": "C", @@ -267241,7 +195601,7 @@ } }, { - "pk": 3352, + "pk": 2376, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -267261,13 +195621,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 187, + "sidechain_THR": 126, "sidechain_TRP": null, - "next": 3353, + "next": 2377, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3351, + "prev": 2375, "terminal_flag": false, "phi": 68.0320493001272, "chainID": "C", @@ -267302,7 +195662,7 @@ } }, { - "pk": 3353, + "pk": 2377, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -267318,17 +195678,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.9065122806775, - "sidechain_PHE": 121, + "sidechain_PHE": 88, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3354, + "next": 2378, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3352, + "prev": 2376, "terminal_flag": false, "phi": -113.908671033753, "chainID": "C", @@ -267363,7 +195723,7 @@ } }, { - "pk": 3354, + "pk": 2378, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -267385,11 +195745,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3355, + "next": 2379, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3353, + "prev": 2377, "terminal_flag": false, "phi": -91.5673816744791, "chainID": "C", @@ -267408,7 +195768,7 @@ "a7": 122.966630737113, "L1": 1.3286356842892, "sidechain_ARG": null, - "sidechain_TYR": 101, + "sidechain_TYR": 58, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -267424,7 +195784,7 @@ } }, { - "pk": 3355, + "pk": 2379, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -267443,14 +195803,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 90, + "sidechain_MET": 63, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3356, + "next": 2380, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3354, + "prev": 2378, "terminal_flag": false, "phi": -98.1197507620356, "chainID": "C", @@ -267485,12 +195845,12 @@ } }, { - "pk": 3356, + "pk": 2380, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 148, + "sidechain_ASN": 99, "chain": "1TWFC", "sidechain_ASP": null, "a6": 116.848119193533, @@ -267507,11 +195867,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3357, + "next": 2381, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3355, + "prev": 2379, "terminal_flag": false, "phi": 174.06147629764, "chainID": "C", @@ -267546,7 +195906,7 @@ } }, { - "pk": 3357, + "pk": 2381, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -267564,15 +195924,15 @@ "zeta": 34.1824021534841, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 234, + "sidechain_VAL": 182, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3358, + "next": 2382, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3356, + "prev": 2380, "terminal_flag": false, "phi": -90.9488040913632, "chainID": "C", @@ -267607,7 +195967,7 @@ } }, { - "pk": 3358, + "pk": 2382, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -267629,11 +195989,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3359, + "next": 2383, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3357, + "prev": 2381, "terminal_flag": false, "phi": -137.085376915565, "chainID": "C", @@ -267653,7 +196013,7 @@ "L1": 1.32534653410494, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 246, + "sidechain_GLU": 188, "omep": null, "ss": "E", "a3": 107.58841680657, @@ -267668,7 +196028,7 @@ } }, { - "pk": 3359, + "pk": 2383, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -267690,11 +196050,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3360, - "sidechain_SER": 167, + "next": 2384, + "sidechain_SER": 121, "bm": 50.0, "xpr": false, - "prev": 3358, + "prev": 2382, "terminal_flag": false, "phi": -78.865835180807, "chainID": "C", @@ -267729,7 +196089,7 @@ } }, { - "pk": 3360, + "pk": 2384, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -267747,15 +196107,15 @@ "zeta": 34.1941208651488, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 235, + "sidechain_VAL": 183, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3361, + "next": 2385, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3359, + "prev": 2383, "terminal_flag": false, "phi": -93.1541271793854, "chainID": "C", @@ -267790,7 +196150,7 @@ } }, { - "pk": 3361, + "pk": 2385, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -267812,11 +196172,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3362, + "next": 2386, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3360, + "prev": 2384, "terminal_flag": false, "phi": 115.419969613487, "chainID": "C", @@ -267851,7 +196211,7 @@ } }, { - "pk": 3362, + "pk": 2386, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -267873,11 +196233,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3363, - "sidechain_SER": 168, + "next": 2387, + "sidechain_SER": 122, "bm": 57.0, "xpr": false, - "prev": 3361, + "prev": 2385, "terminal_flag": false, "phi": -60.9186205110744, "chainID": "C", @@ -267912,7 +196272,7 @@ } }, { - "pk": 3363, + "pk": 2387, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -267925,7 +196285,7 @@ "oldID": "238", "bg": 56.19, "sidechain_CYS": null, - "sidechain_ILE": 200, + "sidechain_ILE": 148, "protein": "1TWF", "zeta": 35.5279149757414, "sidechain_PHE": null, @@ -267934,11 +196294,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3364, + "next": 2388, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3362, + "prev": 2386, "terminal_flag": false, "phi": -150.361169212679, "chainID": "C", @@ -267973,11 +196333,11 @@ } }, { - "pk": 3364, + "pk": 2388, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 175, + "sidechain_PRO": 119, "sidechain_ASN": null, "chain": "1TWFC", "sidechain_ASP": null, @@ -267995,11 +196355,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3365, + "next": 2389, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3363, + "prev": 2387, "terminal_flag": false, "phi": -55.5518990870278, "chainID": "C", @@ -268034,7 +196394,7 @@ } }, { - "pk": 3365, + "pk": 2389, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -268052,15 +196412,15 @@ "zeta": 34.9213916943694, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 236, + "sidechain_VAL": 184, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3366, + "next": 2390, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3364, + "prev": 2388, "terminal_flag": false, "phi": -45.2902309447862, "chainID": "C", @@ -268095,14 +196455,14 @@ } }, { - "pk": 3366, + "pk": 2390, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 211, + "sidechain_ASP": 158, "a6": 116.398978055346, "psi": -32.8784565502451, "oldID": "241", @@ -268117,11 +196477,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3367, + "next": 2391, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3365, + "prev": 2389, "terminal_flag": false, "phi": -55.8168879948744, "chainID": "C", @@ -268156,7 +196516,7 @@ } }, { - "pk": 3367, + "pk": 2391, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -268178,15 +196538,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3368, + "next": 2392, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3366, + "prev": 2390, "terminal_flag": false, "phi": -64.0190452480127, "chainID": "C", - "sidechain_GLN": 128, + "sidechain_GLN": 101, "ome": 179.695894559013, "chi2": -57.5869530371979, "chi3": 63.9857384571512, @@ -268217,7 +196577,7 @@ } }, { - "pk": 3368, + "pk": 2392, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -268235,15 +196595,15 @@ "zeta": 34.3749247768687, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 237, + "sidechain_VAL": 185, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3369, + "next": 2393, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3367, + "prev": 2391, "terminal_flag": false, "phi": -47.6024010752024, "chainID": "C", @@ -268278,7 +196638,7 @@ } }, { - "pk": 3369, + "pk": 2393, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -268296,15 +196656,15 @@ "zeta": 35.4048158164514, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 238, + "sidechain_VAL": 186, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3370, + "next": 2394, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3368, + "prev": 2392, "terminal_flag": false, "phi": -57.9456487446013, "chainID": "C", @@ -268339,7 +196699,7 @@ } }, { - "pk": 3370, + "pk": 2394, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -268357,15 +196717,15 @@ "zeta": 34.3099782436364, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 239, + "sidechain_VAL": 187, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3371, + "next": 2395, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3369, + "prev": 2393, "terminal_flag": false, "phi": -41.3448347313569, "chainID": "C", @@ -268400,7 +196760,7 @@ } }, { - "pk": 3371, + "pk": 2395, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -268422,11 +196782,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3372, + "next": 2396, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3370, + "prev": 2394, "terminal_flag": false, "phi": -56.0940953171683, "chainID": "C", @@ -268444,7 +196804,7 @@ "L3": 1.52616010573481, "a7": 122.653616217989, "L1": 1.3335457416926, - "sidechain_ARG": 164, + "sidechain_ARG": 123, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -268461,7 +196821,7 @@ } }, { - "pk": 3372, + "pk": 2396, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -268483,11 +196843,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3373, + "next": 2397, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3371, + "prev": 2395, "terminal_flag": false, "phi": -64.6131723779696, "chainID": "C", @@ -268522,7 +196882,7 @@ } }, { - "pk": 3373, + "pk": 2397, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -268535,7 +196895,7 @@ "oldID": "248", "bg": 57.3, "sidechain_CYS": null, - "sidechain_ILE": 201, + "sidechain_ILE": 149, "protein": "1TWF", "zeta": 36.18933447728, "sidechain_PHE": null, @@ -268544,11 +196904,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3374, + "next": 2398, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3372, + "prev": 2396, "terminal_flag": false, "phi": -55.092075024538, "chainID": "C", @@ -268583,14 +196943,14 @@ } }, { - "pk": 3374, + "pk": 2398, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 212, + "sidechain_ASP": 159, "a6": 116.592337928205, "psi": -46.8499648881108, "oldID": "249", @@ -268605,11 +196965,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3375, + "next": 2399, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3373, + "prev": 2397, "terminal_flag": false, "phi": -71.962395522419, "chainID": "C", @@ -268644,7 +197004,7 @@ } }, { - "pk": 3375, + "pk": 2399, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -268664,13 +197024,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 188, + "sidechain_THR": 127, "sidechain_TRP": null, - "next": 3376, + "next": 2400, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3374, + "prev": 2398, "terminal_flag": false, "phi": -57.9433320537733, "chainID": "C", @@ -268705,7 +197065,7 @@ } }, { - "pk": 3376, + "pk": 2400, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -268727,11 +197087,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3377, + "next": 2401, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3375, + "prev": 2399, "terminal_flag": false, "phi": -56.2606296256596, "chainID": "C", @@ -268758,7 +197118,7 @@ "bs": 60.0, "a2": 109.576746237599, "a5": 121.517567204961, - "sidechain_LEU": 274, + "sidechain_LEU": 214, "chainIndex": 249, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -268766,7 +197126,7 @@ } }, { - "pk": 3377, + "pk": 2401, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -268788,15 +197148,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3378, + "next": 2402, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3376, + "prev": 2400, "terminal_flag": false, "phi": -59.2701745512229, "chainID": "C", - "sidechain_GLN": 129, + "sidechain_GLN": 102, "ome": 179.48992875763, "chi2": 165.207395785553, "chi3": 60.615646463946, @@ -268827,7 +197187,7 @@ } }, { - "pk": 3378, + "pk": 2402, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -268844,16 +197204,16 @@ "protein": "1TWF", "zeta": 35.1952098246035, "sidechain_PHE": null, - "sidechain_LYS": 221, + "sidechain_LYS": 142, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3379, + "next": 2403, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3377, + "prev": 2401, "terminal_flag": false, "phi": -67.7276187681889, "chainID": "C", @@ -268888,7 +197248,7 @@ } }, { - "pk": 3379, + "pk": 2403, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -268905,16 +197265,16 @@ "protein": "1TWF", "zeta": 35.1251316098636, "sidechain_PHE": null, - "sidechain_LYS": 222, + "sidechain_LYS": 143, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3380, + "next": 2404, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3378, + "prev": 2402, "terminal_flag": false, "phi": -56.4801359718913, "chainID": "C", @@ -268949,7 +197309,7 @@ } }, { - "pk": 3380, + "pk": 2404, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -268967,15 +197327,15 @@ "zeta": 35.109921146197, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 240, + "sidechain_VAL": 188, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3381, + "next": 2405, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3379, + "prev": 2403, "terminal_flag": false, "phi": -53.9179080046391, "chainID": "C", @@ -269010,7 +197370,7 @@ } }, { - "pk": 3381, + "pk": 2405, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -269032,11 +197392,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3382, + "next": 2406, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3380, + "prev": 2404, "terminal_flag": false, "phi": -79.0941249016283, "chainID": "C", @@ -269071,7 +197431,7 @@ } }, { - "pk": 3382, + "pk": 2406, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -269093,11 +197453,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3383, - "sidechain_SER": 169, + "next": 2407, + "sidechain_SER": 123, "bm": 59.0, "xpr": false, - "prev": 3381, + "prev": 2405, "terminal_flag": false, "phi": -56.767364814068, "chainID": "C", @@ -269132,7 +197492,7 @@ } }, { - "pk": 3383, + "pk": 2407, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -269145,7 +197505,7 @@ "oldID": "258", "bg": 62.44, "sidechain_CYS": null, - "sidechain_ILE": 202, + "sidechain_ILE": 150, "protein": "1TWF", "zeta": 33.699509835571, "sidechain_PHE": null, @@ -269154,11 +197514,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3384, + "next": 2408, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3382, + "prev": 2406, "terminal_flag": false, "phi": -86.7618705626818, "chainID": "C", @@ -269193,7 +197553,7 @@ } }, { - "pk": 3384, + "pk": 2408, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -269215,11 +197575,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3385, + "next": 2409, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3383, + "prev": 2407, "terminal_flag": false, "phi": -59.6116830909922, "chainID": "C", @@ -269246,7 +197606,7 @@ "bs": 62.0, "a2": 110.616618868455, "a5": 120.723729014389, - "sidechain_LEU": 275, + "sidechain_LEU": 215, "chainIndex": 257, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -269254,7 +197614,7 @@ } }, { - "pk": 3385, + "pk": 2409, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -269276,11 +197636,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3386, + "next": 2410, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3384, + "prev": 2408, "terminal_flag": false, "phi": -69.5691175713818, "chainID": "C", @@ -269307,7 +197667,7 @@ "bs": 69.0, "a2": 110.009779818972, "a5": 120.843589801287, - "sidechain_LEU": 276, + "sidechain_LEU": 216, "chainIndex": 258, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -269315,7 +197675,7 @@ } }, { - "pk": 3386, + "pk": 2410, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -269337,11 +197697,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3387, + "next": 2411, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 3385, + "prev": 2409, "terminal_flag": false, "phi": -71.6572370287085, "chainID": "C", @@ -269376,7 +197736,7 @@ } }, { - "pk": 3387, + "pk": 2411, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -269398,11 +197758,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3388, + "next": 2412, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 3386, + "prev": 2410, "terminal_flag": false, "phi": -62.3382833939911, "chainID": "C", @@ -269429,7 +197789,7 @@ "bs": 77.0, "a2": 110.234818162733, "a5": 121.00387865961, - "sidechain_LEU": 277, + "sidechain_LEU": 217, "chainIndex": 260, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -269437,7 +197797,7 @@ } }, { - "pk": 3388, + "pk": 2412, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -269457,13 +197817,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 189, + "sidechain_THR": 128, "sidechain_TRP": null, - "next": 3389, + "next": 2413, "sidechain_SER": null, "bm": 96.0, "xpr": false, - "prev": 3387, + "prev": 2411, "terminal_flag": false, "phi": -60.7864620061164, "chainID": "C", @@ -269498,7 +197858,7 @@ } }, { - "pk": 3389, + "pk": 2413, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -269520,15 +197880,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3390, + "next": 2414, "sidechain_SER": null, "bm": 108.0, "xpr": false, - "prev": 3388, + "prev": 2412, "terminal_flag": false, "phi": -72.1718006578947, "chainID": "C", - "sidechain_GLN": 130, + "sidechain_GLN": 103, "ome": 179.217098007878, "chi2": 148.297912645265, "chi3": 66.170252674926, @@ -269559,7 +197919,7 @@ } }, { - "pk": 3390, + "pk": 2414, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -269578,14 +197938,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 91, + "sidechain_MET": 64, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3391, + "next": 2415, "sidechain_SER": null, "bm": 120.0, "xpr": false, - "prev": 3389, + "prev": 2413, "terminal_flag": false, "phi": -67.877570597036, "chainID": "C", @@ -269620,14 +197980,14 @@ } }, { - "pk": 3391, + "pk": 2415, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 213, + "sidechain_ASP": 160, "a6": 116.634899210169, "psi": -171.662341128115, "oldID": "266", @@ -269642,11 +198002,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3392, + "next": 2416, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 3390, + "prev": 2414, "terminal_flag": false, "phi": -86.13800332041, "chainID": "C", @@ -269681,7 +198041,7 @@ } }, { - "pk": 3392, + "pk": 2416, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -269703,15 +198063,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3393, + "next": 2417, "sidechain_SER": null, "bm": 139.0, "xpr": false, - "prev": 3391, + "prev": 2415, "terminal_flag": false, "phi": 61.4095141679179, "chainID": "C", - "sidechain_GLN": 131, + "sidechain_GLN": 104, "ome": 179.288449296639, "chi2": 173.264185264931, "chi3": -53.5448375057562, @@ -269742,14 +198102,14 @@ } }, { - "pk": 3393, + "pk": 2417, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFC", - "sidechain_ASP": 214, + "sidechain_ASP": 161, "a6": null, "psi": null, "oldID": "268", @@ -269768,7 +198128,7 @@ "sidechain_SER": null, "bm": 143.0, "xpr": false, - "prev": 3392, + "prev": 2416, "terminal_flag": true, "phi": -107.565154650888, "chainID": "C", @@ -269803,7 +198163,7 @@ } }, { - "pk": 3394, + "pk": 2418, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -269819,13 +198179,13 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.8301899137308, - "sidechain_PHE": 122, + "sidechain_PHE": 89, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3395, + "next": 2419, "sidechain_SER": null, "bm": 119.0, "xpr": false, @@ -269864,7 +198224,7 @@ } }, { - "pk": 3395, + "pk": 2419, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -269886,11 +198246,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3396, + "next": 2420, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 3394, + "prev": 2418, "terminal_flag": false, "phi": 64.5749990300798, "chainID": "B", @@ -269910,7 +198270,7 @@ "L1": 1.33296348395817, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 247, + "sidechain_GLU": 189, "omep": null, "ss": "-", "a3": 111.740853348996, @@ -269925,14 +198285,14 @@ } }, { - "pk": 3396, + "pk": 2420, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 215, + "sidechain_ASP": 162, "a6": 115.029210155911, "psi": 113.416652770043, "oldID": "20", @@ -269947,11 +198307,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3397, + "next": 2421, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 3395, + "prev": 2419, "terminal_flag": false, "phi": -47.5033265889815, "chainID": "B", @@ -269986,7 +198346,7 @@ } }, { - "pk": 3397, + "pk": 2421, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -270008,11 +198368,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3398, + "next": 2422, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 3396, + "prev": 2420, "terminal_flag": false, "phi": -51.9990421917935, "chainID": "B", @@ -270032,7 +198392,7 @@ "L1": 1.32995953787219, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 248, + "sidechain_GLU": 190, "omep": null, "ss": "T", "a3": 114.006164357553, @@ -270047,7 +198407,7 @@ } }, { - "pk": 3398, + "pk": 2422, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -270069,11 +198429,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3399, - "sidechain_SER": 170, + "next": 2423, + "sidechain_SER": 124, "bm": 70.0, "xpr": false, - "prev": 3397, + "prev": 2421, "terminal_flag": false, "phi": -106.550066476306, "chainID": "B", @@ -270108,7 +198468,7 @@ } }, { - "pk": 3399, + "pk": 2423, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -270130,11 +198490,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3400, + "next": 2424, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3398, + "prev": 2422, "terminal_flag": false, "phi": -81.7132636546175, "chainID": "B", @@ -270169,11 +198529,11 @@ } }, { - "pk": 3400, + "pk": 2424, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 176, + "sidechain_PRO": 120, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -270191,11 +198551,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3401, + "next": 2425, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3399, + "prev": 2423, "terminal_flag": false, "phi": -51.7919072792956, "chainID": "B", @@ -270230,7 +198590,7 @@ } }, { - "pk": 3401, + "pk": 2425, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -270243,7 +198603,7 @@ "oldID": "25", "bg": 64.98, "sidechain_CYS": null, - "sidechain_ILE": 203, + "sidechain_ILE": 151, "protein": "1TWF", "zeta": 34.8561638766863, "sidechain_PHE": null, @@ -270252,11 +198612,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3402, + "next": 2426, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3400, + "prev": 2424, "terminal_flag": false, "phi": -111.531162315197, "chainID": "B", @@ -270291,7 +198651,7 @@ } }, { - "pk": 3402, + "pk": 2426, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -270311,13 +198671,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 190, + "sidechain_THR": 129, "sidechain_TRP": null, - "next": 3403, + "next": 2427, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3401, + "prev": 2425, "terminal_flag": false, "phi": -118.094044679305, "chainID": "B", @@ -270352,7 +198712,7 @@ } }, { - "pk": 3403, + "pk": 2427, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -270374,11 +198734,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3404, + "next": 2428, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3402, + "prev": 2426, "terminal_flag": false, "phi": -46.3568172060735, "chainID": "B", @@ -270413,7 +198773,7 @@ } }, { - "pk": 3404, + "pk": 2428, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -270435,11 +198795,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3405, + "next": 2429, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3403, + "prev": 2427, "terminal_flag": false, "phi": -61.000011382103, "chainID": "B", @@ -270459,7 +198819,7 @@ "L1": 1.33120633298075, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 249, + "sidechain_GLU": 191, "omep": null, "ss": "T", "a3": 111.59363730845, @@ -270474,14 +198834,14 @@ } }, { - "pk": 3405, + "pk": 2429, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 216, + "sidechain_ASP": 163, "a6": 117.157386869714, "psi": -11.7729480135695, "oldID": "29", @@ -270496,11 +198856,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3406, + "next": 2430, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3404, + "prev": 2428, "terminal_flag": false, "phi": -63.5495603208011, "chainID": "B", @@ -270535,7 +198895,7 @@ } }, { - "pk": 3406, + "pk": 2430, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -270557,11 +198917,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3407, - "sidechain_SER": 171, + "next": 2431, + "sidechain_SER": 125, "bm": 42.0, "xpr": false, - "prev": 3405, + "prev": 2429, "terminal_flag": false, "phi": -68.9042756831034, "chainID": "B", @@ -270596,7 +198956,7 @@ } }, { - "pk": 3407, + "pk": 2431, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -270617,12 +198977,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 54, - "next": 3408, + "sidechain_TRP": 22, + "next": 2432, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3406, + "prev": 2430, "terminal_flag": false, "phi": -57.3715209946245, "chainID": "B", @@ -270657,7 +199017,7 @@ } }, { - "pk": 3408, + "pk": 2432, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -270679,11 +199039,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3409, + "next": 2433, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3407, + "prev": 2431, "terminal_flag": false, "phi": -61.3473622099944, "chainID": "B", @@ -270718,7 +199078,7 @@ } }, { - "pk": 3409, + "pk": 2433, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -270736,15 +199096,15 @@ "zeta": 35.8977697780856, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 241, + "sidechain_VAL": 189, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3410, + "next": 2434, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3408, + "prev": 2432, "terminal_flag": false, "phi": -60.7234020939849, "chainID": "B", @@ -270779,7 +199139,7 @@ } }, { - "pk": 3410, + "pk": 2434, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -270792,7 +199152,7 @@ "oldID": "34", "bg": 34.88, "sidechain_CYS": null, - "sidechain_ILE": 204, + "sidechain_ILE": 152, "protein": "1TWF", "zeta": 34.1826091887121, "sidechain_PHE": null, @@ -270801,11 +199161,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3411, + "next": 2435, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3409, + "prev": 2433, "terminal_flag": false, "phi": -70.2909412750019, "chainID": "B", @@ -270840,7 +199200,7 @@ } }, { - "pk": 3411, + "pk": 2435, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -270862,11 +199222,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3412, - "sidechain_SER": 172, + "next": 2436, + "sidechain_SER": 126, "bm": 35.0, "xpr": false, - "prev": 3410, + "prev": 2434, "terminal_flag": false, "phi": -58.3595332636011, "chainID": "B", @@ -270901,7 +199261,7 @@ } }, { - "pk": 3412, + "pk": 2436, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -270923,11 +199283,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3413, + "next": 2437, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3411, + "prev": 2435, "terminal_flag": false, "phi": -62.1057028796786, "chainID": "B", @@ -270962,7 +199322,7 @@ } }, { - "pk": 3413, + "pk": 2437, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -270978,17 +199338,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.5010362113581, - "sidechain_PHE": 123, + "sidechain_PHE": 90, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3414, + "next": 2438, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3412, + "prev": 2436, "terminal_flag": false, "phi": -58.4582917013807, "chainID": "B", @@ -271023,7 +199383,7 @@ } }, { - "pk": 3414, + "pk": 2438, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -271039,17 +199399,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.8480495918575, - "sidechain_PHE": 124, + "sidechain_PHE": 91, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3415, + "next": 2439, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3413, + "prev": 2437, "terminal_flag": false, "phi": -68.5526448844122, "chainID": "B", @@ -271084,7 +199444,7 @@ } }, { - "pk": 3415, + "pk": 2439, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -271106,11 +199466,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3416, + "next": 2440, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3414, + "prev": 2438, "terminal_flag": false, "phi": -73.8290646185582, "chainID": "B", @@ -271128,7 +199488,7 @@ "L3": 1.53451057661797, "a7": 122.967728626252, "L1": 1.32680544958797, - "sidechain_ARG": 165, + "sidechain_ARG": 124, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -271145,7 +199505,7 @@ } }, { - "pk": 3416, + "pk": 2440, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -271167,11 +199527,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3417, + "next": 2441, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3415, + "prev": 2439, "terminal_flag": false, "phi": -84.6626498882233, "chainID": "B", @@ -271191,7 +199551,7 @@ "L1": 1.32787427968175, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 250, + "sidechain_GLU": 192, "omep": null, "ss": "H", "a3": 115.405349903127, @@ -271206,7 +199566,7 @@ } }, { - "pk": 3417, + "pk": 2441, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -271223,16 +199583,16 @@ "protein": "1TWF", "zeta": 34.1749341793699, "sidechain_PHE": null, - "sidechain_LYS": 223, + "sidechain_LYS": 144, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3418, + "next": 2442, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3416, + "prev": 2440, "terminal_flag": false, "phi": -108.731381688102, "chainID": "B", @@ -271267,7 +199627,7 @@ } }, { - "pk": 3418, + "pk": 2442, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -271289,11 +199649,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3419, + "next": 2443, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3417, + "prev": 2441, "terminal_flag": false, "phi": 70.666204054482, "chainID": "B", @@ -271328,7 +199688,7 @@ } }, { - "pk": 3419, + "pk": 2443, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -271350,11 +199710,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3420, + "next": 2444, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3418, + "prev": 2442, "terminal_flag": false, "phi": -117.961361958061, "chainID": "B", @@ -271381,7 +199741,7 @@ "bs": 43.0, "a2": 109.192445338362, "a5": 119.976200750119, - "sidechain_LEU": 278, + "sidechain_LEU": 218, "chainIndex": 26, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -271389,7 +199749,7 @@ } }, { - "pk": 3420, + "pk": 2444, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -271407,15 +199767,15 @@ "zeta": 34.2500795825455, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 242, + "sidechain_VAL": 190, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3421, + "next": 2445, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3419, + "prev": 2443, "terminal_flag": false, "phi": -138.690256760518, "chainID": "B", @@ -271450,7 +199810,7 @@ } }, { - "pk": 3421, + "pk": 2445, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -271472,11 +199832,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3422, - "sidechain_SER": 173, + "next": 2446, + "sidechain_SER": 127, "bm": 37.0, "xpr": false, - "prev": 3420, + "prev": 2444, "terminal_flag": false, "phi": -61.2595914206994, "chainID": "B", @@ -271511,7 +199871,7 @@ } }, { - "pk": 3422, + "pk": 2446, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -271533,15 +199893,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3423, + "next": 2447, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3421, + "prev": 2445, "terminal_flag": false, "phi": -58.1068863545995, "chainID": "B", - "sidechain_GLN": 132, + "sidechain_GLN": 105, "ome": 179.613689587793, "chi2": 166.917428176627, "chi3": -50.3725730974316, @@ -271572,7 +199932,7 @@ } }, { - "pk": 3423, + "pk": 2447, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -271594,15 +199954,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3424, + "next": 2448, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3422, + "prev": 2446, "terminal_flag": false, "phi": -73.490478889341, "chainID": "B", - "sidechain_GLN": 133, + "sidechain_GLN": 106, "ome": -179.646753918345, "chi2": -62.5691058425447, "chi3": -31.9820793000738, @@ -271633,7 +199993,7 @@ } }, { - "pk": 3424, + "pk": 2448, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -271655,11 +200015,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3425, + "next": 2449, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3423, + "prev": 2447, "terminal_flag": false, "phi": -58.7075122382636, "chainID": "B", @@ -271686,7 +200046,7 @@ "bs": 33.0, "a2": 110.045075897275, "a5": 120.007586476732, - "sidechain_LEU": 279, + "sidechain_LEU": 219, "chainIndex": 31, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -271694,14 +200054,14 @@ } }, { - "pk": 3425, + "pk": 2449, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 217, + "sidechain_ASP": 164, "a6": 117.148652545929, "psi": -38.0315598709927, "oldID": "49", @@ -271716,11 +200076,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3426, + "next": 2450, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3424, + "prev": 2448, "terminal_flag": false, "phi": -54.1509055546038, "chainID": "B", @@ -271755,7 +200115,7 @@ } }, { - "pk": 3426, + "pk": 2450, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -271777,11 +200137,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3427, - "sidechain_SER": 174, + "next": 2451, + "sidechain_SER": 128, "bm": 41.0, "xpr": false, - "prev": 3425, + "prev": 2449, "terminal_flag": false, "phi": -68.9885230254435, "chainID": "B", @@ -271816,7 +200176,7 @@ } }, { - "pk": 3427, + "pk": 2451, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -271832,17 +200192,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.3334642890502, - "sidechain_PHE": 125, + "sidechain_PHE": 92, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3428, + "next": 2452, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3426, + "prev": 2450, "terminal_flag": false, "phi": -64.823829394658, "chainID": "B", @@ -271877,12 +200237,12 @@ } }, { - "pk": 3428, + "pk": 2452, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 149, + "sidechain_ASN": 100, "chain": "1TWFB", "sidechain_ASP": null, "a6": 117.121059945271, @@ -271899,11 +200259,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3429, + "next": 2453, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3427, + "prev": 2451, "terminal_flag": false, "phi": -60.9372649969108, "chainID": "B", @@ -271938,7 +200298,7 @@ } }, { - "pk": 3429, + "pk": 2453, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -271960,15 +200320,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3430, + "next": 2454, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3428, + "prev": 2452, "terminal_flag": false, "phi": -66.8742138568077, "chainID": "B", - "sidechain_GLN": 134, + "sidechain_GLN": 107, "ome": 179.626744777364, "chi2": 63.668801653658, "chi3": 42.0132096216974, @@ -271999,7 +200359,7 @@ } }, { - "pk": 3430, + "pk": 2454, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -272015,17 +200375,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3977222685671, - "sidechain_PHE": 126, + "sidechain_PHE": 93, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3431, + "next": 2455, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3429, + "prev": 2453, "terminal_flag": false, "phi": -64.5204855728837, "chainID": "B", @@ -272060,7 +200420,7 @@ } }, { - "pk": 3431, + "pk": 2455, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -272078,15 +200438,15 @@ "zeta": 34.3700646134377, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 243, + "sidechain_VAL": 191, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3432, + "next": 2456, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3430, + "prev": 2454, "terminal_flag": false, "phi": -64.5964110310519, "chainID": "B", @@ -272121,14 +200481,14 @@ } }, { - "pk": 3432, + "pk": 2456, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 218, + "sidechain_ASP": 165, "a6": 118.171465446275, "psi": -42.350466489485, "oldID": "56", @@ -272143,11 +200503,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3433, + "next": 2457, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3431, + "prev": 2455, "terminal_flag": false, "phi": -73.385015588144, "chainID": "B", @@ -272182,7 +200542,7 @@ } }, { - "pk": 3433, + "pk": 2457, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -272204,11 +200564,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3434, + "next": 2458, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3432, + "prev": 2456, "terminal_flag": false, "phi": -119.01964065234, "chainID": "B", @@ -272227,7 +200587,7 @@ "a7": 122.875575454391, "L1": 1.32539207966755, "sidechain_ARG": null, - "sidechain_TYR": 102, + "sidechain_TYR": 59, "sidechain_GLU": null, "omep": null, "ss": "I", @@ -272243,7 +200603,7 @@ } }, { - "pk": 3434, + "pk": 2458, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -272263,13 +200623,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 191, + "sidechain_THR": 130, "sidechain_TRP": null, - "next": 3435, + "next": 2459, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3433, + "prev": 2457, "terminal_flag": false, "phi": -35.3822638839362, "chainID": "B", @@ -272304,7 +200664,7 @@ } }, { - "pk": 3435, + "pk": 2459, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -272326,11 +200686,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3436, + "next": 2460, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 3434, + "prev": 2458, "terminal_flag": false, "phi": -55.1394945017117, "chainID": "B", @@ -272357,7 +200717,7 @@ "bs": 68.0, "a2": 109.327224431224, "a5": 121.270998507141, - "sidechain_LEU": 280, + "sidechain_LEU": 220, "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -272365,7 +200725,7 @@ } }, { - "pk": 3436, + "pk": 2460, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -272387,15 +200747,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3437, + "next": 2461, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 3435, + "prev": 2459, "terminal_flag": false, "phi": -53.3899698543256, "chainID": "B", - "sidechain_GLN": 135, + "sidechain_GLN": 108, "ome": 179.728443006467, "chi2": 63.9166725794822, "chi3": 64.5353097643652, @@ -272426,14 +200786,14 @@ } }, { - "pk": 3437, + "pk": 2461, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 219, + "sidechain_ASP": 166, "a6": 117.103381807632, "psi": -15.0732057782228, "oldID": "61", @@ -272448,11 +200808,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3438, + "next": 2462, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 3436, + "prev": 2460, "terminal_flag": false, "phi": -78.9783097643196, "chainID": "B", @@ -272487,7 +200847,7 @@ } }, { - "pk": 3438, + "pk": 2462, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -272500,7 +200860,7 @@ "oldID": "62", "bg": 92.12, "sidechain_CYS": null, - "sidechain_ILE": 205, + "sidechain_ILE": 153, "protein": "1TWF", "zeta": 35.0165571790794, "sidechain_PHE": null, @@ -272509,11 +200869,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3439, + "next": 2463, "sidechain_SER": null, "bm": 93.0, "xpr": false, - "prev": 3437, + "prev": 2461, "terminal_flag": false, "phi": -91.0383671825242, "chainID": "B", @@ -272548,7 +200908,7 @@ } }, { - "pk": 3439, + "pk": 2463, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -272561,7 +200921,7 @@ "oldID": "63", "bg": 100.13, "sidechain_CYS": null, - "sidechain_ILE": 206, + "sidechain_ILE": 154, "protein": "1TWF", "zeta": 34.8804567702436, "sidechain_PHE": null, @@ -272570,11 +200930,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3440, + "next": 2464, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 3438, + "prev": 2462, "terminal_flag": false, "phi": -79.3369043165946, "chainID": "B", @@ -272609,7 +200969,7 @@ } }, { - "pk": 3440, + "pk": 2464, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -272621,7 +200981,7 @@ "psi": -29.9595767711006, "oldID": "64", "bg": 109.8, - "sidechain_CYS": 65, + "sidechain_CYS": 47, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.1642296049241, @@ -272631,11 +200991,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3441, + "next": 2465, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 3439, + "prev": 2463, "terminal_flag": false, "phi": -79.4733206443551, "chainID": "B", @@ -272670,7 +201030,7 @@ } }, { - "pk": 3441, + "pk": 2465, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -272692,11 +201052,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3442, + "next": 2466, "sidechain_SER": null, "bm": 121.0, "xpr": false, - "prev": 3440, + "prev": 2464, "terminal_flag": false, "phi": -76.1080842244413, "chainID": "B", @@ -272716,7 +201076,7 @@ "L1": 1.32856203877877, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 251, + "sidechain_GLU": 193, "omep": null, "ss": "T", "a3": 107.857553832138, @@ -272731,14 +201091,14 @@ } }, { - "pk": 3442, + "pk": 2466, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 220, + "sidechain_ASP": 167, "a6": 116.009681017611, "psi": 33.1681322701547, "oldID": "66", @@ -272753,11 +201113,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3443, + "next": 2467, "sidechain_SER": null, "bm": 126.0, "xpr": false, - "prev": 3441, + "prev": 2465, "terminal_flag": false, "phi": 59.7264166523936, "chainID": "B", @@ -272792,7 +201152,7 @@ } }, { - "pk": 3443, + "pk": 2467, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -272814,11 +201174,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3444, - "sidechain_SER": 175, + "next": 2468, + "sidechain_SER": 129, "bm": 130.0, "xpr": false, - "prev": 3442, + "prev": 2466, "terminal_flag": false, "phi": -86.061832041073, "chainID": "B", @@ -272853,7 +201213,7 @@ } }, { - "pk": 3444, + "pk": 2468, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -272873,13 +201233,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 192, + "sidechain_THR": 131, "sidechain_TRP": null, - "next": 3445, + "next": 2469, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 3443, + "prev": 2467, "terminal_flag": false, "phi": -136.644453625915, "chainID": "B", @@ -272914,7 +201274,7 @@ } }, { - "pk": 3445, + "pk": 2469, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -272936,11 +201296,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3446, + "next": 2470, "sidechain_SER": null, "bm": 136.0, "xpr": false, - "prev": 3444, + "prev": 2468, "terminal_flag": false, "phi": -116.572112121258, "chainID": "B", @@ -272967,7 +201327,7 @@ "bs": 135.0, "a2": 109.833757439967, "a5": 120.795986959536, - "sidechain_LEU": 281, + "sidechain_LEU": 221, "chainIndex": 52, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -272975,7 +201335,7 @@ } }, { - "pk": 3446, + "pk": 2470, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -272988,7 +201348,7 @@ "oldID": "70", "bg": 137.89, "sidechain_CYS": null, - "sidechain_ILE": 207, + "sidechain_ILE": 155, "protein": "1TWF", "zeta": 35.1785080641703, "sidechain_PHE": null, @@ -273001,7 +201361,7 @@ "sidechain_SER": null, "bm": 137.0, "xpr": false, - "prev": 3445, + "prev": 2469, "terminal_flag": false, "phi": -65.8177571410921, "chainID": "B", @@ -273036,7 +201396,7 @@ } }, { - "pk": 3447, + "pk": 2471, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -273058,7 +201418,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3448, + "next": 2472, "sidechain_SER": null, "bm": 115.0, "xpr": false, @@ -273082,7 +201442,7 @@ "L1": null, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 252, + "sidechain_GLU": 194, "omep": null, "ss": "-", "a3": 110.211028659157, @@ -273097,7 +201457,7 @@ } }, { - "pk": 3448, + "pk": 2472, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -273110,7 +201470,7 @@ "oldID": "90", "bg": 110.41, "sidechain_CYS": null, - "sidechain_ILE": 208, + "sidechain_ILE": 156, "protein": "1TWF", "zeta": 34.3948518028184, "sidechain_PHE": null, @@ -273119,11 +201479,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3449, + "next": 2473, "sidechain_SER": null, "bm": 110.0, "xpr": false, - "prev": 3447, + "prev": 2471, "terminal_flag": false, "phi": 64.84331438487, "chainID": "B", @@ -273158,7 +201518,7 @@ } }, { - "pk": 3449, + "pk": 2473, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -273180,11 +201540,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3450, - "sidechain_SER": 176, + "next": 2474, + "sidechain_SER": 130, "bm": 105.0, "xpr": false, - "prev": 3448, + "prev": 2472, "terminal_flag": false, "phi": -127.410048434841, "chainID": "B", @@ -273219,7 +201579,7 @@ } }, { - "pk": 3450, + "pk": 2474, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -273235,17 +201595,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.4605876960201, - "sidechain_PHE": 127, + "sidechain_PHE": 94, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3451, + "next": 2475, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 3449, + "prev": 2473, "terminal_flag": false, "phi": -88.1760578181637, "chainID": "B", @@ -273280,7 +201640,7 @@ } }, { - "pk": 3451, + "pk": 2475, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -273302,11 +201662,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3452, + "next": 2476, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 3450, + "prev": 2474, "terminal_flag": false, "phi": -117.970643606172, "chainID": "B", @@ -273341,7 +201701,7 @@ } }, { - "pk": 3452, + "pk": 2476, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -273358,16 +201718,16 @@ "protein": "1TWF", "zeta": 35.0351125478994, "sidechain_PHE": null, - "sidechain_LYS": 224, + "sidechain_LYS": 145, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3453, + "next": 2477, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 3451, + "prev": 2475, "terminal_flag": false, "phi": -71.0009932176976, "chainID": "B", @@ -273402,7 +201762,7 @@ } }, { - "pk": 3453, + "pk": 2477, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -273415,7 +201775,7 @@ "oldID": "95", "bg": 87.46, "sidechain_CYS": null, - "sidechain_ILE": 209, + "sidechain_ILE": 157, "protein": "1TWF", "zeta": 35.1119771811929, "sidechain_PHE": null, @@ -273424,11 +201784,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3454, + "next": 2478, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 3452, + "prev": 2476, "terminal_flag": false, "phi": -123.53009201143, "chainID": "B", @@ -273463,7 +201823,7 @@ } }, { - "pk": 3454, + "pk": 2478, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -273485,11 +201845,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3455, + "next": 2479, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 3453, + "prev": 2477, "terminal_flag": false, "phi": -124.688150705367, "chainID": "B", @@ -273508,7 +201868,7 @@ "a7": 122.719138401764, "L1": 1.32566160654792, "sidechain_ARG": null, - "sidechain_TYR": 103, + "sidechain_TYR": 60, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -273524,7 +201884,7 @@ } }, { - "pk": 3455, + "pk": 2479, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -273542,15 +201902,15 @@ "zeta": 34.2620308382934, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 244, + "sidechain_VAL": 192, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3456, + "next": 2480, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 3454, + "prev": 2478, "terminal_flag": false, "phi": -127.221474872988, "chainID": "B", @@ -273585,7 +201945,7 @@ } }, { - "pk": 3456, + "pk": 2480, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -273605,13 +201965,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 193, + "sidechain_THR": 132, "sidechain_TRP": null, - "next": 3457, + "next": 2481, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 3455, + "prev": 2479, "terminal_flag": false, "phi": -72.0868910803579, "chainID": "B", @@ -273646,7 +202006,7 @@ } }, { - "pk": 3457, + "pk": 2481, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -273663,16 +202023,16 @@ "protein": "1TWF", "zeta": 35.4165216530959, "sidechain_PHE": null, - "sidechain_LYS": 225, + "sidechain_LYS": 146, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3458, + "next": 2482, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 3456, + "prev": 2480, "terminal_flag": false, "phi": -75.9829201039973, "chainID": "B", @@ -273707,11 +202067,11 @@ } }, { - "pk": 3458, + "pk": 2482, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 177, + "sidechain_PRO": 121, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -273729,11 +202089,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3459, + "next": 2483, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 3457, + "prev": 2481, "terminal_flag": false, "phi": -64.0699879131216, "chainID": "B", @@ -273768,7 +202128,7 @@ } }, { - "pk": 3459, + "pk": 2483, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -273787,14 +202147,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 92, + "sidechain_MET": 65, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3460, + "next": 2484, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 3458, + "prev": 2482, "terminal_flag": false, "phi": -131.454893610646, "chainID": "B", @@ -273829,7 +202189,7 @@ } }, { - "pk": 3460, + "pk": 2484, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -273847,15 +202207,15 @@ "zeta": 35.5541942126334, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 245, + "sidechain_VAL": 193, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3461, + "next": 2485, "sidechain_SER": null, "bm": 109.0, "xpr": false, - "prev": 3459, + "prev": 2483, "terminal_flag": false, "phi": -121.468723004397, "chainID": "B", @@ -273890,12 +202250,12 @@ } }, { - "pk": 3461, + "pk": 2485, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 150, + "sidechain_ASN": 101, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.802340351709, @@ -273912,11 +202272,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3462, + "next": 2486, "sidechain_SER": null, "bm": 116.0, "xpr": false, - "prev": 3460, + "prev": 2484, "terminal_flag": false, "phi": -85.7174052854567, "chainID": "B", @@ -273951,7 +202311,7 @@ } }, { - "pk": 3462, + "pk": 2486, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -273973,11 +202333,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3463, + "next": 2487, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 3461, + "prev": 2485, "terminal_flag": false, "phi": -84.445538531088, "chainID": "B", @@ -273997,7 +202357,7 @@ "L1": 1.32807736157822, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 253, + "sidechain_GLU": 195, "omep": null, "ss": "-", "a3": 116.361245923403, @@ -274012,7 +202372,7 @@ } }, { - "pk": 3463, + "pk": 2487, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -274034,11 +202394,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3464, - "sidechain_SER": 177, + "next": 2488, + "sidechain_SER": 131, "bm": 120.0, "xpr": false, - "prev": 3462, + "prev": 2486, "terminal_flag": false, "phi": -115.348942356893, "chainID": "B", @@ -274073,14 +202433,14 @@ } }, { - "pk": 3464, + "pk": 2488, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 221, + "sidechain_ASP": 168, "a6": 116.224859003646, "psi": 51.0135821826059, "oldID": "106", @@ -274095,11 +202455,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3465, + "next": 2489, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 3463, + "prev": 2487, "terminal_flag": false, "phi": 70.6186737472336, "chainID": "B", @@ -274134,7 +202494,7 @@ } }, { - "pk": 3465, + "pk": 2489, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -274156,11 +202516,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3466, + "next": 2490, "sidechain_SER": null, "bm": 113.0, "xpr": false, - "prev": 3464, + "prev": 2488, "terminal_flag": false, "phi": 172.659005747136, "chainID": "B", @@ -274195,7 +202555,7 @@ } }, { - "pk": 3466, + "pk": 2490, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -274213,15 +202573,15 @@ "zeta": 35.8721065833096, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 246, + "sidechain_VAL": 194, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3467, + "next": 2491, "sidechain_SER": null, "bm": 107.0, "xpr": false, - "prev": 3465, + "prev": 2489, "terminal_flag": false, "phi": -65.2076875676725, "chainID": "B", @@ -274256,7 +202616,7 @@ } }, { - "pk": 3467, + "pk": 2491, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -274276,13 +202636,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 194, + "sidechain_THR": 133, "sidechain_TRP": null, - "next": 3468, + "next": 2492, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 3466, + "prev": 2490, "terminal_flag": false, "phi": -71.0665900441413, "chainID": "B", @@ -274317,7 +202677,7 @@ } }, { - "pk": 3468, + "pk": 2492, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -274339,11 +202699,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3469, + "next": 2493, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 3467, + "prev": 2491, "terminal_flag": false, "phi": -113.401966550313, "chainID": "B", @@ -274372,13 +202732,13 @@ "a5": 121.1649746548, "sidechain_LEU": null, "chainIndex": 75, - "sidechain_HIS": 93, + "sidechain_HIS": 71, "h_bond_energy": 0.0, "a4": 109.238813003985 } }, { - "pk": 3469, + "pk": 2493, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -274400,11 +202760,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3470, + "next": 2494, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 3468, + "prev": 2492, "terminal_flag": false, "phi": -77.0778902953515, "chainID": "B", @@ -274439,7 +202799,7 @@ } }, { - "pk": 3470, + "pk": 2494, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -274461,11 +202821,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3471, + "next": 2495, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 3469, + "prev": 2493, "terminal_flag": false, "phi": -103.969120928934, "chainID": "B", @@ -274492,7 +202852,7 @@ "bs": 66.0, "a2": 110.172686597829, "a5": 121.374345280699, - "sidechain_LEU": 282, + "sidechain_LEU": 222, "chainIndex": 77, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -274500,7 +202860,7 @@ } }, { - "pk": 3471, + "pk": 2495, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -274522,11 +202882,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3472, + "next": 2496, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3470, + "prev": 2494, "terminal_flag": false, "phi": -112.498121925171, "chainID": "B", @@ -274545,7 +202905,7 @@ "a7": 121.886232070938, "L1": 1.32352184222013, "sidechain_ARG": null, - "sidechain_TYR": 104, + "sidechain_TYR": 61, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -274561,11 +202921,11 @@ } }, { - "pk": 3472, + "pk": 2496, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 178, + "sidechain_PRO": 122, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -274583,11 +202943,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3473, + "next": 2497, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3471, + "prev": 2495, "terminal_flag": false, "phi": -48.5337256899476, "chainID": "B", @@ -274622,7 +202982,7 @@ } }, { - "pk": 3473, + "pk": 2497, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -274644,15 +203004,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3474, + "next": 2498, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3472, + "prev": 2496, "terminal_flag": false, "phi": -49.9994915127447, "chainID": "B", - "sidechain_GLN": 136, + "sidechain_GLN": 109, "ome": 179.567585381171, "chi2": 42.121656079596, "chi3": 47.7854308546311, @@ -274683,7 +203043,7 @@ } }, { - "pk": 3474, + "pk": 2498, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -274705,11 +203065,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3475, + "next": 2499, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3473, + "prev": 2497, "terminal_flag": false, "phi": -89.4001563237986, "chainID": "B", @@ -274729,7 +203089,7 @@ "L1": 1.32543538742277, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 254, + "sidechain_GLU": 196, "omep": null, "ss": "H", "a3": 111.535964532416, @@ -274744,7 +203104,7 @@ } }, { - "pk": 3475, + "pk": 2499, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -274766,11 +203126,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3476, + "next": 2500, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3474, + "prev": 2498, "terminal_flag": false, "phi": -66.1972316369287, "chainID": "B", @@ -274805,7 +203165,7 @@ } }, { - "pk": 3476, + "pk": 2500, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -274827,11 +203187,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3477, + "next": 2501, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3475, + "prev": 2499, "terminal_flag": false, "phi": -68.6487759629103, "chainID": "B", @@ -274849,7 +203209,7 @@ "L3": 1.53233345492741, "a7": 123.588500735025, "L1": 1.32626334269088, - "sidechain_ARG": 166, + "sidechain_ARG": 125, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -274866,7 +203226,7 @@ } }, { - "pk": 3477, + "pk": 2501, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -274888,11 +203248,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3478, + "next": 2502, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3476, + "prev": 2500, "terminal_flag": false, "phi": -64.1449682937992, "chainID": "B", @@ -274919,7 +203279,7 @@ "bs": 49.0, "a2": 109.403318976377, "a5": 120.443540667142, - "sidechain_LEU": 283, + "sidechain_LEU": 223, "chainIndex": 84, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -274927,7 +203287,7 @@ } }, { - "pk": 3478, + "pk": 2502, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -274949,11 +203309,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3479, + "next": 2503, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3477, + "prev": 2501, "terminal_flag": false, "phi": -74.8845460414538, "chainID": "B", @@ -274971,7 +203331,7 @@ "L3": 1.5333532675801, "a7": 122.743646047456, "L1": 1.3326205317795, - "sidechain_ARG": 167, + "sidechain_ARG": 126, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -274988,12 +203348,12 @@ } }, { - "pk": 3479, + "pk": 2503, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 151, + "sidechain_ASN": 102, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.764367868484, @@ -275010,11 +203370,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3480, + "next": 2504, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3478, + "prev": 2502, "terminal_flag": false, "phi": 56.1408368152144, "chainID": "B", @@ -275049,7 +203409,7 @@ } }, { - "pk": 3480, + "pk": 2504, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -275071,11 +203431,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3481, + "next": 2505, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3479, + "prev": 2503, "terminal_flag": false, "phi": -95.3987589434231, "chainID": "B", @@ -275102,7 +203462,7 @@ "bs": 61.0, "a2": 111.15484768987, "a5": 121.346442233729, - "sidechain_LEU": 284, + "sidechain_LEU": 224, "chainIndex": 87, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -275110,7 +203470,7 @@ } }, { - "pk": 3481, + "pk": 2505, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -275130,13 +203490,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 195, + "sidechain_THR": 134, "sidechain_TRP": null, - "next": 3482, + "next": 2506, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3480, + "prev": 2504, "terminal_flag": false, "phi": -112.665787066191, "chainID": "B", @@ -275171,7 +203531,7 @@ } }, { - "pk": 3482, + "pk": 2506, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -275193,11 +203553,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3483, + "next": 2507, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3481, + "prev": 2505, "terminal_flag": false, "phi": -78.1864337857895, "chainID": "B", @@ -275216,7 +203576,7 @@ "a7": 123.458333009165, "L1": 1.32880439009731, "sidechain_ARG": null, - "sidechain_TYR": 105, + "sidechain_TYR": 62, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -275232,7 +203592,7 @@ } }, { - "pk": 3483, + "pk": 2507, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -275254,11 +203614,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3484, - "sidechain_SER": 178, + "next": 2508, + "sidechain_SER": 132, "bm": 66.0, "xpr": false, - "prev": 3482, + "prev": 2506, "terminal_flag": false, "phi": -122.9860485829, "chainID": "B", @@ -275293,7 +203653,7 @@ } }, { - "pk": 3484, + "pk": 2508, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -275315,11 +203675,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3485, - "sidechain_SER": 179, + "next": 2509, + "sidechain_SER": 133, "bm": 70.0, "xpr": false, - "prev": 3483, + "prev": 2507, "terminal_flag": false, "phi": -141.574130618547, "chainID": "B", @@ -275354,7 +203714,7 @@ } }, { - "pk": 3485, + "pk": 2509, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -275376,11 +203736,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3486, + "next": 2510, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 3484, + "prev": 2508, "terminal_flag": false, "phi": -62.7994428511561, "chainID": "B", @@ -275415,7 +203775,7 @@ } }, { - "pk": 3486, + "pk": 2510, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -275437,11 +203797,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3487, + "next": 2511, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 3485, + "prev": 2509, "terminal_flag": false, "phi": -134.861234573234, "chainID": "B", @@ -275468,7 +203828,7 @@ "bs": 86.0, "a2": 109.23121403309, "a5": 120.749441212344, - "sidechain_LEU": 285, + "sidechain_LEU": 225, "chainIndex": 93, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -275476,7 +203836,7 @@ } }, { - "pk": 3487, + "pk": 2511, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -275492,17 +203852,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.368237734394, - "sidechain_PHE": 128, + "sidechain_PHE": 95, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3488, + "next": 2512, "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 3486, + "prev": 2510, "terminal_flag": false, "phi": -82.9011460852404, "chainID": "B", @@ -275537,7 +203897,7 @@ } }, { - "pk": 3488, + "pk": 2512, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -275555,15 +203915,15 @@ "zeta": 35.1328479192877, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 247, + "sidechain_VAL": 195, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3489, + "next": 2513, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 3487, + "prev": 2511, "terminal_flag": false, "phi": -135.29426721292, "chainID": "B", @@ -275598,14 +203958,14 @@ } }, { - "pk": 3489, + "pk": 2513, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 222, + "sidechain_ASP": 169, "a6": 115.363075292595, "psi": 83.5380180412378, "oldID": "131", @@ -275620,11 +203980,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3490, + "next": 2514, "sidechain_SER": null, "bm": 113.0, "xpr": false, - "prev": 3488, + "prev": 2512, "terminal_flag": false, "phi": -158.13799683654, "chainID": "B", @@ -275659,7 +204019,7 @@ } }, { - "pk": 3490, + "pk": 2514, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -275677,15 +204037,15 @@ "zeta": 34.8132020911384, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 248, + "sidechain_VAL": 196, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3491, + "next": 2515, "sidechain_SER": null, "bm": 121.0, "xpr": false, - "prev": 3489, + "prev": 2513, "terminal_flag": false, "phi": -76.1053929903756, "chainID": "B", @@ -275720,7 +204080,7 @@ } }, { - "pk": 3491, + "pk": 2515, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -275737,16 +204097,16 @@ "protein": "1TWF", "zeta": 34.8799127870752, "sidechain_PHE": null, - "sidechain_LYS": 226, + "sidechain_LYS": 147, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3492, + "next": 2516, "sidechain_SER": null, "bm": 129.0, "xpr": false, - "prev": 3490, + "prev": 2514, "terminal_flag": false, "phi": -126.253089916086, "chainID": "B", @@ -275781,7 +204141,7 @@ } }, { - "pk": 3492, + "pk": 2516, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -275798,16 +204158,16 @@ "protein": "1TWF", "zeta": 35.1118198028342, "sidechain_PHE": null, - "sidechain_LYS": 227, + "sidechain_LYS": 148, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3493, + "next": 2517, "sidechain_SER": null, "bm": 137.0, "xpr": false, - "prev": 3491, + "prev": 2515, "terminal_flag": false, "phi": -83.1666104644634, "chainID": "B", @@ -275842,7 +204202,7 @@ } }, { - "pk": 3493, + "pk": 2517, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -275864,11 +204224,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3494, + "next": 2518, "sidechain_SER": null, "bm": 144.0, "xpr": false, - "prev": 3492, + "prev": 2516, "terminal_flag": false, "phi": -109.607757465898, "chainID": "B", @@ -275886,7 +204246,7 @@ "L3": 1.53115496628769, "a7": 123.285837196687, "L1": 1.32771447428345, - "sidechain_ARG": 168, + "sidechain_ARG": 127, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -275903,7 +204263,7 @@ } }, { - "pk": 3494, + "pk": 2518, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -275923,13 +204283,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 196, + "sidechain_THR": 135, "sidechain_TRP": null, - "next": 3495, + "next": 2519, "sidechain_SER": null, "bm": 151.0, "xpr": false, - "prev": 3493, + "prev": 2517, "terminal_flag": false, "phi": -68.8973649224787, "chainID": "B", @@ -275964,7 +204324,7 @@ } }, { - "pk": 3495, + "pk": 2519, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -275986,11 +204346,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3496, + "next": 2520, "sidechain_SER": null, "bm": 156.0, "xpr": false, - "prev": 3494, + "prev": 2518, "terminal_flag": false, "phi": -131.013241234689, "chainID": "B", @@ -276009,7 +204369,7 @@ "a7": 123.110095114037, "L1": 1.33113637983313, "sidechain_ARG": null, - "sidechain_TYR": 106, + "sidechain_TYR": 63, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -276025,7 +204385,7 @@ } }, { - "pk": 3496, + "pk": 2520, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -276051,7 +204411,7 @@ "sidechain_SER": null, "bm": 156.0, "xpr": false, - "prev": 3495, + "prev": 2519, "terminal_flag": false, "phi": -62.2106568626209, "chainID": "B", @@ -276071,7 +204431,7 @@ "L1": 1.33143616574746, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 255, + "sidechain_GLU": 197, "omep": null, "ss": "-", "a3": 110.390825632034, @@ -276086,7 +204446,7 @@ } }, { - "pk": 3497, + "pk": 2521, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -276103,12 +204463,12 @@ "protein": "1TWF", "zeta": 34.475166232925, "sidechain_PHE": null, - "sidechain_LYS": 228, + "sidechain_LYS": 149, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3498, + "next": 2522, "sidechain_SER": null, "bm": 101.0, "xpr": false, @@ -276147,7 +204507,7 @@ } }, { - "pk": 3498, + "pk": 2522, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -276165,15 +204525,15 @@ "zeta": 33.8188116245429, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 249, + "sidechain_VAL": 197, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3499, + "next": 2523, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 3497, + "prev": 2521, "terminal_flag": false, "phi": 72.7372558366698, "chainID": "B", @@ -276208,7 +204568,7 @@ } }, { - "pk": 3499, + "pk": 2523, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -276224,17 +204584,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.4611950280072, - "sidechain_PHE": 129, + "sidechain_PHE": 96, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3500, + "next": 2524, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 3498, + "prev": 2522, "terminal_flag": false, "phi": -100.968568603755, "chainID": "B", @@ -276269,7 +204629,7 @@ } }, { - "pk": 3500, + "pk": 2524, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -276282,7 +204642,7 @@ "oldID": "167", "bg": 94.55, "sidechain_CYS": null, - "sidechain_ILE": 210, + "sidechain_ILE": 158, "protein": "1TWF", "zeta": 34.6897086094214, "sidechain_PHE": null, @@ -276291,11 +204651,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3501, + "next": 2525, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 3499, + "prev": 2523, "terminal_flag": false, "phi": -136.604219514776, "chainID": "B", @@ -276330,7 +204690,7 @@ } }, { - "pk": 3501, + "pk": 2525, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -276352,11 +204712,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3502, + "next": 2526, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 3500, + "prev": 2524, "terminal_flag": false, "phi": 69.4482063926301, "chainID": "B", @@ -276391,7 +204751,7 @@ } }, { - "pk": 3502, + "pk": 2526, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -276413,11 +204773,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3503, + "next": 2527, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 3501, + "prev": 2525, "terminal_flag": false, "phi": -135.945450438965, "chainID": "B", @@ -276435,7 +204795,7 @@ "L3": 1.52772734635952, "a7": 122.771348008459, "L1": 1.33154663147041, - "sidechain_ARG": 169, + "sidechain_ARG": 128, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -276452,7 +204812,7 @@ } }, { - "pk": 3503, + "pk": 2527, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -276474,11 +204834,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3504, + "next": 2528, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3502, + "prev": 2526, "terminal_flag": false, "phi": -115.587447972934, "chainID": "B", @@ -276505,7 +204865,7 @@ "bs": 59.0, "a2": 110.537410145377, "a5": 120.946600166754, - "sidechain_LEU": 286, + "sidechain_LEU": 226, "chainIndex": 110, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -276513,11 +204873,11 @@ } }, { - "pk": 3504, + "pk": 2528, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 179, + "sidechain_PRO": 123, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -276535,11 +204895,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3505, + "next": 2529, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3503, + "prev": 2527, "terminal_flag": false, "phi": -68.071527555969, "chainID": "B", @@ -276574,7 +204934,7 @@ } }, { - "pk": 3505, + "pk": 2529, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -276587,7 +204947,7 @@ "oldID": "172", "bg": 49.61, "sidechain_CYS": null, - "sidechain_ILE": 211, + "sidechain_ILE": 159, "protein": "1TWF", "zeta": 33.5927382792678, "sidechain_PHE": null, @@ -276596,11 +204956,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3506, + "next": 2530, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3504, + "prev": 2528, "terminal_flag": false, "phi": -98.9346547269459, "chainID": "B", @@ -276635,7 +204995,7 @@ } }, { - "pk": 3506, + "pk": 2530, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -276654,14 +205014,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 93, + "sidechain_MET": 66, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3507, + "next": 2531, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3505, + "prev": 2529, "terminal_flag": false, "phi": -77.2690559293669, "chainID": "B", @@ -276696,7 +205056,7 @@ } }, { - "pk": 3507, + "pk": 2531, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -276718,11 +205078,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3508, + "next": 2532, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3506, + "prev": 2530, "terminal_flag": false, "phi": -48.0438493912611, "chainID": "B", @@ -276749,7 +205109,7 @@ "bs": 44.0, "a2": 111.132767974003, "a5": 121.400967221924, - "sidechain_LEU": 287, + "sidechain_LEU": 227, "chainIndex": 114, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -276757,7 +205117,7 @@ } }, { - "pk": 3508, + "pk": 2532, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -276779,11 +205139,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3509, + "next": 2533, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3507, + "prev": 2531, "terminal_flag": false, "phi": 66.3228348499443, "chainID": "B", @@ -276801,7 +205161,7 @@ "L3": 1.53310423050233, "a7": 122.047032446672, "L1": 1.3250052253278, - "sidechain_ARG": 170, + "sidechain_ARG": 129, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -276818,7 +205178,7 @@ } }, { - "pk": 3509, + "pk": 2533, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -276840,11 +205200,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3510, - "sidechain_SER": 180, + "next": 2534, + "sidechain_SER": 134, "bm": 50.0, "xpr": false, - "prev": 3508, + "prev": 2532, "terminal_flag": false, "phi": -85.623801916267, "chainID": "B", @@ -276879,7 +205239,7 @@ } }, { - "pk": 3510, + "pk": 2534, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -276896,16 +205256,16 @@ "protein": "1TWF", "zeta": 33.8981886337205, "sidechain_PHE": null, - "sidechain_LYS": 229, + "sidechain_LYS": 150, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3511, + "next": 2535, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3509, + "prev": 2533, "terminal_flag": false, "phi": -50.9806017832661, "chainID": "B", @@ -276940,12 +205300,12 @@ } }, { - "pk": 3511, + "pk": 2535, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 152, + "sidechain_ASN": 103, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.853456298726, @@ -276962,11 +205322,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3512, + "next": 2536, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3510, + "prev": 2534, "terminal_flag": false, "phi": -77.67769118117, "chainID": "B", @@ -277001,7 +205361,7 @@ } }, { - "pk": 3512, + "pk": 2536, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -277013,7 +205373,7 @@ "psi": 142.443487759449, "oldID": "179", "bg": 57.07, - "sidechain_CYS": 66, + "sidechain_CYS": 48, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.0418405058147, @@ -277023,11 +205383,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3513, + "next": 2537, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3511, + "prev": 2535, "terminal_flag": false, "phi": -91.7173675947932, "chainID": "B", @@ -277062,7 +205422,7 @@ } }, { - "pk": 3513, + "pk": 2537, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -277084,11 +205444,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3514, + "next": 2538, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3512, + "prev": 2536, "terminal_flag": false, "phi": -59.4787912761172, "chainID": "B", @@ -277107,7 +205467,7 @@ "a7": 122.869880414347, "L1": 1.33359667108422, "sidechain_ARG": null, - "sidechain_TYR": 107, + "sidechain_TYR": 64, "sidechain_GLU": null, "omep": null, "ss": "G", @@ -277123,7 +205483,7 @@ } }, { - "pk": 3514, + "pk": 2538, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -277145,11 +205505,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3515, + "next": 2539, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3513, + "prev": 2537, "terminal_flag": false, "phi": -59.6127894247194, "chainID": "B", @@ -277176,7 +205536,7 @@ "bs": 64.0, "a2": 109.262268120736, "a5": 120.697689737005, - "sidechain_LEU": 288, + "sidechain_LEU": 228, "chainIndex": 121, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -277184,7 +205544,7 @@ } }, { - "pk": 3515, + "pk": 2539, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -277206,11 +205566,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3516, - "sidechain_SER": 181, + "next": 2540, + "sidechain_SER": 135, "bm": 70.0, "xpr": false, - "prev": 3514, + "prev": 2538, "terminal_flag": false, "phi": -49.5438037734136, "chainID": "B", @@ -277245,7 +205605,7 @@ } }, { - "pk": 3516, + "pk": 2540, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -277267,11 +205627,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3517, + "next": 2541, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 3515, + "prev": 2539, "terminal_flag": false, "phi": -97.3744287118936, "chainID": "B", @@ -277291,7 +205651,7 @@ "L1": 1.3258245207524, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 256, + "sidechain_GLU": 198, "omep": null, "ss": "T", "a3": 112.535275542032, @@ -277306,7 +205666,7 @@ } }, { - "pk": 3517, + "pk": 2541, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -277328,11 +205688,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3518, + "next": 2542, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 3516, + "prev": 2540, "terminal_flag": false, "phi": -46.0423326496145, "chainID": "B", @@ -277367,7 +205727,7 @@ } }, { - "pk": 3518, + "pk": 2542, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -277387,13 +205747,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 197, + "sidechain_THR": 136, "sidechain_TRP": null, - "next": 3519, + "next": 2543, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3517, + "prev": 2541, "terminal_flag": false, "phi": -82.3962839309692, "chainID": "B", @@ -277428,7 +205788,7 @@ } }, { - "pk": 3519, + "pk": 2543, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -277450,11 +205810,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3520, + "next": 2544, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3518, + "prev": 2542, "terminal_flag": false, "phi": -62.4499596899372, "chainID": "B", @@ -277474,7 +205834,7 @@ "L1": 1.32574950556837, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 257, + "sidechain_GLU": 199, "omep": null, "ss": "H", "a3": 108.566925936987, @@ -277489,7 +205849,7 @@ } }, { - "pk": 3520, + "pk": 2544, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -277511,11 +205871,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3521, - "sidechain_SER": 182, + "next": 2545, + "sidechain_SER": 136, "bm": 62.0, "xpr": false, - "prev": 3519, + "prev": 2543, "terminal_flag": false, "phi": -81.3094688481898, "chainID": "B", @@ -277550,14 +205910,14 @@ } }, { - "pk": 3521, + "pk": 2545, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 223, + "sidechain_ASP": 170, "a6": 115.490480013951, "psi": -41.8263341596093, "oldID": "188", @@ -277572,11 +205932,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3522, + "next": 2546, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3520, + "prev": 2544, "terminal_flag": false, "phi": -54.1889607004325, "chainID": "B", @@ -277611,7 +205971,7 @@ } }, { - "pk": 3522, + "pk": 2546, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -277633,11 +205993,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3523, + "next": 2547, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3521, + "prev": 2545, "terminal_flag": false, "phi": -60.410112343629, "chainID": "B", @@ -277664,7 +206024,7 @@ "bs": 47.0, "a2": 110.483324695368, "a5": 120.354125602029, - "sidechain_LEU": 289, + "sidechain_LEU": 229, "chainIndex": 129, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -277672,7 +206032,7 @@ } }, { - "pk": 3523, + "pk": 2547, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -277694,11 +206054,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3524, + "next": 2548, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3522, + "prev": 2546, "terminal_flag": false, "phi": -57.9629371223011, "chainID": "B", @@ -277717,7 +206077,7 @@ "a7": 122.678034946, "L1": 1.32879695951029, "sidechain_ARG": null, - "sidechain_TYR": 108, + "sidechain_TYR": 65, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -277733,7 +206093,7 @@ } }, { - "pk": 3524, + "pk": 2548, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -277750,16 +206110,16 @@ "protein": "1TWF", "zeta": 34.5005023150402, "sidechain_PHE": null, - "sidechain_LYS": 230, + "sidechain_LYS": 151, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3525, + "next": 2549, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3523, + "prev": 2547, "terminal_flag": false, "phi": -62.5606239394656, "chainID": "B", @@ -277794,7 +206154,7 @@ } }, { - "pk": 3525, + "pk": 2549, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -277816,11 +206176,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3526, + "next": 2550, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3524, + "prev": 2548, "terminal_flag": false, "phi": -73.9394569768162, "chainID": "B", @@ -277847,7 +206207,7 @@ "bs": 58.0, "a2": 109.78928979957, "a5": 120.285091176117, - "sidechain_LEU": 290, + "sidechain_LEU": 230, "chainIndex": 132, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -277855,7 +206215,7 @@ } }, { - "pk": 3526, + "pk": 2550, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -277872,16 +206232,16 @@ "protein": "1TWF", "zeta": 34.1984328201355, "sidechain_PHE": null, - "sidechain_LYS": 231, + "sidechain_LYS": 152, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3527, + "next": 2551, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3525, + "prev": 2549, "terminal_flag": false, "phi": 58.6443012053603, "chainID": "B", @@ -277916,7 +206276,7 @@ } }, { - "pk": 3527, + "pk": 2551, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -277938,11 +206298,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3528, + "next": 2552, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3526, + "prev": 2550, "terminal_flag": false, "phi": -111.641874390699, "chainID": "B", @@ -277962,7 +206322,7 @@ "L1": 1.33175626064372, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 258, + "sidechain_GLU": 200, "omep": null, "ss": "-", "a3": 108.902018975926, @@ -277977,7 +206337,7 @@ } }, { - "pk": 3528, + "pk": 2552, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -277989,7 +206349,7 @@ "psi": 129.204400294891, "oldID": "195", "bg": 43.15, - "sidechain_CYS": 67, + "sidechain_CYS": 49, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.4698140790534, @@ -277999,11 +206359,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3529, + "next": 2553, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3527, + "prev": 2551, "terminal_flag": false, "phi": -61.7347939180053, "chainID": "B", @@ -278038,11 +206398,11 @@ } }, { - "pk": 3529, + "pk": 2553, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 180, + "sidechain_PRO": 124, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -278060,11 +206420,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3530, + "next": 2554, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3528, + "prev": 2552, "terminal_flag": false, "phi": -66.8105342772204, "chainID": "B", @@ -278099,7 +206459,7 @@ } }, { - "pk": 3530, + "pk": 2554, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -278115,17 +206475,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.5505821307761, - "sidechain_PHE": 130, + "sidechain_PHE": 97, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3531, + "next": 2555, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3529, + "prev": 2553, "terminal_flag": false, "phi": -94.8312053355481, "chainID": "B", @@ -278160,14 +206520,14 @@ } }, { - "pk": 3531, + "pk": 2555, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 224, + "sidechain_ASP": 171, "a6": 116.219241727636, "psi": 127.264323401373, "oldID": "198", @@ -278182,11 +206542,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3532, + "next": 2556, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3530, + "prev": 2554, "terminal_flag": false, "phi": -62.9179054777251, "chainID": "B", @@ -278221,7 +206581,7 @@ } }, { - "pk": 3532, + "pk": 2556, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -278240,14 +206600,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 94, + "sidechain_MET": 67, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3533, + "next": 2557, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3531, + "prev": 2555, "terminal_flag": false, "phi": -78.9447238264865, "chainID": "B", @@ -278282,7 +206642,7 @@ } }, { - "pk": 3533, + "pk": 2557, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -278304,11 +206664,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3534, + "next": 2558, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3532, + "prev": 2556, "terminal_flag": false, "phi": 66.9855917093512, "chainID": "B", @@ -278343,7 +206703,7 @@ } }, { - "pk": 3534, + "pk": 2558, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -278365,11 +206725,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3535, + "next": 2559, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3533, + "prev": 2557, "terminal_flag": false, "phi": -121.854631146357, "chainID": "B", @@ -278404,7 +206764,7 @@ } }, { - "pk": 3535, + "pk": 2559, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -278426,11 +206786,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3536, + "next": 2560, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3534, + "prev": 2558, "terminal_flag": false, "phi": -138.202813383147, "chainID": "B", @@ -278449,7 +206809,7 @@ "a7": 123.286498322146, "L1": 1.32928494136114, "sidechain_ARG": null, - "sidechain_TYR": 109, + "sidechain_TYR": 66, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -278465,7 +206825,7 @@ } }, { - "pk": 3536, + "pk": 2560, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -278481,17 +206841,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.4356000822144, - "sidechain_PHE": 131, + "sidechain_PHE": 98, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3537, + "next": 2561, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3535, + "prev": 2559, "terminal_flag": false, "phi": -118.207399194755, "chainID": "B", @@ -278526,7 +206886,7 @@ } }, { - "pk": 3537, + "pk": 2561, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -278539,7 +206899,7 @@ "oldID": "204", "bg": 39.74, "sidechain_CYS": null, - "sidechain_ILE": 212, + "sidechain_ILE": 160, "protein": "1TWF", "zeta": 34.2379066641848, "sidechain_PHE": null, @@ -278548,11 +206908,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3538, + "next": 2562, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3536, + "prev": 2560, "terminal_flag": false, "phi": -116.296927864126, "chainID": "B", @@ -278587,7 +206947,7 @@ } }, { - "pk": 3538, + "pk": 2562, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -278600,7 +206960,7 @@ "oldID": "205", "bg": 51.12, "sidechain_CYS": null, - "sidechain_ILE": 213, + "sidechain_ILE": 161, "protein": "1TWF", "zeta": 34.6081821525024, "sidechain_PHE": null, @@ -278609,11 +206969,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3539, + "next": 2563, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3537, + "prev": 2561, "terminal_flag": false, "phi": -122.799859074685, "chainID": "B", @@ -278648,12 +207008,12 @@ } }, { - "pk": 3539, + "pk": 2563, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 153, + "sidechain_ASN": 104, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.109716690723, @@ -278670,11 +207030,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3540, + "next": 2564, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3538, + "prev": 2562, "terminal_flag": false, "phi": 52.4837912696116, "chainID": "B", @@ -278709,7 +207069,7 @@ } }, { - "pk": 3540, + "pk": 2564, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -278731,11 +207091,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3541, + "next": 2565, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3539, + "prev": 2563, "terminal_flag": false, "phi": 100.272145318229, "chainID": "B", @@ -278770,7 +207130,7 @@ } }, { - "pk": 3541, + "pk": 2565, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -278792,11 +207152,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3542, - "sidechain_SER": 183, + "next": 2566, + "sidechain_SER": 137, "bm": 40.0, "xpr": false, - "prev": 3540, + "prev": 2564, "terminal_flag": false, "phi": -105.109572388565, "chainID": "B", @@ -278831,7 +207191,7 @@ } }, { - "pk": 3542, + "pk": 2566, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -278853,11 +207213,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3543, + "next": 2567, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3541, + "prev": 2565, "terminal_flag": false, "phi": -71.7217729189735, "chainID": "B", @@ -278877,7 +207237,7 @@ "L1": 1.33007487095255, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 259, + "sidechain_GLU": 201, "omep": null, "ss": "E", "a3": 111.184996130656, @@ -278892,7 +207252,7 @@ } }, { - "pk": 3543, + "pk": 2567, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -278909,16 +207269,16 @@ "protein": "1TWF", "zeta": 34.3075080973632, "sidechain_PHE": null, - "sidechain_LYS": 232, + "sidechain_LYS": 153, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3544, + "next": 2568, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3542, + "prev": 2566, "terminal_flag": false, "phi": -112.911166687238, "chainID": "B", @@ -278953,7 +207313,7 @@ } }, { - "pk": 3544, + "pk": 2568, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -278971,15 +207331,15 @@ "zeta": 35.6470437204588, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 250, + "sidechain_VAL": 198, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3545, + "next": 2569, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3543, + "prev": 2567, "terminal_flag": false, "phi": -107.930648465706, "chainID": "B", @@ -279014,7 +207374,7 @@ } }, { - "pk": 3545, + "pk": 2569, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -279036,11 +207396,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3546, + "next": 2570, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3544, + "prev": 2568, "terminal_flag": false, "phi": -102.54252393434, "chainID": "B", @@ -279067,7 +207427,7 @@ "bs": 46.0, "a2": 110.146292811529, "a5": 121.392356902374, - "sidechain_LEU": 291, + "sidechain_LEU": 231, "chainIndex": 152, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -279075,7 +207435,7 @@ } }, { - "pk": 3546, + "pk": 2570, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -279088,7 +207448,7 @@ "oldID": "213", "bg": 31.12, "sidechain_CYS": null, - "sidechain_ILE": 214, + "sidechain_ILE": 162, "protein": "1TWF", "zeta": 36.3884873900968, "sidechain_PHE": null, @@ -279097,11 +207457,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3547, + "next": 2571, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3545, + "prev": 2569, "terminal_flag": false, "phi": -71.445598910446, "chainID": "B", @@ -279136,7 +207496,7 @@ } }, { - "pk": 3547, + "pk": 2571, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -279158,11 +207518,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3548, + "next": 2572, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 3546, + "prev": 2570, "terminal_flag": false, "phi": -59.3122836260607, "chainID": "B", @@ -279197,7 +207557,7 @@ } }, { - "pk": 3548, + "pk": 2572, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -279219,15 +207579,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3549, + "next": 2573, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3547, + "prev": 2571, "terminal_flag": false, "phi": -99.0601283938195, "chainID": "B", - "sidechain_GLN": 137, + "sidechain_GLN": 110, "ome": -179.517127895141, "chi2": -49.1277822895671, "chi3": 133.21673692479, @@ -279258,7 +207618,7 @@ } }, { - "pk": 3549, + "pk": 2573, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -279280,11 +207640,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3550, + "next": 2574, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 3548, + "prev": 2572, "terminal_flag": false, "phi": -90.8832443253707, "chainID": "B", @@ -279304,7 +207664,7 @@ "L1": 1.33066734629938, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 260, + "sidechain_GLU": 202, "omep": null, "ss": "E", "a3": 110.232622943412, @@ -279319,7 +207679,7 @@ } }, { - "pk": 3550, + "pk": 2574, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -279341,11 +207701,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3551, + "next": 2575, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3549, + "prev": 2573, "terminal_flag": false, "phi": -153.684619419408, "chainID": "B", @@ -279363,7 +207723,7 @@ "L3": 1.52281851661052, "a7": 122.549597762675, "L1": 1.32314880427474, - "sidechain_ARG": 171, + "sidechain_ARG": 130, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -279380,7 +207740,7 @@ } }, { - "pk": 3551, + "pk": 2575, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -279402,11 +207762,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3552, - "sidechain_SER": 184, + "next": 2576, + "sidechain_SER": 138, "bm": 40.0, "xpr": false, - "prev": 3550, + "prev": 2574, "terminal_flag": false, "phi": -67.9996078717252, "chainID": "B", @@ -279441,7 +207801,7 @@ } }, { - "pk": 3552, + "pk": 2576, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -279463,11 +207823,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3553, + "next": 2577, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3551, + "prev": 2575, "terminal_flag": false, "phi": -75.9432643106646, "chainID": "B", @@ -279502,7 +207862,7 @@ } }, { - "pk": 3553, + "pk": 2577, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -279524,11 +207884,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3554, + "next": 2578, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3552, + "prev": 2576, "terminal_flag": false, "phi": -112.751146619343, "chainID": "B", @@ -279563,12 +207923,12 @@ } }, { - "pk": 3554, + "pk": 2578, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 154, + "sidechain_ASN": 105, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.793926101921, @@ -279585,11 +207945,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3555, + "next": 2579, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3553, + "prev": 2577, "terminal_flag": false, "phi": 66.621862914366, "chainID": "B", @@ -279624,7 +207984,7 @@ } }, { - "pk": 3555, + "pk": 2579, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -279637,7 +207997,7 @@ "oldID": "222", "bg": 48.92, "sidechain_CYS": null, - "sidechain_ILE": 215, + "sidechain_ILE": 163, "protein": "1TWF", "zeta": 34.7207415969977, "sidechain_PHE": null, @@ -279646,11 +208006,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3556, + "next": 2580, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3554, + "prev": 2578, "terminal_flag": false, "phi": -127.36101310797, "chainID": "B", @@ -279685,7 +208045,7 @@ } }, { - "pk": 3556, + "pk": 2580, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -279703,15 +208063,15 @@ "zeta": 36.3575143219378, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 251, + "sidechain_VAL": 199, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3557, + "next": 2581, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3555, + "prev": 2579, "terminal_flag": false, "phi": -74.6219373624472, "chainID": "B", @@ -279746,7 +208106,7 @@ } }, { - "pk": 3557, + "pk": 2581, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -279768,15 +208128,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3558, + "next": 2582, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3556, + "prev": 2580, "terminal_flag": false, "phi": -147.284248324699, "chainID": "B", - "sidechain_GLN": 138, + "sidechain_GLN": 111, "ome": -179.818757214112, "chi2": -170.058192810664, "chi3": -73.2755784564885, @@ -279807,7 +208167,7 @@ } }, { - "pk": 3558, + "pk": 2582, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -279825,15 +208185,15 @@ "zeta": 34.7109909809455, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 252, + "sidechain_VAL": 200, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3559, + "next": 2583, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3557, + "prev": 2581, "terminal_flag": false, "phi": -100.999829541172, "chainID": "B", @@ -279868,7 +208228,7 @@ } }, { - "pk": 3559, + "pk": 2583, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -279884,17 +208244,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.5503445019577, - "sidechain_PHE": 132, + "sidechain_PHE": 99, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3560, + "next": 2584, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3558, + "prev": 2582, "terminal_flag": false, "phi": -134.52700511465, "chainID": "B", @@ -279929,7 +208289,7 @@ } }, { - "pk": 3560, + "pk": 2584, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -279946,16 +208306,16 @@ "protein": "1TWF", "zeta": 34.1822412134903, "sidechain_PHE": null, - "sidechain_LYS": 233, + "sidechain_LYS": 154, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3561, + "next": 2585, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3559, + "prev": 2583, "terminal_flag": false, "phi": -74.6952080294346, "chainID": "B", @@ -279990,7 +208350,7 @@ } }, { - "pk": 3561, + "pk": 2585, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -280007,16 +208367,16 @@ "protein": "1TWF", "zeta": 33.7156633936396, "sidechain_PHE": null, - "sidechain_LYS": 234, + "sidechain_LYS": 155, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3562, + "next": 2586, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3560, + "prev": 2584, "terminal_flag": false, "phi": -144.121082577227, "chainID": "B", @@ -280051,7 +208411,7 @@ } }, { - "pk": 3562, + "pk": 2586, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -280073,11 +208433,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3563, + "next": 2587, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 3561, + "prev": 2585, "terminal_flag": false, "phi": -73.2641893535492, "chainID": "B", @@ -280112,7 +208472,7 @@ } }, { - "pk": 3563, + "pk": 2587, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -280134,11 +208494,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3564, + "next": 2588, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3562, + "prev": 2586, "terminal_flag": false, "phi": -46.7593950399484, "chainID": "B", @@ -280173,11 +208533,11 @@ } }, { - "pk": 3564, + "pk": 2588, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 181, + "sidechain_PRO": 125, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -280195,11 +208555,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3565, + "next": 2589, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3563, + "prev": 2587, "terminal_flag": false, "phi": -55.4517845733752, "chainID": "B", @@ -280234,7 +208594,7 @@ } }, { - "pk": 3565, + "pk": 2589, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -280256,11 +208616,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3566, - "sidechain_SER": 185, + "next": 2590, + "sidechain_SER": 139, "bm": 72.0, "xpr": false, - "prev": 3564, + "prev": 2588, "terminal_flag": false, "phi": -57.3284218431662, "chainID": "B", @@ -280295,11 +208655,11 @@ } }, { - "pk": 3566, + "pk": 2590, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 182, + "sidechain_PRO": 126, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -280317,11 +208677,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3567, + "next": 2591, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3565, + "prev": 2589, "terminal_flag": false, "phi": -76.554813249063, "chainID": "B", @@ -280356,7 +208716,7 @@ } }, { - "pk": 3567, + "pk": 2591, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -280369,7 +208729,7 @@ "oldID": "234", "bg": 58.58, "sidechain_CYS": null, - "sidechain_ILE": 216, + "sidechain_ILE": 164, "protein": "1TWF", "zeta": 35.0652762710277, "sidechain_PHE": null, @@ -280378,11 +208738,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3568, + "next": 2592, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3566, + "prev": 2590, "terminal_flag": false, "phi": -103.17245378843, "chainID": "B", @@ -280417,7 +208777,7 @@ } }, { - "pk": 3568, + "pk": 2592, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -280439,11 +208799,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3569, - "sidechain_SER": 186, + "next": 2593, + "sidechain_SER": 140, "bm": 50.0, "xpr": false, - "prev": 3567, + "prev": 2591, "terminal_flag": false, "phi": -100.768223575384, "chainID": "B", @@ -280478,7 +208838,7 @@ } }, { - "pk": 3569, + "pk": 2593, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -280500,11 +208860,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3570, + "next": 2594, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3568, + "prev": 2592, "terminal_flag": false, "phi": -138.937173960554, "chainID": "B", @@ -280533,13 +208893,13 @@ "a5": 120.901340571095, "sidechain_LEU": null, "chainIndex": 176, - "sidechain_HIS": 94, + "sidechain_HIS": 72, "h_bond_energy": 0.0, "a4": 109.565448889506 } }, { - "pk": 3570, + "pk": 2594, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -280557,15 +208917,15 @@ "zeta": 34.7967074266975, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 253, + "sidechain_VAL": 201, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3571, + "next": 2595, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3569, + "prev": 2593, "terminal_flag": false, "phi": -135.456460185483, "chainID": "B", @@ -280600,7 +208960,7 @@ } }, { - "pk": 3571, + "pk": 2595, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -280622,11 +208982,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3572, + "next": 2596, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3570, + "prev": 2594, "terminal_flag": false, "phi": -110.834032030616, "chainID": "B", @@ -280661,7 +209021,7 @@ } }, { - "pk": 3572, + "pk": 2596, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -280683,11 +209043,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3573, + "next": 2597, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3571, + "prev": 2595, "terminal_flag": false, "phi": -115.733137911542, "chainID": "B", @@ -280707,7 +209067,7 @@ "L1": 1.32661360376691, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 261, + "sidechain_GLU": 203, "omep": null, "ss": "E", "a3": 115.655084537777, @@ -280722,7 +209082,7 @@ } }, { - "pk": 3573, + "pk": 2597, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -280735,7 +209095,7 @@ "oldID": "240", "bg": 46.13, "sidechain_CYS": null, - "sidechain_ILE": 217, + "sidechain_ILE": 165, "protein": "1TWF", "zeta": 33.9471261809168, "sidechain_PHE": null, @@ -280744,11 +209104,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3574, + "next": 2598, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3572, + "prev": 2596, "terminal_flag": false, "phi": -162.172130434884, "chainID": "B", @@ -280783,7 +209143,7 @@ } }, { - "pk": 3574, + "pk": 2598, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -280805,11 +209165,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3575, + "next": 2599, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3573, + "prev": 2597, "terminal_flag": false, "phi": -110.852386671801, "chainID": "B", @@ -280827,7 +209187,7 @@ "L3": 1.53449415078882, "a7": 122.852224437741, "L1": 1.32850241191912, - "sidechain_ARG": 172, + "sidechain_ARG": 131, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -280844,7 +209204,7 @@ } }, { - "pk": 3575, + "pk": 2599, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -280866,11 +209226,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3576, - "sidechain_SER": 187, + "next": 2600, + "sidechain_SER": 141, "bm": 77.0, "xpr": false, - "prev": 3574, + "prev": 2598, "terminal_flag": false, "phi": -72.6373056119644, "chainID": "B", @@ -280905,7 +209265,7 @@ } }, { - "pk": 3576, + "pk": 2600, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -280927,11 +209287,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3577, + "next": 2601, "sidechain_SER": null, "bm": 93.0, "xpr": false, - "prev": 3575, + "prev": 2599, "terminal_flag": false, "phi": -160.175601029654, "chainID": "B", @@ -280966,7 +209326,7 @@ } }, { - "pk": 3577, + "pk": 2601, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -280988,11 +209348,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3578, + "next": 2602, "sidechain_SER": null, "bm": 109.0, "xpr": false, - "prev": 3576, + "prev": 2600, "terminal_flag": false, "phi": -105.15182612269, "chainID": "B", @@ -281019,7 +209379,7 @@ "bs": 107.0, "a2": 109.516814708519, "a5": 120.731085395756, - "sidechain_LEU": 292, + "sidechain_LEU": 232, "chainIndex": 184, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -281027,7 +209387,7 @@ } }, { - "pk": 3578, + "pk": 2602, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -281049,11 +209409,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3579, + "next": 2603, "sidechain_SER": null, "bm": 123.0, "xpr": false, - "prev": 3577, + "prev": 2601, "terminal_flag": false, "phi": -76.907287154242, "chainID": "B", @@ -281073,7 +209433,7 @@ "L1": 1.33205980030318, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 262, + "sidechain_GLU": 204, "omep": null, "ss": "S", "a3": 112.509167378175, @@ -281088,7 +209448,7 @@ } }, { - "pk": 3579, + "pk": 2603, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -281105,16 +209465,16 @@ "protein": "1TWF", "zeta": 34.5781563276278, "sidechain_PHE": null, - "sidechain_LYS": 235, + "sidechain_LYS": 156, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3580, + "next": 2604, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 3578, + "prev": 2602, "terminal_flag": false, "phi": -108.829828910243, "chainID": "B", @@ -281149,7 +209509,7 @@ } }, { - "pk": 3580, + "pk": 2604, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -281171,11 +209531,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3581, + "next": 2605, "sidechain_SER": null, "bm": 137.0, "xpr": false, - "prev": 3579, + "prev": 2603, "terminal_flag": false, "phi": 83.4761796046524, "chainID": "B", @@ -281210,7 +209570,7 @@ } }, { - "pk": 3581, + "pk": 2605, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -281232,11 +209592,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3582, - "sidechain_SER": 188, + "next": 2606, + "sidechain_SER": 142, "bm": 137.0, "xpr": false, - "prev": 3580, + "prev": 2604, "terminal_flag": false, "phi": -167.400854483663, "chainID": "B", @@ -281271,7 +209631,7 @@ } }, { - "pk": 3582, + "pk": 2606, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -281293,11 +209653,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3583, + "next": 2607, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 3581, + "prev": 2605, "terminal_flag": false, "phi": -123.527720348566, "chainID": "B", @@ -281315,7 +209675,7 @@ "L3": 1.53609035937598, "a7": 122.521758851653, "L1": 1.33021259939718, - "sidechain_ARG": 173, + "sidechain_ARG": 132, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -281332,7 +209692,7 @@ } }, { - "pk": 3583, + "pk": 2607, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -281348,17 +209708,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.8249198086641, - "sidechain_PHE": 133, + "sidechain_PHE": 100, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3584, + "next": 2608, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 3582, + "prev": 2606, "terminal_flag": false, "phi": -65.2215426449427, "chainID": "B", @@ -281393,7 +209753,7 @@ } }, { - "pk": 3584, + "pk": 2608, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -281406,7 +209766,7 @@ "oldID": "251", "bg": 103.17, "sidechain_CYS": null, - "sidechain_ILE": 218, + "sidechain_ILE": 166, "protein": "1TWF", "zeta": 34.9599660073438, "sidechain_PHE": null, @@ -281415,11 +209775,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3585, + "next": 2609, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 3583, + "prev": 2607, "terminal_flag": false, "phi": -84.2604751848771, "chainID": "B", @@ -281454,7 +209814,7 @@ } }, { - "pk": 3585, + "pk": 2609, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -281476,11 +209836,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3586, - "sidechain_SER": 189, + "next": 2610, + "sidechain_SER": 143, "bm": 85.0, "xpr": false, - "prev": 3584, + "prev": 2608, "terminal_flag": false, "phi": -80.6261099970705, "chainID": "B", @@ -281515,7 +209875,7 @@ } }, { - "pk": 3586, + "pk": 2610, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -281535,13 +209895,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 198, + "sidechain_THR": 137, "sidechain_TRP": null, - "next": 3587, + "next": 2611, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3585, + "prev": 2609, "terminal_flag": false, "phi": -88.710171491922, "chainID": "B", @@ -281576,7 +209936,7 @@ } }, { - "pk": 3587, + "pk": 2611, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -281598,11 +209958,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3588, + "next": 2612, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3586, + "prev": 2610, "terminal_flag": false, "phi": -104.7179371943, "chainID": "B", @@ -281629,7 +209989,7 @@ "bs": 48.0, "a2": 110.479988291845, "a5": 120.406198575081, - "sidechain_LEU": 293, + "sidechain_LEU": 233, "chainIndex": 194, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -281637,7 +209997,7 @@ } }, { - "pk": 3588, + "pk": 2612, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -281659,15 +210019,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3589, + "next": 2613, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3587, + "prev": 2611, "terminal_flag": false, "phi": -125.291540490056, "chainID": "B", - "sidechain_GLN": 139, + "sidechain_GLN": 112, "ome": 179.390453571516, "chi2": -164.235447689341, "chi3": -52.472665507699, @@ -281698,7 +210058,7 @@ } }, { - "pk": 3589, + "pk": 2613, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -281716,15 +210076,15 @@ "zeta": 34.1606023268475, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 254, + "sidechain_VAL": 202, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3590, + "next": 2614, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3588, + "prev": 2612, "terminal_flag": false, "phi": -111.591938438317, "chainID": "B", @@ -281759,7 +210119,7 @@ } }, { - "pk": 3590, + "pk": 2614, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -281776,16 +210136,16 @@ "protein": "1TWF", "zeta": 34.9744552952029, "sidechain_PHE": null, - "sidechain_LYS": 236, + "sidechain_LYS": 157, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3591, + "next": 2615, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3589, + "prev": 2613, "terminal_flag": false, "phi": -96.9239792104701, "chainID": "B", @@ -281820,7 +210180,7 @@ } }, { - "pk": 3591, + "pk": 2615, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -281842,11 +210202,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3592, + "next": 2616, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3590, + "prev": 2614, "terminal_flag": false, "phi": -108.232298775609, "chainID": "B", @@ -281873,7 +210233,7 @@ "bs": 53.0, "a2": 110.662556666018, "a5": 120.206576126551, - "sidechain_LEU": 294, + "sidechain_LEU": 234, "chainIndex": 198, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -281881,7 +210241,7 @@ } }, { - "pk": 3592, + "pk": 2616, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -281903,11 +210263,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3593, + "next": 2617, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3591, + "prev": 2615, "terminal_flag": false, "phi": -62.9472992286279, "chainID": "B", @@ -281926,7 +210286,7 @@ "a7": 123.285384829288, "L1": 1.33155686190692, "sidechain_ARG": null, - "sidechain_TYR": 110, + "sidechain_TYR": 67, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -281942,7 +210302,7 @@ } }, { - "pk": 3593, + "pk": 2617, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -281964,11 +210324,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3594, + "next": 2618, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 3592, + "prev": 2616, "terminal_flag": false, "phi": 95.1431900988588, "chainID": "B", @@ -282003,7 +210363,7 @@ } }, { - "pk": 3594, + "pk": 2618, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -282025,11 +210385,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3595, + "next": 2619, "sidechain_SER": null, "bm": 91.0, "xpr": false, - "prev": 3593, + "prev": 2617, "terminal_flag": false, "phi": -101.414119001016, "chainID": "B", @@ -282047,7 +210407,7 @@ "L3": 1.53586042792453, "a7": 122.689351605819, "L1": 1.329924554373, - "sidechain_ARG": 174, + "sidechain_ARG": 133, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -282064,7 +210424,7 @@ } }, { - "pk": 3595, + "pk": 2619, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -282086,11 +210446,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3596, + "next": 2620, "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 3594, + "prev": 2618, "terminal_flag": false, "phi": -53.9744766981629, "chainID": "B", @@ -282110,7 +210470,7 @@ "L1": 1.32882728911316, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 263, + "sidechain_GLU": 205, "omep": null, "ss": "S", "a3": 112.51961271307, @@ -282125,7 +210485,7 @@ } }, { - "pk": 3596, + "pk": 2620, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -282147,11 +210507,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3597, + "next": 2621, "sidechain_SER": null, "bm": 102.0, "xpr": false, - "prev": 3595, + "prev": 2619, "terminal_flag": false, "phi": 107.734148116544, "chainID": "B", @@ -282186,7 +210546,7 @@ } }, { - "pk": 3597, + "pk": 2621, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -282208,11 +210568,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3598, - "sidechain_SER": 190, + "next": 2622, + "sidechain_SER": 144, "bm": 101.0, "xpr": false, - "prev": 3596, + "prev": 2620, "terminal_flag": false, "phi": -136.189643842431, "chainID": "B", @@ -282247,7 +210607,7 @@ } }, { - "pk": 3598, + "pk": 2622, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -282269,11 +210629,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3599, - "sidechain_SER": 191, + "next": 2623, + "sidechain_SER": 145, "bm": 95.0, "xpr": false, - "prev": 3597, + "prev": 2621, "terminal_flag": false, "phi": -69.2455304192102, "chainID": "B", @@ -282308,7 +210668,7 @@ } }, { - "pk": 3599, + "pk": 2623, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -282330,11 +210690,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3600, + "next": 2624, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 3598, + "prev": 2622, "terminal_flag": false, "phi": 54.1073598712938, "chainID": "B", @@ -282369,7 +210729,7 @@ } }, { - "pk": 3600, + "pk": 2624, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -282391,11 +210751,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3601, + "next": 2625, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3599, + "prev": 2623, "terminal_flag": false, "phi": -78.523229337044, "chainID": "B", @@ -282413,7 +210773,7 @@ "L3": 1.53229608574994, "a7": 122.62889703045, "L1": 1.3309293894811, - "sidechain_ARG": 175, + "sidechain_ARG": 134, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -282430,7 +210790,7 @@ } }, { - "pk": 3601, + "pk": 2625, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -282450,13 +210810,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 199, + "sidechain_THR": 138, "sidechain_TRP": null, - "next": 3602, + "next": 2626, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3600, + "prev": 2624, "terminal_flag": false, "phi": -101.718288720403, "chainID": "B", @@ -282491,7 +210851,7 @@ } }, { - "pk": 3602, + "pk": 2626, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -282504,7 +210864,7 @@ "oldID": "269", "bg": 33.33, "sidechain_CYS": null, - "sidechain_ILE": 219, + "sidechain_ILE": 167, "protein": "1TWF", "zeta": 35.0575108813304, "sidechain_PHE": null, @@ -282513,11 +210873,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3603, + "next": 2627, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3601, + "prev": 2625, "terminal_flag": false, "phi": -121.503856398574, "chainID": "B", @@ -282552,7 +210912,7 @@ } }, { - "pk": 3603, + "pk": 2627, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -282569,16 +210929,16 @@ "protein": "1TWF", "zeta": 34.6796425037544, "sidechain_PHE": null, - "sidechain_LYS": 237, + "sidechain_LYS": 158, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3604, + "next": 2628, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3602, + "prev": 2626, "terminal_flag": false, "phi": -129.46808573786, "chainID": "B", @@ -282613,7 +210973,7 @@ } }, { - "pk": 3604, + "pk": 2628, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -282635,11 +210995,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3605, + "next": 2629, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3603, + "prev": 2627, "terminal_flag": false, "phi": -109.979142361387, "chainID": "B", @@ -282674,7 +211034,7 @@ } }, { - "pk": 3605, + "pk": 2629, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -282694,13 +211054,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 200, + "sidechain_THR": 139, "sidechain_TRP": null, - "next": 3606, + "next": 2630, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3604, + "prev": 2628, "terminal_flag": false, "phi": -108.892396076832, "chainID": "B", @@ -282735,7 +211095,7 @@ } }, { - "pk": 3606, + "pk": 2630, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -282757,11 +211117,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3607, + "next": 2631, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3605, + "prev": 2629, "terminal_flag": false, "phi": -93.7081676705942, "chainID": "B", @@ -282788,7 +211148,7 @@ "bs": 49.0, "a2": 109.116055806124, "a5": 120.527098279401, - "sidechain_LEU": 295, + "sidechain_LEU": 235, "chainIndex": 213, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -282796,11 +211156,11 @@ } }, { - "pk": 3607, + "pk": 2631, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 183, + "sidechain_PRO": 127, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -282818,11 +211178,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3608, + "next": 2632, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3606, + "prev": 2630, "terminal_flag": false, "phi": -75.5137791310422, "chainID": "B", @@ -282857,7 +211217,7 @@ } }, { - "pk": 3608, + "pk": 2632, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -282879,11 +211239,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3609, + "next": 2633, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3607, + "prev": 2631, "terminal_flag": false, "phi": 77.1025836463632, "chainID": "B", @@ -282902,7 +211262,7 @@ "a7": 122.161982918978, "L1": 1.33051746293097, "sidechain_ARG": null, - "sidechain_TYR": 111, + "sidechain_TYR": 68, "sidechain_GLU": null, "omep": null, "ss": "T", @@ -282918,7 +211278,7 @@ } }, { - "pk": 3609, + "pk": 2633, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -282931,7 +211291,7 @@ "oldID": "276", "bg": 46.07, "sidechain_CYS": null, - "sidechain_ILE": 220, + "sidechain_ILE": 168, "protein": "1TWF", "zeta": 32.8701084259935, "sidechain_PHE": null, @@ -282940,11 +211300,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3610, + "next": 2634, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3608, + "prev": 2632, "terminal_flag": false, "phi": -104.096561151372, "chainID": "B", @@ -282979,7 +211339,7 @@ } }, { - "pk": 3610, + "pk": 2634, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -282996,16 +211356,16 @@ "protein": "1TWF", "zeta": 33.9198373985855, "sidechain_PHE": null, - "sidechain_LYS": 238, + "sidechain_LYS": 159, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3611, + "next": 2635, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3609, + "prev": 2633, "terminal_flag": false, "phi": -71.8897111389166, "chainID": "B", @@ -283040,7 +211400,7 @@ } }, { - "pk": 3611, + "pk": 2635, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -283062,15 +211422,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3612, + "next": 2636, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3610, + "prev": 2634, "terminal_flag": false, "phi": -176.2307330535, "chainID": "B", - "sidechain_GLN": 140, + "sidechain_GLN": 113, "ome": 179.102847587331, "chi2": 173.184732080279, "chi3": 80.7412976188967, @@ -283101,14 +211461,14 @@ } }, { - "pk": 3612, + "pk": 2636, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 225, + "sidechain_ASP": 172, "a6": 116.213427588525, "psi": 130.28003241777, "oldID": "279", @@ -283123,11 +211483,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3613, + "next": 2637, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3611, + "prev": 2635, "terminal_flag": false, "phi": -75.900084323493, "chainID": "B", @@ -283162,7 +211522,7 @@ } }, { - "pk": 3613, + "pk": 2637, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -283175,7 +211535,7 @@ "oldID": "280", "bg": 44.12, "sidechain_CYS": null, - "sidechain_ILE": 221, + "sidechain_ILE": 169, "protein": "1TWF", "zeta": 34.5863680526173, "sidechain_PHE": null, @@ -283184,11 +211544,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3614, + "next": 2638, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3612, + "prev": 2636, "terminal_flag": false, "phi": -97.8209259610513, "chainID": "B", @@ -283223,11 +211583,11 @@ } }, { - "pk": 3614, + "pk": 2638, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 184, + "sidechain_PRO": 128, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -283245,11 +211605,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3615, + "next": 2639, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3613, + "prev": 2637, "terminal_flag": false, "phi": -51.8397888070607, "chainID": "B", @@ -283284,7 +211644,7 @@ } }, { - "pk": 3615, + "pk": 2639, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -283297,7 +211657,7 @@ "oldID": "282", "bg": 37.41, "sidechain_CYS": null, - "sidechain_ILE": 222, + "sidechain_ILE": 170, "protein": "1TWF", "zeta": 33.5311994964513, "sidechain_PHE": null, @@ -283306,11 +211666,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3616, + "next": 2640, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3614, + "prev": 2638, "terminal_flag": false, "phi": -51.4167728724382, "chainID": "B", @@ -283345,7 +211705,7 @@ } }, { - "pk": 3616, + "pk": 2640, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -283363,15 +211723,15 @@ "zeta": 33.9539154349952, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 255, + "sidechain_VAL": 203, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3617, + "next": 2641, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3615, + "prev": 2639, "terminal_flag": false, "phi": -60.4231071568412, "chainID": "B", @@ -283406,7 +211766,7 @@ } }, { - "pk": 3617, + "pk": 2641, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -283419,7 +211779,7 @@ "oldID": "284", "bg": 31.94, "sidechain_CYS": null, - "sidechain_ILE": 223, + "sidechain_ILE": 171, "protein": "1TWF", "zeta": 33.2914822436051, "sidechain_PHE": null, @@ -283428,11 +211788,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3618, + "next": 2642, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3616, + "prev": 2640, "terminal_flag": false, "phi": -64.3651193887972, "chainID": "B", @@ -283467,7 +211827,7 @@ } }, { - "pk": 3618, + "pk": 2642, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -283480,7 +211840,7 @@ "oldID": "285", "bg": 34.12, "sidechain_CYS": null, - "sidechain_ILE": 224, + "sidechain_ILE": 172, "protein": "1TWF", "zeta": 33.8000837029824, "sidechain_PHE": null, @@ -283489,11 +211849,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3619, + "next": 2643, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3617, + "prev": 2641, "terminal_flag": false, "phi": -56.2178613286937, "chainID": "B", @@ -283528,7 +211888,7 @@ } }, { - "pk": 3619, + "pk": 2643, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -283544,17 +211904,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.9723488026265, - "sidechain_PHE": 134, + "sidechain_PHE": 101, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3620, + "next": 2644, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3618, + "prev": 2642, "terminal_flag": false, "phi": -58.5385651157034, "chainID": "B", @@ -283589,7 +211949,7 @@ } }, { - "pk": 3620, + "pk": 2644, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -283611,11 +211971,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3621, + "next": 2645, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 3619, + "prev": 2643, "terminal_flag": false, "phi": -79.2365107821978, "chainID": "B", @@ -283633,7 +211993,7 @@ "L3": 1.52253482319617, "a7": 121.649800084565, "L1": 1.32876227475418, - "sidechain_ARG": 176, + "sidechain_ARG": 135, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -283650,7 +212010,7 @@ } }, { - "pk": 3621, + "pk": 2645, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -283672,11 +212032,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3622, + "next": 2646, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3620, + "prev": 2644, "terminal_flag": false, "phi": -71.8729004503846, "chainID": "B", @@ -283711,7 +212071,7 @@ } }, { - "pk": 3622, + "pk": 2646, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -283733,11 +212093,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3623, + "next": 2647, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3621, + "prev": 2645, "terminal_flag": false, "phi": -98.5324378281519, "chainID": "B", @@ -283764,7 +212124,7 @@ "bs": 39.0, "a2": 109.523153759421, "a5": 120.746223623443, - "sidechain_LEU": 296, + "sidechain_LEU": 236, "chainIndex": 229, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -283772,7 +212132,7 @@ } }, { - "pk": 3623, + "pk": 2647, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -283794,11 +212154,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3624, + "next": 2648, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3622, + "prev": 2646, "terminal_flag": false, "phi": 93.0845667415957, "chainID": "B", @@ -283833,7 +212193,7 @@ } }, { - "pk": 3624, + "pk": 2648, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -283846,7 +212206,7 @@ "oldID": "291", "bg": 34.79, "sidechain_CYS": null, - "sidechain_ILE": 225, + "sidechain_ILE": 173, "protein": "1TWF", "zeta": 35.084492437337, "sidechain_PHE": null, @@ -283855,11 +212215,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3625, + "next": 2649, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3623, + "prev": 2647, "terminal_flag": false, "phi": -105.167991990301, "chainID": "B", @@ -283894,7 +212254,7 @@ } }, { - "pk": 3625, + "pk": 2649, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -283907,7 +212267,7 @@ "oldID": "292", "bg": 25.7, "sidechain_CYS": null, - "sidechain_ILE": 226, + "sidechain_ILE": 174, "protein": "1TWF", "zeta": 34.5541476454565, "sidechain_PHE": null, @@ -283916,11 +212276,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3626, + "next": 2650, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3624, + "prev": 2648, "terminal_flag": false, "phi": -91.322838742301, "chainID": "B", @@ -283955,11 +212315,11 @@ } }, { - "pk": 3626, + "pk": 2650, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 185, + "sidechain_PRO": 129, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -283977,11 +212337,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3627, + "next": 2651, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3625, + "prev": 2649, "terminal_flag": false, "phi": -64.3087388317787, "chainID": "B", @@ -284016,14 +212376,14 @@ } }, { - "pk": 3627, + "pk": 2651, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 226, + "sidechain_ASP": 173, "a6": 115.586294825282, "psi": -47.4007348734054, "oldID": "294", @@ -284038,11 +212398,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3628, + "next": 2652, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3626, + "prev": 2650, "terminal_flag": false, "phi": -43.6223285071101, "chainID": "B", @@ -284077,7 +212437,7 @@ } }, { - "pk": 3628, + "pk": 2652, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -284099,11 +212459,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3629, + "next": 2653, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3627, + "prev": 2651, "terminal_flag": false, "phi": -49.5637744763777, "chainID": "B", @@ -284138,7 +212498,7 @@ } }, { - "pk": 3629, + "pk": 2653, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -284160,11 +212520,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3630, + "next": 2654, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3628, + "prev": 2652, "terminal_flag": false, "phi": -65.5986272164914, "chainID": "B", @@ -284184,7 +212544,7 @@ "L1": 1.33483393907093, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 264, + "sidechain_GLU": 206, "omep": null, "ss": "H", "a3": 113.506429576251, @@ -284199,7 +212559,7 @@ } }, { - "pk": 3630, + "pk": 2654, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -284212,7 +212572,7 @@ "oldID": "297", "bg": 35.6, "sidechain_CYS": null, - "sidechain_ILE": 227, + "sidechain_ILE": 175, "protein": "1TWF", "zeta": 34.7329642360695, "sidechain_PHE": null, @@ -284221,11 +212581,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3631, + "next": 2655, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3629, + "prev": 2653, "terminal_flag": false, "phi": -65.6871745527975, "chainID": "B", @@ -284260,7 +212620,7 @@ } }, { - "pk": 3631, + "pk": 2655, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -284282,11 +212642,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3632, + "next": 2656, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3630, + "prev": 2654, "terminal_flag": false, "phi": -60.9999315404262, "chainID": "B", @@ -284313,7 +212673,7 @@ "bs": 36.0, "a2": 110.728537185138, "a5": 120.830696159039, - "sidechain_LEU": 297, + "sidechain_LEU": 237, "chainIndex": 238, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -284321,7 +212681,7 @@ } }, { - "pk": 3632, + "pk": 2656, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -284343,11 +212703,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3633, + "next": 2657, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3631, + "prev": 2655, "terminal_flag": false, "phi": -67.873563858474, "chainID": "B", @@ -284367,7 +212727,7 @@ "L1": 1.32390013782217, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 265, + "sidechain_GLU": 207, "omep": null, "ss": "H", "a3": 111.983011652715, @@ -284382,7 +212742,7 @@ } }, { - "pk": 3633, + "pk": 2657, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -284404,11 +212764,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3634, + "next": 2658, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3632, + "prev": 2656, "terminal_flag": false, "phi": -78.8640528392085, "chainID": "B", @@ -284437,13 +212797,13 @@ "a5": 120.832301494794, "sidechain_LEU": null, "chainIndex": 240, - "sidechain_HIS": 95, + "sidechain_HIS": 73, "h_bond_energy": 0.0, "a4": 106.859667731336 } }, { - "pk": 3634, + "pk": 2658, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -284456,7 +212816,7 @@ "oldID": "301", "bg": 39.05, "sidechain_CYS": null, - "sidechain_ILE": 228, + "sidechain_ILE": 176, "protein": "1TWF", "zeta": 35.4765389908121, "sidechain_PHE": null, @@ -284465,11 +212825,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3635, + "next": 2659, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3633, + "prev": 2657, "terminal_flag": false, "phi": -107.231835248142, "chainID": "B", @@ -284504,7 +212864,7 @@ } }, { - "pk": 3635, + "pk": 2659, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -284516,7 +212876,7 @@ "psi": 115.760905149693, "oldID": "302", "bg": 51.02, - "sidechain_CYS": 68, + "sidechain_CYS": 50, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.929929297109, @@ -284526,11 +212886,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3636, + "next": 2660, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3634, + "prev": 2658, "terminal_flag": false, "phi": -98.3532210864543, "chainID": "B", @@ -284565,7 +212925,7 @@ } }, { - "pk": 3636, + "pk": 2660, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -284587,11 +212947,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3637, + "next": 2661, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3635, + "prev": 2659, "terminal_flag": false, "phi": -100.242052436091, "chainID": "B", @@ -284610,7 +212970,7 @@ "a7": 122.708907344043, "L1": 1.32722392844618, "sidechain_ARG": null, - "sidechain_TYR": 112, + "sidechain_TYR": 69, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -284626,14 +212986,14 @@ } }, { - "pk": 3637, + "pk": 2661, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 227, + "sidechain_ASP": 174, "a6": 116.022007964652, "psi": 104.883135217928, "oldID": "304", @@ -284648,11 +213008,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3638, + "next": 2662, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3636, + "prev": 2660, "terminal_flag": false, "phi": -163.41120291136, "chainID": "B", @@ -284687,7 +213047,7 @@ } }, { - "pk": 3638, + "pk": 2662, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -284705,15 +213065,15 @@ "zeta": 34.5421646436901, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 256, + "sidechain_VAL": 204, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3639, + "next": 2663, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 3637, + "prev": 2661, "terminal_flag": false, "phi": -60.9173447507433, "chainID": "B", @@ -284748,12 +213108,12 @@ } }, { - "pk": 3639, + "pk": 2663, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 155, + "sidechain_ASN": 106, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.992762725466, @@ -284770,11 +213130,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3640, + "next": 2664, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3638, + "prev": 2662, "terminal_flag": false, "phi": -96.0890781743444, "chainID": "B", @@ -284809,14 +213169,14 @@ } }, { - "pk": 3640, + "pk": 2664, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 228, + "sidechain_ASP": 175, "a6": 115.459532094529, "psi": 68.3347984731076, "oldID": "307", @@ -284831,11 +213191,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3641, + "next": 2665, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3639, + "prev": 2663, "terminal_flag": false, "phi": -81.5033199322346, "chainID": "B", @@ -284870,7 +213230,7 @@ } }, { - "pk": 3641, + "pk": 2665, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -284891,12 +213251,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 55, - "next": 3642, + "sidechain_TRP": 23, + "next": 2666, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3640, + "prev": 2664, "terminal_flag": false, "phi": -59.6775791739371, "chainID": "B", @@ -284931,7 +213291,7 @@ } }, { - "pk": 3642, + "pk": 2666, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -284953,15 +213313,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3643, + "next": 2667, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3641, + "prev": 2665, "terminal_flag": false, "phi": -73.0624517447973, "chainID": "B", - "sidechain_GLN": 141, + "sidechain_GLN": 114, "ome": -179.247320244763, "chi2": -159.166547290232, "chi3": -57.8108726776219, @@ -284992,7 +213352,7 @@ } }, { - "pk": 3643, + "pk": 2667, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -285011,14 +213371,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 95, + "sidechain_MET": 68, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3644, + "next": 2668, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3642, + "prev": 2666, "terminal_flag": false, "phi": -68.2276404440558, "chainID": "B", @@ -285053,7 +213413,7 @@ } }, { - "pk": 3644, + "pk": 2668, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -285075,11 +213435,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3645, + "next": 2669, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3643, + "prev": 2667, "terminal_flag": false, "phi": -53.9389416595056, "chainID": "B", @@ -285106,7 +213466,7 @@ "bs": 45.0, "a2": 109.110554934901, "a5": 121.273775368705, - "sidechain_LEU": 298, + "sidechain_LEU": 238, "chainIndex": 251, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -285114,7 +213474,7 @@ } }, { - "pk": 3645, + "pk": 2669, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -285136,11 +213496,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3646, + "next": 2670, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3644, + "prev": 2668, "terminal_flag": false, "phi": -63.0525849239785, "chainID": "B", @@ -285160,7 +213520,7 @@ "L1": 1.32807624971539, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 266, + "sidechain_GLU": 208, "omep": null, "ss": "H", "a3": 109.721096488554, @@ -285175,7 +213535,7 @@ } }, { - "pk": 3646, + "pk": 2670, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -285194,14 +213554,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 96, + "sidechain_MET": 69, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3647, + "next": 2671, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3645, + "prev": 2669, "terminal_flag": false, "phi": -72.6076824979584, "chainID": "B", @@ -285236,7 +213596,7 @@ } }, { - "pk": 3647, + "pk": 2671, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -285258,11 +213618,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3648, + "next": 2672, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3646, + "prev": 2670, "terminal_flag": false, "phi": -90.743898222089, "chainID": "B", @@ -285289,7 +213649,7 @@ "bs": 44.0, "a2": 110.018620430096, "a5": 119.838204233426, - "sidechain_LEU": 299, + "sidechain_LEU": 239, "chainIndex": 254, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -285297,7 +213657,7 @@ } }, { - "pk": 3648, + "pk": 2672, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -285314,16 +213674,16 @@ "protein": "1TWF", "zeta": 33.5969361607776, "sidechain_PHE": null, - "sidechain_LYS": 239, + "sidechain_LYS": 160, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3649, + "next": 2673, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3647, + "prev": 2671, "terminal_flag": false, "phi": -53.1283094392697, "chainID": "B", @@ -285358,11 +213718,11 @@ } }, { - "pk": 3649, + "pk": 2673, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 186, + "sidechain_PRO": 130, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -285380,11 +213740,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3650, + "next": 2674, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3648, + "prev": 2672, "terminal_flag": false, "phi": -65.3780370096587, "chainID": "B", @@ -285419,7 +213779,7 @@ } }, { - "pk": 3650, + "pk": 2674, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -285431,7 +213791,7 @@ "psi": -46.5390508185199, "oldID": "317", "bg": 33.91, - "sidechain_CYS": 69, + "sidechain_CYS": 51, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.8272553754033, @@ -285441,11 +213801,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3651, + "next": 2675, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3649, + "prev": 2673, "terminal_flag": false, "phi": -67.4782418742197, "chainID": "B", @@ -285480,7 +213840,7 @@ } }, { - "pk": 3651, + "pk": 2675, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -285498,15 +213858,15 @@ "zeta": 34.8188692338051, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 257, + "sidechain_VAL": 205, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3652, + "next": 2676, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3650, + "prev": 2674, "terminal_flag": false, "phi": -59.8205308702672, "chainID": "B", @@ -285541,7 +213901,7 @@ } }, { - "pk": 3652, + "pk": 2676, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -285563,11 +213923,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3653, + "next": 2677, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3651, + "prev": 2675, "terminal_flag": false, "phi": -67.2599600622562, "chainID": "B", @@ -285587,7 +213947,7 @@ "L1": 1.32314667074433, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 267, + "sidechain_GLU": 209, "omep": null, "ss": "H", "a3": 109.87530170824, @@ -285602,14 +213962,14 @@ } }, { - "pk": 3653, + "pk": 2677, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 229, + "sidechain_ASP": 176, "a6": 116.816117992514, "psi": -18.8082228712515, "oldID": "320", @@ -285624,11 +213984,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3654, + "next": 2678, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3652, + "prev": 2676, "terminal_flag": false, "phi": -74.2503001759943, "chainID": "B", @@ -285663,7 +214023,7 @@ } }, { - "pk": 3654, + "pk": 2678, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -285685,11 +214045,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3655, + "next": 2679, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3653, + "prev": 2677, "terminal_flag": false, "phi": -121.18662932501, "chainID": "B", @@ -285724,7 +214084,7 @@ } }, { - "pk": 3655, + "pk": 2679, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -285740,17 +214100,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.5732973291442, - "sidechain_PHE": 135, + "sidechain_PHE": 102, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3656, + "next": 2680, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3654, + "prev": 2678, "terminal_flag": false, "phi": -63.1656268906776, "chainID": "B", @@ -285785,7 +214145,7 @@ } }, { - "pk": 3656, + "pk": 2680, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -285803,15 +214163,15 @@ "zeta": 34.9170809298713, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 258, + "sidechain_VAL": 206, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3657, + "next": 2681, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3655, + "prev": 2679, "terminal_flag": false, "phi": -55.0217150618154, "chainID": "B", @@ -285846,7 +214206,7 @@ } }, { - "pk": 3657, + "pk": 2681, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -285859,7 +214219,7 @@ "oldID": "324", "bg": 46.98, "sidechain_CYS": null, - "sidechain_ILE": 229, + "sidechain_ILE": 177, "protein": "1TWF", "zeta": 33.8497923602741, "sidechain_PHE": null, @@ -285868,11 +214228,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3658, + "next": 2682, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3656, + "prev": 2680, "terminal_flag": false, "phi": -91.7335053263463, "chainID": "B", @@ -285907,7 +214267,7 @@ } }, { - "pk": 3658, + "pk": 2682, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -285929,15 +214289,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3659, + "next": 2683, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3657, + "prev": 2681, "terminal_flag": false, "phi": -124.88459058281, "chainID": "B", - "sidechain_GLN": 142, + "sidechain_GLN": 115, "ome": 177.94652427647, "chi2": 68.8973820333589, "chi3": 54.2452893606758, @@ -285968,14 +214328,14 @@ } }, { - "pk": 3659, + "pk": 2683, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 230, + "sidechain_ASP": 177, "a6": 115.479010725836, "psi": 159.670954527106, "oldID": "326", @@ -285990,11 +214350,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3660, + "next": 2684, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3658, + "prev": 2682, "terminal_flag": false, "phi": -159.561882111063, "chainID": "B", @@ -286029,7 +214389,7 @@ } }, { - "pk": 3660, + "pk": 2684, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -286051,11 +214411,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3661, + "next": 2685, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3659, + "prev": 2683, "terminal_flag": false, "phi": -53.5283253846609, "chainID": "B", @@ -286073,7 +214433,7 @@ "L3": 1.5216708422569, "a7": 122.856161325838, "L1": 1.32541251088511, - "sidechain_ARG": 177, + "sidechain_ARG": 136, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -286090,7 +214450,7 @@ } }, { - "pk": 3661, + "pk": 2685, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -286112,11 +214472,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3662, + "next": 2686, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3660, + "prev": 2684, "terminal_flag": false, "phi": -69.7851162795254, "chainID": "B", @@ -286136,7 +214496,7 @@ "L1": 1.32871492883503, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 268, + "sidechain_GLU": 210, "omep": null, "ss": "H", "a3": 110.917560534573, @@ -286151,7 +214511,7 @@ } }, { - "pk": 3662, + "pk": 2686, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -286171,13 +214531,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 201, + "sidechain_THR": 140, "sidechain_TRP": null, - "next": 3663, + "next": 2687, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3661, + "prev": 2685, "terminal_flag": false, "phi": -55.9562602280025, "chainID": "B", @@ -286212,7 +214572,7 @@ } }, { - "pk": 3663, + "pk": 2687, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -286234,11 +214594,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3664, + "next": 2688, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3662, + "prev": 2686, "terminal_flag": false, "phi": -69.5930354235932, "chainID": "B", @@ -286273,7 +214633,7 @@ } }, { - "pk": 3664, + "pk": 2688, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -286295,11 +214655,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3665, + "next": 2689, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3663, + "prev": 2687, "terminal_flag": false, "phi": -59.615980584142, "chainID": "B", @@ -286326,7 +214686,7 @@ "bs": 32.0, "a2": 110.339846224548, "a5": 121.052184324202, - "sidechain_LEU": 300, + "sidechain_LEU": 240, "chainIndex": 271, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -286334,14 +214694,14 @@ } }, { - "pk": 3665, + "pk": 2689, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 231, + "sidechain_ASP": 178, "a6": 115.716586588405, "psi": -36.2992771129724, "oldID": "332", @@ -286356,11 +214716,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3666, + "next": 2690, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3664, + "prev": 2688, "terminal_flag": false, "phi": -64.3602021076447, "chainID": "B", @@ -286395,7 +214755,7 @@ } }, { - "pk": 3666, + "pk": 2690, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -286411,17 +214771,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 36.5613247362662, - "sidechain_PHE": 136, + "sidechain_PHE": 103, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3667, + "next": 2691, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3665, + "prev": 2689, "terminal_flag": false, "phi": -58.0891023257923, "chainID": "B", @@ -286456,7 +214816,7 @@ } }, { - "pk": 3667, + "pk": 2691, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -286469,7 +214829,7 @@ "oldID": "334", "bg": 33.21, "sidechain_CYS": null, - "sidechain_ILE": 230, + "sidechain_ILE": 178, "protein": "1TWF", "zeta": 34.7704035266569, "sidechain_PHE": null, @@ -286478,11 +214838,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3668, + "next": 2692, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3666, + "prev": 2690, "terminal_flag": false, "phi": -68.0790694961037, "chainID": "B", @@ -286517,7 +214877,7 @@ } }, { - "pk": 3668, + "pk": 2692, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -286539,11 +214899,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3669, + "next": 2693, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3667, + "prev": 2691, "terminal_flag": false, "phi": -57.4289326459415, "chainID": "B", @@ -286578,7 +214938,7 @@ } }, { - "pk": 3669, + "pk": 2693, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -286600,11 +214960,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3670, + "next": 2694, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3668, + "prev": 2692, "terminal_flag": false, "phi": -69.9791681918743, "chainID": "B", @@ -286622,7 +214982,7 @@ "L3": 1.52047236228962, "a7": 122.851921229015, "L1": 1.32416309038956, - "sidechain_ARG": 178, + "sidechain_ARG": 137, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -286639,7 +214999,7 @@ } }, { - "pk": 3670, + "pk": 2694, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -286661,11 +215021,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3671, + "next": 2695, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3669, + "prev": 2693, "terminal_flag": false, "phi": -74.0476938457275, "chainID": "B", @@ -286683,7 +215043,7 @@ "L3": 1.52530057319503, "a7": 123.05701749549, "L1": 1.32721326198844, - "sidechain_ARG": 179, + "sidechain_ARG": 138, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -286700,7 +215060,7 @@ } }, { - "pk": 3671, + "pk": 2695, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -286722,11 +215082,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3672, + "next": 2696, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3670, + "prev": 2694, "terminal_flag": false, "phi": -143.31240483217, "chainID": "B", @@ -286761,7 +215121,7 @@ } }, { - "pk": 3672, + "pk": 2696, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -286781,13 +215141,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 202, + "sidechain_THR": 141, "sidechain_TRP": null, - "next": 3673, + "next": 2697, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3671, + "prev": 2695, "terminal_flag": false, "phi": -145.96679926553, "chainID": "B", @@ -286822,7 +215182,7 @@ } }, { - "pk": 3673, + "pk": 2697, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -286844,11 +215204,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3674, + "next": 2698, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3672, + "prev": 2696, "terminal_flag": false, "phi": -73.4281078652737, "chainID": "B", @@ -286883,7 +215243,7 @@ } }, { - "pk": 3674, + "pk": 2698, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -286905,11 +215265,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3675, + "next": 2699, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3673, + "prev": 2697, "terminal_flag": false, "phi": -71.6388576534138, "chainID": "B", @@ -286936,7 +215296,7 @@ "bs": 51.0, "a2": 109.384736613319, "a5": 119.928780503323, - "sidechain_LEU": 301, + "sidechain_LEU": 241, "chainIndex": 281, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -286944,7 +215304,7 @@ } }, { - "pk": 3675, + "pk": 2699, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -286966,11 +215326,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3676, + "next": 2700, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3674, + "prev": 2698, "terminal_flag": false, "phi": -94.3153630577222, "chainID": "B", @@ -287005,7 +215365,7 @@ } }, { - "pk": 3676, + "pk": 2700, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -287018,7 +215378,7 @@ "oldID": "343", "bg": 56.51, "sidechain_CYS": null, - "sidechain_ILE": 231, + "sidechain_ILE": 179, "protein": "1TWF", "zeta": 33.6544508552542, "sidechain_PHE": null, @@ -287027,11 +215387,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3677, + "next": 2701, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3675, + "prev": 2699, "terminal_flag": false, "phi": -73.7426832094111, "chainID": "B", @@ -287066,7 +215426,7 @@ } }, { - "pk": 3677, + "pk": 2701, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -287083,16 +215443,16 @@ "protein": "1TWF", "zeta": 34.7242965210228, "sidechain_PHE": null, - "sidechain_LYS": 240, + "sidechain_LYS": 161, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3678, + "next": 2702, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3676, + "prev": 2700, "terminal_flag": false, "phi": -73.8808326238141, "chainID": "B", @@ -287127,7 +215487,7 @@ } }, { - "pk": 3678, + "pk": 2702, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -287144,16 +215504,16 @@ "protein": "1TWF", "zeta": 34.8895729164052, "sidechain_PHE": null, - "sidechain_LYS": 241, + "sidechain_LYS": 162, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3679, + "next": 2703, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3677, + "prev": 2701, "terminal_flag": false, "phi": -36.9931259072252, "chainID": "B", @@ -287188,7 +215548,7 @@ } }, { - "pk": 3679, + "pk": 2703, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -287210,11 +215570,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3680, + "next": 2704, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3678, + "prev": 2702, "terminal_flag": false, "phi": -54.6925942974421, "chainID": "B", @@ -287234,7 +215594,7 @@ "L1": 1.32554471511888, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 269, + "sidechain_GLU": 211, "omep": null, "ss": "H", "a3": 110.251438209238, @@ -287249,7 +215609,7 @@ } }, { - "pk": 3680, + "pk": 2704, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -287266,16 +215626,16 @@ "protein": "1TWF", "zeta": 34.2300669878459, "sidechain_PHE": null, - "sidechain_LYS": 242, + "sidechain_LYS": 163, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3681, + "next": 2705, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3679, + "prev": 2703, "terminal_flag": false, "phi": -67.2521564139788, "chainID": "B", @@ -287310,7 +215670,7 @@ } }, { - "pk": 3681, + "pk": 2705, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -287332,11 +215692,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3682, + "next": 2706, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3680, + "prev": 2704, "terminal_flag": false, "phi": -64.4512516245916, "chainID": "B", @@ -287354,7 +215714,7 @@ "L3": 1.52199006586924, "a7": 123.238370645153, "L1": 1.32723646802601, - "sidechain_ARG": 180, + "sidechain_ARG": 139, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -287371,7 +215731,7 @@ } }, { - "pk": 3682, + "pk": 2706, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -287384,7 +215744,7 @@ "oldID": "349", "bg": 48.62, "sidechain_CYS": null, - "sidechain_ILE": 232, + "sidechain_ILE": 180, "protein": "1TWF", "zeta": 34.1855358949717, "sidechain_PHE": null, @@ -287393,11 +215753,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3683, + "next": 2707, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3681, + "prev": 2705, "terminal_flag": false, "phi": -57.3304715239825, "chainID": "B", @@ -287432,7 +215792,7 @@ } }, { - "pk": 3683, + "pk": 2707, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -287454,15 +215814,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3684, + "next": 2708, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3682, + "prev": 2706, "terminal_flag": false, "phi": -69.2374011324336, "chainID": "B", - "sidechain_GLN": 143, + "sidechain_GLN": 116, "ome": -179.798520999504, "chi2": 50.9500325884136, "chi3": 47.2808029722264, @@ -287493,7 +215853,7 @@ } }, { - "pk": 3684, + "pk": 2708, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -287515,11 +215875,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3685, + "next": 2709, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3683, + "prev": 2707, "terminal_flag": false, "phi": -55.0753944569307, "chainID": "B", @@ -287538,7 +215898,7 @@ "a7": 123.47365725642, "L1": 1.32710052572358, "sidechain_ARG": null, - "sidechain_TYR": 113, + "sidechain_TYR": 70, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -287554,7 +215914,7 @@ } }, { - "pk": 3685, + "pk": 2709, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -287576,11 +215936,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3686, + "next": 2710, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3684, + "prev": 2708, "terminal_flag": false, "phi": -64.6191052093669, "chainID": "B", @@ -287615,7 +215975,7 @@ } }, { - "pk": 3686, + "pk": 2710, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -287632,16 +215992,16 @@ "protein": "1TWF", "zeta": 34.7209080888975, "sidechain_PHE": null, - "sidechain_LYS": 243, + "sidechain_LYS": 164, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3687, + "next": 2711, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3685, + "prev": 2709, "terminal_flag": false, "phi": -64.7152218345034, "chainID": "B", @@ -287676,14 +216036,14 @@ } }, { - "pk": 3687, + "pk": 2711, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 232, + "sidechain_ASP": 179, "a6": 116.826517850415, "psi": -38.0729113826009, "oldID": "354", @@ -287698,11 +216058,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3688, + "next": 2712, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3686, + "prev": 2710, "terminal_flag": false, "phi": -67.2625235413492, "chainID": "B", @@ -287737,7 +216097,7 @@ } }, { - "pk": 3688, + "pk": 2712, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -287750,7 +216110,7 @@ "oldID": "355", "bg": 51.31, "sidechain_CYS": null, - "sidechain_ILE": 233, + "sidechain_ILE": 181, "protein": "1TWF", "zeta": 34.2968221388696, "sidechain_PHE": null, @@ -287759,11 +216119,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3689, + "next": 2713, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3687, + "prev": 2711, "terminal_flag": false, "phi": -63.4583200740428, "chainID": "B", @@ -287798,7 +216158,7 @@ } }, { - "pk": 3689, + "pk": 2713, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -287820,11 +216180,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3690, + "next": 2714, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3688, + "prev": 2712, "terminal_flag": false, "phi": -79.6786176038373, "chainID": "B", @@ -287851,7 +216211,7 @@ "bs": 46.0, "a2": 109.839497265934, "a5": 120.616784377904, - "sidechain_LEU": 302, + "sidechain_LEU": 242, "chainIndex": 296, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -287859,7 +216219,7 @@ } }, { - "pk": 3690, + "pk": 2714, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -287881,15 +216241,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3691, + "next": 2715, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3689, + "prev": 2713, "terminal_flag": false, "phi": -97.6219469324192, "chainID": "B", - "sidechain_GLN": 144, + "sidechain_GLN": 117, "ome": -178.194458698739, "chi2": -132.810355774303, "chi3": 94.4321417821946, @@ -287920,7 +216280,7 @@ } }, { - "pk": 3691, + "pk": 2715, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -287937,16 +216297,16 @@ "protein": "1TWF", "zeta": 34.6057666684017, "sidechain_PHE": null, - "sidechain_LYS": 244, + "sidechain_LYS": 165, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3692, + "next": 2716, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3690, + "prev": 2714, "terminal_flag": false, "phi": -130.969770162169, "chainID": "B", @@ -287981,7 +216341,7 @@ } }, { - "pk": 3692, + "pk": 2716, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -288003,11 +216363,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3693, + "next": 2717, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3691, + "prev": 2715, "terminal_flag": false, "phi": -103.504432517992, "chainID": "B", @@ -288027,7 +216387,7 @@ "L1": 1.32990445279145, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 270, + "sidechain_GLU": 212, "omep": null, "ss": "I", "a3": 113.060241381147, @@ -288042,7 +216402,7 @@ } }, { - "pk": 3693, + "pk": 2717, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -288058,17 +216418,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7037325318781, - "sidechain_PHE": 137, + "sidechain_PHE": 104, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3694, + "next": 2718, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3692, + "prev": 2716, "terminal_flag": false, "phi": -110.197922548988, "chainID": "B", @@ -288103,7 +216463,7 @@ } }, { - "pk": 3694, + "pk": 2718, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -288125,11 +216485,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3695, + "next": 2719, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3693, + "prev": 2717, "terminal_flag": false, "phi": 47.0468057289946, "chainID": "B", @@ -288156,7 +216516,7 @@ "bs": 40.0, "a2": 110.152220172239, "a5": 120.31967744481, - "sidechain_LEU": 303, + "sidechain_LEU": 243, "chainIndex": 301, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -288164,11 +216524,11 @@ } }, { - "pk": 3695, + "pk": 2719, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 187, + "sidechain_PRO": 131, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -288186,11 +216546,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3696, + "next": 2720, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3694, + "prev": 2718, "terminal_flag": false, "phi": -67.6465908512209, "chainID": "B", @@ -288225,7 +216585,7 @@ } }, { - "pk": 3696, + "pk": 2720, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -288247,11 +216607,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3697, + "next": 2721, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3695, + "prev": 2719, "terminal_flag": false, "phi": -67.9678027292173, "chainID": "B", @@ -288280,13 +216640,13 @@ "a5": 120.358401961964, "sidechain_LEU": null, "chainIndex": 303, - "sidechain_HIS": 96, + "sidechain_HIS": 74, "h_bond_energy": 0.0, "a4": 110.161887943508 } }, { - "pk": 3697, + "pk": 2721, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -288299,7 +216659,7 @@ "oldID": "364", "bg": 54.22, "sidechain_CYS": null, - "sidechain_ILE": 234, + "sidechain_ILE": 182, "protein": "1TWF", "zeta": 34.0151170667486, "sidechain_PHE": null, @@ -288308,11 +216668,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3698, + "next": 2722, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3696, + "prev": 2720, "terminal_flag": false, "phi": -71.9020131821742, "chainID": "B", @@ -288347,7 +216707,7 @@ } }, { - "pk": 3698, + "pk": 2722, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -288367,13 +216727,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 203, + "sidechain_THR": 142, "sidechain_TRP": null, - "next": 3699, + "next": 2723, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 3697, + "prev": 2721, "terminal_flag": false, "phi": -158.68575491736, "chainID": "B", @@ -288408,7 +216768,7 @@ } }, { - "pk": 3699, + "pk": 2723, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -288430,15 +216790,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3700, + "next": 2724, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3698, + "prev": 2722, "terminal_flag": false, "phi": -130.91094478762, "chainID": "B", - "sidechain_GLN": 145, + "sidechain_GLN": 118, "ome": 178.953194202952, "chi2": 167.994488474623, "chi3": 167.537762256479, @@ -288469,7 +216829,7 @@ } }, { - "pk": 3700, + "pk": 2724, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -288491,11 +216851,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3701, + "next": 2725, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 3699, + "prev": 2723, "terminal_flag": false, "phi": -76.6978904298189, "chainID": "B", @@ -288522,7 +216882,7 @@ "bs": 87.0, "a2": 109.620839856599, "a5": 119.649410088449, - "sidechain_LEU": 304, + "sidechain_LEU": 244, "chainIndex": 307, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -288530,7 +216890,7 @@ } }, { - "pk": 3701, + "pk": 2725, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -288552,11 +216912,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3702, + "next": 2726, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 3700, + "prev": 2724, "terminal_flag": false, "phi": -91.3726203588798, "chainID": "B", @@ -288576,7 +216936,7 @@ "L1": 1.33231259313732, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 271, + "sidechain_GLU": 213, "omep": null, "ss": "S", "a3": 117.75915010692, @@ -288591,7 +216951,7 @@ } }, { - "pk": 3702, + "pk": 2726, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -288613,11 +216973,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3703, + "next": 2727, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 3701, + "prev": 2725, "terminal_flag": false, "phi": -69.8411624157142, "chainID": "B", @@ -288652,7 +217012,7 @@ } }, { - "pk": 3703, + "pk": 2727, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -288668,17 +217028,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.787420673215, - "sidechain_PHE": 138, + "sidechain_PHE": 105, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3704, + "next": 2728, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 3702, + "prev": 2726, "terminal_flag": false, "phi": -145.490020677123, "chainID": "B", @@ -288713,7 +217073,7 @@ } }, { - "pk": 3704, + "pk": 2728, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -288735,11 +217095,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3705, + "next": 2729, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3703, + "prev": 2727, "terminal_flag": false, "phi": -81.7228050126345, "chainID": "B", @@ -288759,7 +217119,7 @@ "L1": 1.32868819706282, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 272, + "sidechain_GLU": 214, "omep": null, "ss": "H", "a3": 112.245247417381, @@ -288774,7 +217134,7 @@ } }, { - "pk": 3705, + "pk": 2729, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -288796,11 +217156,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3706, - "sidechain_SER": 192, + "next": 2730, + "sidechain_SER": 146, "bm": 70.0, "xpr": false, - "prev": 3704, + "prev": 2728, "terminal_flag": false, "phi": -76.759838327261, "chainID": "B", @@ -288835,7 +217195,7 @@ } }, { - "pk": 3706, + "pk": 2730, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -288857,11 +217217,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3707, + "next": 2731, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3705, + "prev": 2729, "terminal_flag": false, "phi": -68.3228931635212, "chainID": "B", @@ -288879,7 +217239,7 @@ "L3": 1.53021353358818, "a7": 122.834943721943, "L1": 1.32929835490392, - "sidechain_ARG": 181, + "sidechain_ARG": 140, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -288896,7 +217256,7 @@ } }, { - "pk": 3707, + "pk": 2731, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -288913,16 +217273,16 @@ "protein": "1TWF", "zeta": 33.6732561401753, "sidechain_PHE": null, - "sidechain_LYS": 245, + "sidechain_LYS": 166, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3708, + "next": 2732, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3706, + "prev": 2730, "terminal_flag": false, "phi": -80.5499461404159, "chainID": "B", @@ -288957,7 +217317,7 @@ } }, { - "pk": 3708, + "pk": 2732, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -288979,11 +217339,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3709, + "next": 2733, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3707, + "prev": 2731, "terminal_flag": false, "phi": -67.8027019346974, "chainID": "B", @@ -289018,7 +217378,7 @@ } }, { - "pk": 3709, + "pk": 2733, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -289034,17 +217394,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.7580642218547, - "sidechain_PHE": 139, + "sidechain_PHE": 106, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3710, + "next": 2734, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3708, + "prev": 2732, "terminal_flag": false, "phi": -65.0567819131911, "chainID": "B", @@ -289079,7 +217439,7 @@ } }, { - "pk": 3710, + "pk": 2734, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -289095,17 +217455,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.0770904198457, - "sidechain_PHE": 140, + "sidechain_PHE": 107, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3711, + "next": 2735, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3709, + "prev": 2733, "terminal_flag": false, "phi": -74.4281330196496, "chainID": "B", @@ -289140,7 +217500,7 @@ } }, { - "pk": 3711, + "pk": 2735, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -289162,11 +217522,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3712, + "next": 2736, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 3710, + "prev": 2734, "terminal_flag": false, "phi": -65.7508618905385, "chainID": "B", @@ -289193,7 +217553,7 @@ "bs": 24.0, "a2": 109.80770737001, "a5": 120.764550022708, - "sidechain_LEU": 305, + "sidechain_LEU": 245, "chainIndex": 318, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -289201,7 +217561,7 @@ } }, { - "pk": 3712, + "pk": 2736, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -289223,11 +217583,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3713, + "next": 2737, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3711, + "prev": 2735, "terminal_flag": false, "phi": -61.8443183236477, "chainID": "B", @@ -289262,7 +217622,7 @@ } }, { - "pk": 3713, + "pk": 2737, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -289284,11 +217644,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3714, + "next": 2738, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3712, + "prev": 2736, "terminal_flag": false, "phi": -61.9269938878664, "chainID": "B", @@ -289307,7 +217667,7 @@ "a7": 122.195076811864, "L1": 1.3290263756233, "sidechain_ARG": null, - "sidechain_TYR": 114, + "sidechain_TYR": 71, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -289323,7 +217683,7 @@ } }, { - "pk": 3714, + "pk": 2738, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -289342,14 +217702,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 97, + "sidechain_MET": 70, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3715, + "next": 2739, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3713, + "prev": 2737, "terminal_flag": false, "phi": -72.3557229283938, "chainID": "B", @@ -289384,7 +217744,7 @@ } }, { - "pk": 3715, + "pk": 2739, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -289397,7 +217757,7 @@ "oldID": "382", "bg": 38.15, "sidechain_CYS": null, - "sidechain_ILE": 235, + "sidechain_ILE": 183, "protein": "1TWF", "zeta": 34.4966946583738, "sidechain_PHE": null, @@ -289406,11 +217766,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3716, + "next": 2740, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3714, + "prev": 2738, "terminal_flag": false, "phi": -59.4320516291944, "chainID": "B", @@ -289445,12 +217805,12 @@ } }, { - "pk": 3716, + "pk": 2740, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 156, + "sidechain_ASN": 107, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.791679236158, @@ -289467,11 +217827,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3717, + "next": 2741, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3715, + "prev": 2739, "terminal_flag": false, "phi": -54.3771884850131, "chainID": "B", @@ -289506,7 +217866,7 @@ } }, { - "pk": 3717, + "pk": 2741, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -289528,11 +217888,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3718, + "next": 2742, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3716, + "prev": 2740, "terminal_flag": false, "phi": -66.0041296518065, "chainID": "B", @@ -289550,7 +217910,7 @@ "L3": 1.53340337413336, "a7": 123.37072504929, "L1": 1.33150062280736, - "sidechain_ARG": 182, + "sidechain_ARG": 141, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -289567,7 +217927,7 @@ } }, { - "pk": 3718, + "pk": 2742, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -289589,11 +217949,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3719, + "next": 2743, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3717, + "prev": 2741, "terminal_flag": false, "phi": -52.827399750586, "chainID": "B", @@ -289620,7 +217980,7 @@ "bs": 35.0, "a2": 109.802820885419, "a5": 120.343208101954, - "sidechain_LEU": 306, + "sidechain_LEU": 246, "chainIndex": 325, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -289628,7 +217988,7 @@ } }, { - "pk": 3719, + "pk": 2743, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -289650,11 +218010,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3720, + "next": 2744, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3718, + "prev": 2742, "terminal_flag": false, "phi": -57.7743625922906, "chainID": "B", @@ -289681,7 +218041,7 @@ "bs": 37.0, "a2": 110.371016786467, "a5": 121.532231360078, - "sidechain_LEU": 307, + "sidechain_LEU": 247, "chainIndex": 326, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -289689,7 +218049,7 @@ } }, { - "pk": 3720, + "pk": 2744, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -289711,11 +218071,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3721, + "next": 2745, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3719, + "prev": 2743, "terminal_flag": false, "phi": -55.0575854653865, "chainID": "B", @@ -289742,7 +218102,7 @@ "bs": 37.0, "a2": 108.920200724215, "a5": 121.382539642645, - "sidechain_LEU": 308, + "sidechain_LEU": 248, "chainIndex": 327, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -289750,7 +218110,7 @@ } }, { - "pk": 3721, + "pk": 2745, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -289762,7 +218122,7 @@ "psi": -42.6684106010587, "oldID": "388", "bg": 46.47, - "sidechain_CYS": 70, + "sidechain_CYS": 52, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.120253753331, @@ -289772,11 +218132,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3722, + "next": 2746, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3720, + "prev": 2744, "terminal_flag": false, "phi": -72.531877656903, "chainID": "B", @@ -289811,7 +218171,7 @@ } }, { - "pk": 3722, + "pk": 2746, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -289833,11 +218193,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3723, + "next": 2747, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3721, + "prev": 2745, "terminal_flag": false, "phi": -62.3829443375874, "chainID": "B", @@ -289872,7 +218232,7 @@ } }, { - "pk": 3723, + "pk": 2747, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -289894,11 +218254,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3724, + "next": 2748, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3722, + "prev": 2746, "terminal_flag": false, "phi": -85.7784744327638, "chainID": "B", @@ -289925,7 +218285,7 @@ "bs": 43.0, "a2": 110.634813929672, "a5": 120.763821834766, - "sidechain_LEU": 309, + "sidechain_LEU": 249, "chainIndex": 330, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -289933,14 +218293,14 @@ } }, { - "pk": 3724, + "pk": 2748, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 233, + "sidechain_ASP": 180, "a6": 116.726509294254, "psi": 24.6390049174553, "oldID": "391", @@ -289955,11 +218315,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3725, + "next": 2749, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3723, + "prev": 2747, "terminal_flag": false, "phi": 63.9636730979892, "chainID": "B", @@ -289994,7 +218354,7 @@ } }, { - "pk": 3725, + "pk": 2749, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -290016,11 +218376,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3726, + "next": 2750, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3724, + "prev": 2748, "terminal_flag": false, "phi": -91.2945039266077, "chainID": "B", @@ -290038,7 +218398,7 @@ "L3": 1.52313445511973, "a7": 122.996913969156, "L1": 1.32948858278935, - "sidechain_ARG": 183, + "sidechain_ARG": 142, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -290055,7 +218415,7 @@ } }, { - "pk": 3726, + "pk": 2750, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -290072,16 +218432,16 @@ "protein": "1TWF", "zeta": 35.2527366308231, "sidechain_PHE": null, - "sidechain_LYS": 246, + "sidechain_LYS": 167, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3727, + "next": 2751, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3725, + "prev": 2749, "terminal_flag": false, "phi": -149.413688621718, "chainID": "B", @@ -290116,14 +218476,14 @@ } }, { - "pk": 3727, + "pk": 2751, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 234, + "sidechain_ASP": 181, "a6": 116.762436027721, "psi": 154.887128251522, "oldID": "394", @@ -290138,11 +218498,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3728, + "next": 2752, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3726, + "prev": 2750, "terminal_flag": false, "phi": -92.8134404878653, "chainID": "B", @@ -290177,7 +218537,7 @@ } }, { - "pk": 3728, + "pk": 2752, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -290199,15 +218559,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3729, + "next": 2753, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3727, + "prev": 2751, "terminal_flag": false, "phi": -61.4836989901243, "chainID": "B", - "sidechain_GLN": 146, + "sidechain_GLN": 119, "ome": -179.736210394095, "chi2": -164.052582454838, "chi3": -54.6120421676609, @@ -290238,14 +218598,14 @@ } }, { - "pk": 3729, + "pk": 2753, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 235, + "sidechain_ASP": 182, "a6": 115.919439248939, "psi": 147.391840980483, "oldID": "396", @@ -290260,11 +218620,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3730, + "next": 2754, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3728, + "prev": 2752, "terminal_flag": false, "phi": -43.5185142933625, "chainID": "B", @@ -290299,14 +218659,14 @@ } }, { - "pk": 3730, + "pk": 2754, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 236, + "sidechain_ASP": 183, "a6": 117.229322560941, "psi": 107.38265088884, "oldID": "397", @@ -290321,11 +218681,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3731, + "next": 2755, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3729, + "prev": 2753, "terminal_flag": false, "phi": -84.7794289676646, "chainID": "B", @@ -290360,7 +218720,7 @@ } }, { - "pk": 3731, + "pk": 2755, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -290382,11 +218742,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3732, + "next": 2756, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3730, + "prev": 2754, "terminal_flag": false, "phi": -70.2884125757976, "chainID": "B", @@ -290404,7 +218764,7 @@ "L3": 1.52718819385045, "a7": 121.684526480156, "L1": 1.32970754954996, - "sidechain_ARG": 184, + "sidechain_ARG": 143, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -290421,14 +218781,14 @@ } }, { - "pk": 3732, + "pk": 2756, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 237, + "sidechain_ASP": 184, "a6": 115.974484068547, "psi": 5.77397632884972, "oldID": "399", @@ -290443,11 +218803,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3733, + "next": 2757, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3731, + "prev": 2755, "terminal_flag": false, "phi": -108.635210042268, "chainID": "B", @@ -290482,7 +218842,7 @@ } }, { - "pk": 3733, + "pk": 2757, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -290504,11 +218864,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3734, + "next": 2758, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3732, + "prev": 2756, "terminal_flag": false, "phi": -68.2027734092124, "chainID": "B", @@ -290537,13 +218897,13 @@ "a5": 121.242290806577, "sidechain_LEU": null, "chainIndex": 340, - "sidechain_HIS": 97, + "sidechain_HIS": 75, "h_bond_energy": 0.0, "a4": 110.896306498442 } }, { - "pk": 3734, + "pk": 2758, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -290559,17 +218919,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.8106513690259, - "sidechain_PHE": 141, + "sidechain_PHE": 108, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3735, + "next": 2759, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3733, + "prev": 2757, "terminal_flag": false, "phi": -66.8444373427818, "chainID": "B", @@ -290604,7 +218964,7 @@ } }, { - "pk": 3735, + "pk": 2759, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -290626,11 +218986,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3736, + "next": 2760, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3734, + "prev": 2758, "terminal_flag": false, "phi": -67.4588289292631, "chainID": "B", @@ -290665,7 +219025,7 @@ } }, { - "pk": 3736, + "pk": 2760, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -290682,16 +219042,16 @@ "protein": "1TWF", "zeta": 33.6147552612218, "sidechain_PHE": null, - "sidechain_LYS": 247, + "sidechain_LYS": 168, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3737, + "next": 2761, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3735, + "prev": 2759, "terminal_flag": false, "phi": -98.7555708802551, "chainID": "B", @@ -290726,7 +219086,7 @@ } }, { - "pk": 3737, + "pk": 2761, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -290743,16 +219103,16 @@ "protein": "1TWF", "zeta": 33.6666644562798, "sidechain_PHE": null, - "sidechain_LYS": 248, + "sidechain_LYS": 169, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3738, + "next": 2762, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3736, + "prev": 2760, "terminal_flag": false, "phi": -112.301246634661, "chainID": "B", @@ -290787,7 +219147,7 @@ } }, { - "pk": 3738, + "pk": 2762, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -290809,11 +219169,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3739, + "next": 2763, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 3737, + "prev": 2761, "terminal_flag": false, "phi": -140.197279834358, "chainID": "B", @@ -290831,7 +219191,7 @@ "L3": 1.53930890479156, "a7": 122.505237563735, "L1": 1.31757465134458, - "sidechain_ARG": 185, + "sidechain_ARG": 144, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -290848,7 +219208,7 @@ } }, { - "pk": 3739, + "pk": 2763, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -290870,11 +219230,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3740, + "next": 2764, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3738, + "prev": 2762, "terminal_flag": false, "phi": -113.755318598102, "chainID": "B", @@ -290901,7 +219261,7 @@ "bs": 36.0, "a2": 110.440248874767, "a5": 121.118505944804, - "sidechain_LEU": 310, + "sidechain_LEU": 250, "chainIndex": 346, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -290909,14 +219269,14 @@ } }, { - "pk": 3740, + "pk": 2764, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 238, + "sidechain_ASP": 185, "a6": 116.008717196636, "psi": 123.64146065553, "oldID": "407", @@ -290931,11 +219291,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3741, + "next": 2765, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3739, + "prev": 2763, "terminal_flag": false, "phi": -94.2981248145449, "chainID": "B", @@ -290970,7 +219330,7 @@ } }, { - "pk": 3741, + "pk": 2765, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -290992,11 +219352,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3742, + "next": 2766, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3740, + "prev": 2764, "terminal_flag": false, "phi": -108.052120567452, "chainID": "B", @@ -291023,7 +219383,7 @@ "bs": 46.0, "a2": 109.763999733106, "a5": 120.865684103474, - "sidechain_LEU": 311, + "sidechain_LEU": 251, "chainIndex": 348, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -291031,7 +219391,7 @@ } }, { - "pk": 3742, + "pk": 2766, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -291053,11 +219413,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3743, + "next": 2767, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3741, + "prev": 2765, "terminal_flag": false, "phi": -36.1047611577031, "chainID": "B", @@ -291092,7 +219452,7 @@ } }, { - "pk": 3743, + "pk": 2767, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -291114,11 +219474,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3744, + "next": 2768, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3742, + "prev": 2766, "terminal_flag": false, "phi": -49.8116253183901, "chainID": "B", @@ -291153,11 +219513,11 @@ } }, { - "pk": 3744, + "pk": 2768, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 188, + "sidechain_PRO": 132, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -291175,11 +219535,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3745, + "next": 2769, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3743, + "prev": 2767, "terminal_flag": false, "phi": -47.9573438923236, "chainID": "B", @@ -291214,7 +219574,7 @@ } }, { - "pk": 3745, + "pk": 2769, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -291236,11 +219596,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3746, + "next": 2770, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3744, + "prev": 2768, "terminal_flag": false, "phi": -59.0209332302338, "chainID": "B", @@ -291267,7 +219627,7 @@ "bs": 46.0, "a2": 110.209498886498, "a5": 120.551072980352, - "sidechain_LEU": 312, + "sidechain_LEU": 252, "chainIndex": 352, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -291275,7 +219635,7 @@ } }, { - "pk": 3746, + "pk": 2770, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -291297,11 +219657,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3747, + "next": 2771, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3745, + "prev": 2769, "terminal_flag": false, "phi": -68.7125392992298, "chainID": "B", @@ -291328,7 +219688,7 @@ "bs": 53.0, "a2": 110.316881615746, "a5": 120.588711596573, - "sidechain_LEU": 313, + "sidechain_LEU": 253, "chainIndex": 353, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -291336,7 +219696,7 @@ } }, { - "pk": 3747, + "pk": 2771, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -291358,11 +219718,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3748, + "next": 2772, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3746, + "prev": 2770, "terminal_flag": false, "phi": -83.6787770461346, "chainID": "B", @@ -291397,7 +219757,7 @@ } }, { - "pk": 3748, + "pk": 2772, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -291419,15 +219779,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3749, + "next": 2773, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 3747, + "prev": 2771, "terminal_flag": false, "phi": -56.0043389170295, "chainID": "B", - "sidechain_GLN": 147, + "sidechain_GLN": 120, "ome": 179.73897922079, "chi2": -178.805830801657, "chi3": -29.5190004952614, @@ -291458,7 +219818,7 @@ } }, { - "pk": 3749, + "pk": 2773, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -291480,11 +219840,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3750, + "next": 2774, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 3748, + "prev": 2772, "terminal_flag": false, "phi": -64.7640458306962, "chainID": "B", @@ -291511,7 +219871,7 @@ "bs": 80.0, "a2": 110.403423640794, "a5": 120.591689874018, - "sidechain_LEU": 314, + "sidechain_LEU": 254, "chainIndex": 356, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -291519,7 +219879,7 @@ } }, { - "pk": 3750, + "pk": 2774, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -291535,17 +219895,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.0061046561384, - "sidechain_PHE": 142, + "sidechain_PHE": 109, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3751, + "next": 2775, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 3749, + "prev": 2773, "terminal_flag": false, "phi": -55.9127065114635, "chainID": "B", @@ -291580,7 +219940,7 @@ } }, { - "pk": 3751, + "pk": 2775, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -291597,16 +219957,16 @@ "protein": "1TWF", "zeta": 35.1546548925566, "sidechain_PHE": null, - "sidechain_LYS": 249, + "sidechain_LYS": 170, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3752, + "next": 2776, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 3750, + "prev": 2774, "terminal_flag": false, "phi": -65.5458663140887, "chainID": "B", @@ -291641,7 +220001,7 @@ } }, { - "pk": 3752, + "pk": 2776, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -291661,13 +220021,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 204, + "sidechain_THR": 143, "sidechain_TRP": null, - "next": 3753, + "next": 2777, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 3751, + "prev": 2775, "terminal_flag": false, "phi": -53.2563528895826, "chainID": "B", @@ -291702,7 +220062,7 @@ } }, { - "pk": 3753, + "pk": 2777, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -291724,11 +220084,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3754, + "next": 2778, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 3752, + "prev": 2776, "terminal_flag": false, "phi": -86.8348368588448, "chainID": "B", @@ -291755,7 +220115,7 @@ "bs": 87.0, "a2": 110.941071925682, "a5": 120.235299445179, - "sidechain_LEU": 315, + "sidechain_LEU": 255, "chainIndex": 360, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -291763,7 +220123,7 @@ } }, { - "pk": 3754, + "pk": 2778, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -291779,17 +220139,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.2841258315642, - "sidechain_PHE": 143, + "sidechain_PHE": 110, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3755, + "next": 2779, "sidechain_SER": null, "bm": 93.0, "xpr": false, - "prev": 3753, + "prev": 2777, "terminal_flag": false, "phi": -69.3239313300969, "chainID": "B", @@ -291824,7 +220184,7 @@ } }, { - "pk": 3755, + "pk": 2779, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -291841,16 +220201,16 @@ "protein": "1TWF", "zeta": 34.3071431711439, "sidechain_PHE": null, - "sidechain_LYS": 250, + "sidechain_LYS": 171, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3756, + "next": 2780, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 3754, + "prev": 2778, "terminal_flag": false, "phi": -78.6414179576655, "chainID": "B", @@ -291885,7 +220245,7 @@ } }, { - "pk": 3756, + "pk": 2780, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -291902,16 +220262,16 @@ "protein": "1TWF", "zeta": 34.6570033863855, "sidechain_PHE": null, - "sidechain_LYS": 251, + "sidechain_LYS": 172, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3757, + "next": 2781, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 3755, + "prev": 2779, "terminal_flag": false, "phi": -75.4351237547711, "chainID": "B", @@ -291946,7 +220306,7 @@ } }, { - "pk": 3757, + "pk": 2781, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -291968,11 +220328,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3758, + "next": 2782, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 3756, + "prev": 2780, "terminal_flag": false, "phi": -72.9292805595941, "chainID": "B", @@ -291999,7 +220359,7 @@ "bs": 103.0, "a2": 111.063663397929, "a5": 121.011210058233, - "sidechain_LEU": 316, + "sidechain_LEU": 256, "chainIndex": 364, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -292007,7 +220367,7 @@ } }, { - "pk": 3758, + "pk": 2782, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -292027,13 +220387,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 205, + "sidechain_THR": 144, "sidechain_TRP": null, - "next": 3759, + "next": 2783, "sidechain_SER": null, "bm": 110.0, "xpr": false, - "prev": 3757, + "prev": 2781, "terminal_flag": false, "phi": -67.8507809093529, "chainID": "B", @@ -292068,7 +220428,7 @@ } }, { - "pk": 3759, + "pk": 2783, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -292085,16 +220445,16 @@ "protein": "1TWF", "zeta": 34.8061480747525, "sidechain_PHE": null, - "sidechain_LYS": 252, + "sidechain_LYS": 173, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3760, + "next": 2784, "sidechain_SER": null, "bm": 115.0, "xpr": false, - "prev": 3758, + "prev": 2782, "terminal_flag": false, "phi": -69.5351683811993, "chainID": "B", @@ -292129,14 +220489,14 @@ } }, { - "pk": 3760, + "pk": 2784, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 239, + "sidechain_ASP": 186, "a6": 116.793237133235, "psi": -3.90088721143264, "oldID": "427", @@ -292151,11 +220511,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3761, + "next": 2785, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 3759, + "prev": 2783, "terminal_flag": false, "phi": -75.0626904840079, "chainID": "B", @@ -292190,7 +220550,7 @@ } }, { - "pk": 3761, + "pk": 2785, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -292203,7 +220563,7 @@ "oldID": "428", "bg": 123.37, "sidechain_CYS": null, - "sidechain_ILE": 236, + "sidechain_ILE": 184, "protein": "1TWF", "zeta": 34.2504887214274, "sidechain_PHE": null, @@ -292212,11 +220572,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3762, + "next": 2786, "sidechain_SER": null, "bm": 123.0, "xpr": false, - "prev": 3760, + "prev": 2784, "terminal_flag": false, "phi": -108.557871628017, "chainID": "B", @@ -292251,7 +220611,7 @@ } }, { - "pk": 3762, + "pk": 2786, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -292267,17 +220627,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.9764965619842, - "sidechain_PHE": 144, + "sidechain_PHE": 111, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3763, + "next": 2787, "sidechain_SER": null, "bm": 126.0, "xpr": false, - "prev": 3761, + "prev": 2785, "terminal_flag": false, "phi": -70.0873242641645, "chainID": "B", @@ -292312,7 +220672,7 @@ } }, { - "pk": 3763, + "pk": 2787, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -292334,11 +220694,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3764, + "next": 2788, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 3762, + "prev": 2786, "terminal_flag": false, "phi": -76.3275793744792, "chainID": "B", @@ -292356,7 +220716,7 @@ "L3": 1.52984806961368, "a7": 123.043413655276, "L1": 1.32910635331631, - "sidechain_ARG": 186, + "sidechain_ARG": 145, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -292373,7 +220733,7 @@ } }, { - "pk": 3764, + "pk": 2788, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -292395,11 +220755,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3765, + "next": 2789, "sidechain_SER": null, "bm": 139.0, "xpr": false, - "prev": 3763, + "prev": 2787, "terminal_flag": false, "phi": -85.6918881324699, "chainID": "B", @@ -292418,7 +220778,7 @@ "a7": 123.048371017958, "L1": 1.32839887700124, "sidechain_ARG": null, - "sidechain_TYR": 115, + "sidechain_TYR": 72, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -292434,7 +220794,7 @@ } }, { - "pk": 3765, + "pk": 2789, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -292453,14 +220813,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 98, + "sidechain_MET": 71, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3766, + "next": 2790, "sidechain_SER": null, "bm": 144.0, "xpr": false, - "prev": 3764, + "prev": 2788, "terminal_flag": false, "phi": -135.593049303282, "chainID": "B", @@ -292495,7 +220855,7 @@ } }, { - "pk": 3766, + "pk": 2790, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -292517,15 +220877,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3767, + "next": 2791, "sidechain_SER": null, "bm": 148.0, "xpr": false, - "prev": 3765, + "prev": 2789, "terminal_flag": false, "phi": -65.4277251055352, "chainID": "B", - "sidechain_GLN": 148, + "sidechain_GLN": 121, "ome": -179.775505334296, "chi2": 178.253096802141, "chi3": -64.934284245574, @@ -292556,7 +220916,7 @@ } }, { - "pk": 3767, + "pk": 2791, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -292578,11 +220938,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3768, + "next": 2792, "sidechain_SER": null, "bm": 151.0, "xpr": false, - "prev": 3766, + "prev": 2790, "terminal_flag": false, "phi": -87.3812996797552, "chainID": "B", @@ -292600,7 +220960,7 @@ "L3": 1.53220935180078, "a7": 122.603033427678, "L1": 1.3290432284798, - "sidechain_ARG": 187, + "sidechain_ARG": 146, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -292617,7 +220977,7 @@ } }, { - "pk": 3768, + "pk": 2792, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -292637,13 +220997,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 206, + "sidechain_THR": 145, "sidechain_TRP": null, - "next": 3769, + "next": 2793, "sidechain_SER": null, "bm": 152.0, "xpr": false, - "prev": 3767, + "prev": 2791, "terminal_flag": false, "phi": -86.0950310164079, "chainID": "B", @@ -292678,7 +221038,7 @@ } }, { - "pk": 3769, + "pk": 2793, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -292696,15 +221056,15 @@ "zeta": 34.5925271376475, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 259, + "sidechain_VAL": 207, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3770, + "next": 2794, "sidechain_SER": null, "bm": 152.0, "xpr": false, - "prev": 3768, + "prev": 2792, "terminal_flag": false, "phi": -119.089558364759, "chainID": "B", @@ -292739,7 +221099,7 @@ } }, { - "pk": 3770, + "pk": 2794, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -292765,7 +221125,7 @@ "sidechain_SER": null, "bm": 151.0, "xpr": false, - "prev": 3769, + "prev": 2793, "terminal_flag": false, "phi": -71.683231455625, "chainID": "B", @@ -292785,7 +221145,7 @@ "L1": 1.33197643693495, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 273, + "sidechain_GLU": 215, "omep": null, "ss": "-", "a3": 111.104612834893, @@ -292800,7 +221160,7 @@ } }, { - "pk": 3771, + "pk": 2795, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -292822,7 +221182,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3772, + "next": 2796, "sidechain_SER": null, "bm": 126.0, "xpr": false, @@ -292853,7 +221213,7 @@ "bs": 126.0, "a2": 109.99394725854, "a5": 120.58232576151, - "sidechain_LEU": 317, + "sidechain_LEU": 257, "chainIndex": 378, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -292861,7 +221221,7 @@ } }, { - "pk": 3772, + "pk": 2796, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -292883,11 +221243,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3773, + "next": 2797, "sidechain_SER": null, "bm": 125.0, "xpr": false, - "prev": 3771, + "prev": 2795, "terminal_flag": false, "phi": 56.7090730018276, "chainID": "B", @@ -292922,7 +221282,7 @@ } }, { - "pk": 3773, + "pk": 2797, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -292935,7 +221295,7 @@ "oldID": "448", "bg": 123.96, "sidechain_CYS": null, - "sidechain_ILE": 237, + "sidechain_ILE": 185, "protein": "1TWF", "zeta": 35.1616621396727, "sidechain_PHE": null, @@ -292944,11 +221304,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3774, + "next": 2798, "sidechain_SER": null, "bm": 122.0, "xpr": false, - "prev": 3772, + "prev": 2796, "terminal_flag": false, "phi": -115.720754655628, "chainID": "B", @@ -292983,12 +221343,12 @@ } }, { - "pk": 3774, + "pk": 2798, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 157, + "sidechain_ASN": 108, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.931637532475, @@ -293005,11 +221365,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3775, + "next": 2799, "sidechain_SER": null, "bm": 117.0, "xpr": false, - "prev": 3773, + "prev": 2797, "terminal_flag": false, "phi": -81.6855193265216, "chainID": "B", @@ -293044,7 +221404,7 @@ } }, { - "pk": 3775, + "pk": 2799, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -293066,11 +221426,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3776, + "next": 2800, "sidechain_SER": null, "bm": 110.0, "xpr": false, - "prev": 3774, + "prev": 2798, "terminal_flag": false, "phi": -59.6897366313525, "chainID": "B", @@ -293105,7 +221465,7 @@ } }, { - "pk": 3776, + "pk": 2800, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -293122,16 +221482,16 @@ "protein": "1TWF", "zeta": 34.0329125812464, "sidechain_PHE": null, - "sidechain_LYS": 253, + "sidechain_LYS": 174, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3777, + "next": 2801, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 3775, + "prev": 2799, "terminal_flag": false, "phi": -62.9857070596914, "chainID": "B", @@ -293166,7 +221526,7 @@ } }, { - "pk": 3777, + "pk": 2801, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -293186,13 +221546,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 207, + "sidechain_THR": 146, "sidechain_TRP": null, - "next": 3778, + "next": 2802, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 3776, + "prev": 2800, "terminal_flag": false, "phi": -52.4085958206562, "chainID": "B", @@ -293227,7 +221587,7 @@ } }, { - "pk": 3778, + "pk": 2802, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -293240,7 +221600,7 @@ "oldID": "453", "bg": 87.75, "sidechain_CYS": null, - "sidechain_ILE": 238, + "sidechain_ILE": 186, "protein": "1TWF", "zeta": 34.9597198791367, "sidechain_PHE": null, @@ -293249,11 +221609,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3779, + "next": 2803, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 3777, + "prev": 2801, "terminal_flag": false, "phi": -94.6995976890162, "chainID": "B", @@ -293288,7 +221648,7 @@ } }, { - "pk": 3779, + "pk": 2803, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -293308,13 +221668,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 208, + "sidechain_THR": 147, "sidechain_TRP": null, - "next": 3780, + "next": 2804, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 3778, + "prev": 2802, "terminal_flag": false, "phi": -45.2896504212274, "chainID": "B", @@ -293349,7 +221709,7 @@ } }, { - "pk": 3780, + "pk": 2804, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -293371,11 +221731,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3781, - "sidechain_SER": 193, + "next": 2805, + "sidechain_SER": 147, "bm": 77.0, "xpr": false, - "prev": 3779, + "prev": 2803, "terminal_flag": false, "phi": -75.0036278507549, "chainID": "B", @@ -293410,7 +221770,7 @@ } }, { - "pk": 3781, + "pk": 2805, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -293432,11 +221792,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3782, + "next": 2806, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3780, + "prev": 2804, "terminal_flag": false, "phi": -70.5071812029066, "chainID": "B", @@ -293471,7 +221831,7 @@ } }, { - "pk": 3782, + "pk": 2806, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -293493,11 +221853,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3783, + "next": 2807, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3781, + "prev": 2805, "terminal_flag": false, "phi": -77.3844372043335, "chainID": "B", @@ -293524,7 +221884,7 @@ "bs": 60.0, "a2": 109.861033345323, "a5": 121.470397516634, - "sidechain_LEU": 318, + "sidechain_LEU": 258, "chainIndex": 389, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -293532,7 +221892,7 @@ } }, { - "pk": 3783, + "pk": 2807, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -293549,16 +221909,16 @@ "protein": "1TWF", "zeta": 35.1523463895129, "sidechain_PHE": null, - "sidechain_LYS": 254, + "sidechain_LYS": 175, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3784, + "next": 2808, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 3782, + "prev": 2806, "terminal_flag": false, "phi": -41.9464744581449, "chainID": "B", @@ -293593,7 +221953,7 @@ } }, { - "pk": 3784, + "pk": 2808, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -293615,11 +221975,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3785, + "next": 2809, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 3783, + "prev": 2807, "terminal_flag": false, "phi": -54.1927005844291, "chainID": "B", @@ -293638,7 +221998,7 @@ "a7": 122.698892397573, "L1": 1.32654008694823, "sidechain_ARG": null, - "sidechain_TYR": 116, + "sidechain_TYR": 73, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -293654,7 +222014,7 @@ } }, { - "pk": 3785, + "pk": 2809, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -293676,11 +222036,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3786, + "next": 2810, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 3784, + "prev": 2808, "terminal_flag": false, "phi": -59.728329222171, "chainID": "B", @@ -293715,7 +222075,7 @@ } }, { - "pk": 3786, + "pk": 2810, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -293737,11 +222097,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3787, + "next": 2811, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 3785, + "prev": 2809, "terminal_flag": false, "phi": -75.0090538830674, "chainID": "B", @@ -293768,7 +222128,7 @@ "bs": 70.0, "a2": 109.868129374759, "a5": 120.775687053596, - "sidechain_LEU": 319, + "sidechain_LEU": 259, "chainIndex": 393, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -293776,7 +222136,7 @@ } }, { - "pk": 3787, + "pk": 2811, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -293798,11 +222158,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3788, + "next": 2812, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 3786, + "prev": 2810, "terminal_flag": false, "phi": -88.6903720553935, "chainID": "B", @@ -293837,7 +222197,7 @@ } }, { - "pk": 3788, + "pk": 2812, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -293857,13 +222217,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 209, + "sidechain_THR": 148, "sidechain_TRP": null, - "next": 3789, + "next": 2813, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 3787, + "prev": 2811, "terminal_flag": false, "phi": -83.4379643876142, "chainID": "B", @@ -293898,7 +222258,7 @@ } }, { - "pk": 3789, + "pk": 2813, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -293920,11 +222280,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3790, + "next": 2814, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 3788, + "prev": 2812, "terminal_flag": false, "phi": 129.764389084494, "chainID": "B", @@ -293959,12 +222319,12 @@ } }, { - "pk": 3790, + "pk": 2814, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 158, + "sidechain_ASN": 109, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.733471165764, @@ -293981,11 +222341,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3791, + "next": 2815, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 3789, + "prev": 2813, "terminal_flag": false, "phi": -92.9321649871614, "chainID": "B", @@ -294020,7 +222380,7 @@ } }, { - "pk": 3791, + "pk": 2815, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -294041,12 +222401,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 56, - "next": 3792, + "sidechain_TRP": 24, + "next": 2816, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 3790, + "prev": 2814, "terminal_flag": false, "phi": -127.566547152171, "chainID": "B", @@ -294081,7 +222441,7 @@ } }, { - "pk": 3792, + "pk": 2816, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -294107,7 +222467,7 @@ "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 3791, + "prev": 2815, "terminal_flag": false, "phi": 163.098238898011, "chainID": "B", @@ -294142,7 +222502,7 @@ } }, { - "pk": 3793, + "pk": 2817, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -294164,7 +222524,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3794, + "next": 2818, "sidechain_SER": null, "bm": 66.0, "xpr": false, @@ -294203,7 +222563,7 @@ } }, { - "pk": 3794, + "pk": 2818, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -294225,11 +222585,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3795, + "next": 2819, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 3793, + "prev": 2817, "terminal_flag": false, "phi": 74.1826656726428, "chainID": "B", @@ -294264,7 +222624,7 @@ } }, { - "pk": 3795, + "pk": 2819, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -294282,15 +222642,15 @@ "zeta": 35.7325227891, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 260, + "sidechain_VAL": 208, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3796, + "next": 2820, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3794, + "prev": 2818, "terminal_flag": false, "phi": -62.7445107970129, "chainID": "B", @@ -294325,7 +222685,7 @@ } }, { - "pk": 3796, + "pk": 2820, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -294347,11 +222707,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3797, - "sidechain_SER": 194, + "next": 2821, + "sidechain_SER": 148, "bm": 44.0, "xpr": false, - "prev": 3795, + "prev": 2819, "terminal_flag": false, "phi": -123.162537750448, "chainID": "B", @@ -294386,7 +222746,7 @@ } }, { - "pk": 3797, + "pk": 2821, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -294408,15 +222768,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3798, + "next": 2822, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3796, + "prev": 2820, "terminal_flag": false, "phi": -136.641391221951, "chainID": "B", - "sidechain_GLN": 149, + "sidechain_GLN": 122, "ome": 178.458764366167, "chi2": 175.137223714014, "chi3": -41.9080582118227, @@ -294447,7 +222807,7 @@ } }, { - "pk": 3798, + "pk": 2822, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -294465,15 +222825,15 @@ "zeta": 36.2903437776199, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 261, + "sidechain_VAL": 209, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3799, + "next": 2823, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3797, + "prev": 2821, "terminal_flag": false, "phi": -76.2250447185621, "chainID": "B", @@ -294508,7 +222868,7 @@ } }, { - "pk": 3799, + "pk": 2823, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -294530,11 +222890,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3800, + "next": 2824, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3798, + "prev": 2822, "terminal_flag": false, "phi": -52.7739378659405, "chainID": "B", @@ -294561,7 +222921,7 @@ "bs": 39.0, "a2": 108.777781553605, "a5": 120.511689306849, - "sidechain_LEU": 320, + "sidechain_LEU": 260, "chainIndex": 406, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -294569,12 +222929,12 @@ } }, { - "pk": 3800, + "pk": 2824, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 159, + "sidechain_ASN": 110, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.448038556065, @@ -294591,11 +222951,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3801, + "next": 2825, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3799, + "prev": 2823, "terminal_flag": false, "phi": -70.2503676235583, "chainID": "B", @@ -294630,7 +222990,7 @@ } }, { - "pk": 3801, + "pk": 2825, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -294652,11 +223012,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3802, + "next": 2826, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3800, + "prev": 2824, "terminal_flag": false, "phi": -145.27602135445, "chainID": "B", @@ -294674,7 +223034,7 @@ "L3": 1.52762042859527, "a7": 122.400617350158, "L1": 1.3240081282665, - "sidechain_ARG": 188, + "sidechain_ARG": 147, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -294691,7 +223051,7 @@ } }, { - "pk": 3802, + "pk": 2826, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -294713,11 +223073,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3803, + "next": 2827, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3801, + "prev": 2825, "terminal_flag": false, "phi": -60.1791201593701, "chainID": "B", @@ -294736,7 +223096,7 @@ "a7": 123.431104638323, "L1": 1.32435706518987, "sidechain_ARG": null, - "sidechain_TYR": 117, + "sidechain_TYR": 74, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -294752,7 +223112,7 @@ } }, { - "pk": 3803, + "pk": 2827, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -294772,13 +223132,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 210, + "sidechain_THR": 149, "sidechain_TRP": null, - "next": 3804, + "next": 2828, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3802, + "prev": 2826, "terminal_flag": false, "phi": -137.190479065752, "chainID": "B", @@ -294813,7 +223173,7 @@ } }, { - "pk": 3804, + "pk": 2828, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -294835,11 +223195,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3805, + "next": 2829, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 3803, + "prev": 2827, "terminal_flag": false, "phi": -51.1804458921295, "chainID": "B", @@ -294858,7 +223218,7 @@ "a7": 122.374114776298, "L1": 1.32995561694069, "sidechain_ARG": null, - "sidechain_TYR": 118, + "sidechain_TYR": 75, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -294874,7 +223234,7 @@ } }, { - "pk": 3805, + "pk": 2829, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -294896,11 +223256,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3806, - "sidechain_SER": 195, + "next": 2830, + "sidechain_SER": 149, "bm": 31.0, "xpr": false, - "prev": 3804, + "prev": 2828, "terminal_flag": false, "phi": -63.422867910097, "chainID": "B", @@ -294935,7 +223295,7 @@ } }, { - "pk": 3806, + "pk": 2830, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -294957,11 +223317,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3807, - "sidechain_SER": 196, + "next": 2831, + "sidechain_SER": 150, "bm": 27.0, "xpr": false, - "prev": 3805, + "prev": 2829, "terminal_flag": false, "phi": -70.9320123851966, "chainID": "B", @@ -294996,7 +223356,7 @@ } }, { - "pk": 3807, + "pk": 2831, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -295016,13 +223376,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 211, + "sidechain_THR": 150, "sidechain_TRP": null, - "next": 3808, + "next": 2832, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3806, + "prev": 2830, "terminal_flag": false, "phi": -74.8853597781026, "chainID": "B", @@ -295057,7 +223417,7 @@ } }, { - "pk": 3808, + "pk": 2832, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -295079,11 +223439,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3809, + "next": 2833, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3807, + "prev": 2831, "terminal_flag": false, "phi": -53.0341337835016, "chainID": "B", @@ -295110,7 +223470,7 @@ "bs": 31.0, "a2": 110.456207988396, "a5": 121.255870973065, - "sidechain_LEU": 321, + "sidechain_LEU": 261, "chainIndex": 415, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -295118,7 +223478,7 @@ } }, { - "pk": 3809, + "pk": 2833, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -295140,11 +223500,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3810, - "sidechain_SER": 197, + "next": 2834, + "sidechain_SER": 151, "bm": 27.0, "xpr": false, - "prev": 3808, + "prev": 2832, "terminal_flag": false, "phi": -51.4005350962668, "chainID": "B", @@ -295179,7 +223539,7 @@ } }, { - "pk": 3810, + "pk": 2834, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -295201,11 +223561,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3811, + "next": 2835, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3809, + "prev": 2833, "terminal_flag": false, "phi": -65.5459055298537, "chainID": "B", @@ -295234,13 +223594,13 @@ "a5": 120.777469167746, "sidechain_LEU": null, "chainIndex": 417, - "sidechain_HIS": 98, + "sidechain_HIS": 76, "h_bond_energy": 0.0, "a4": 109.767547001738 } }, { - "pk": 3811, + "pk": 2835, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -295262,11 +223622,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3812, + "next": 2836, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 3810, + "prev": 2834, "terminal_flag": false, "phi": -69.5213065419619, "chainID": "B", @@ -295293,7 +223653,7 @@ "bs": 28.0, "a2": 110.000650054259, "a5": 120.243605905125, - "sidechain_LEU": 322, + "sidechain_LEU": 262, "chainIndex": 418, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -295301,7 +223661,7 @@ } }, { - "pk": 3812, + "pk": 2836, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -295323,11 +223683,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3813, + "next": 2837, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3811, + "prev": 2835, "terminal_flag": false, "phi": -121.940994159732, "chainID": "B", @@ -295345,7 +223705,7 @@ "L3": 1.5288787279771, "a7": 123.358321912461, "L1": 1.33171658587756, - "sidechain_ARG": 189, + "sidechain_ARG": 148, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -295362,7 +223722,7 @@ } }, { - "pk": 3813, + "pk": 2837, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -295384,11 +223744,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3814, + "next": 2838, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3812, + "prev": 2836, "terminal_flag": false, "phi": -78.2440401995451, "chainID": "B", @@ -295406,7 +223766,7 @@ "L3": 1.51910598801352, "a7": 122.480001427847, "L1": 1.33322577222899, - "sidechain_ARG": 190, + "sidechain_ARG": 149, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -295423,7 +223783,7 @@ } }, { - "pk": 3814, + "pk": 2838, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -295443,13 +223803,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 212, + "sidechain_THR": 151, "sidechain_TRP": null, - "next": 3815, + "next": 2839, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3813, + "prev": 2837, "terminal_flag": false, "phi": -140.40104396562, "chainID": "B", @@ -295484,12 +223844,12 @@ } }, { - "pk": 3815, + "pk": 2839, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 160, + "sidechain_ASN": 111, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.363211029927, @@ -295506,11 +223866,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3816, + "next": 2840, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3814, + "prev": 2838, "terminal_flag": false, "phi": -137.857376401776, "chainID": "B", @@ -295545,7 +223905,7 @@ } }, { - "pk": 3816, + "pk": 2840, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -295565,13 +223925,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 213, + "sidechain_THR": 152, "sidechain_TRP": null, - "next": 3817, + "next": 2841, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3815, + "prev": 2839, "terminal_flag": false, "phi": -122.860045867296, "chainID": "B", @@ -295606,11 +223966,11 @@ } }, { - "pk": 3817, + "pk": 2841, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 189, + "sidechain_PRO": 133, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -295628,11 +223988,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3818, + "next": 2842, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3816, + "prev": 2840, "terminal_flag": false, "phi": -63.9844271270401, "chainID": "B", @@ -295667,7 +224027,7 @@ } }, { - "pk": 3818, + "pk": 2842, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -295680,7 +224040,7 @@ "oldID": "502", "bg": 70.33, "sidechain_CYS": null, - "sidechain_ILE": 239, + "sidechain_ILE": 187, "protein": "1TWF", "zeta": 35.0268823278639, "sidechain_PHE": null, @@ -295693,7 +224053,7 @@ "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3817, + "prev": 2841, "terminal_flag": false, "phi": 53.1499811820236, "chainID": "B", @@ -295728,7 +224088,7 @@ } }, { - "pk": 3819, + "pk": 2843, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -295750,7 +224110,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3820, + "next": 2844, "sidechain_SER": null, "bm": 59.0, "xpr": false, @@ -295789,7 +224149,7 @@ } }, { - "pk": 3820, + "pk": 2844, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -295806,16 +224166,16 @@ "protein": "1TWF", "zeta": 34.3053235455304, "sidechain_PHE": null, - "sidechain_LYS": 255, + "sidechain_LYS": 176, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3821, + "next": 2845, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3819, + "prev": 2843, "terminal_flag": false, "phi": -128.905039559612, "chainID": "B", @@ -295850,11 +224210,11 @@ } }, { - "pk": 3821, + "pk": 2845, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 190, + "sidechain_PRO": 134, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -295872,11 +224232,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3822, + "next": 2846, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3820, + "prev": 2844, "terminal_flag": false, "phi": -56.8308916345719, "chainID": "B", @@ -295911,7 +224271,7 @@ } }, { - "pk": 3822, + "pk": 2846, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -295933,11 +224293,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3823, + "next": 2847, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3821, + "prev": 2845, "terminal_flag": false, "phi": -69.564915057642, "chainID": "B", @@ -295955,7 +224315,7 @@ "L3": 1.53045283381297, "a7": 123.374126247744, "L1": 1.32539869835367, - "sidechain_ARG": 191, + "sidechain_ARG": 150, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -295972,7 +224332,7 @@ } }, { - "pk": 3823, + "pk": 2847, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -295994,15 +224354,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3824, + "next": 2848, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3822, + "prev": 2846, "terminal_flag": false, "phi": -65.8175390607542, "chainID": "B", - "sidechain_GLN": 150, + "sidechain_GLN": 123, "ome": 178.25556398139, "chi2": 60.239712815271, "chi3": 43.3193411865525, @@ -296033,7 +224393,7 @@ } }, { - "pk": 3824, + "pk": 2848, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -296055,11 +224415,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3825, + "next": 2849, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 3823, + "prev": 2847, "terminal_flag": false, "phi": -87.1320465328671, "chainID": "B", @@ -296086,7 +224446,7 @@ "bs": 20.0, "a2": 110.046601413067, "a5": 120.461858799628, - "sidechain_LEU": 323, + "sidechain_LEU": 263, "chainIndex": 431, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -296094,7 +224454,7 @@ } }, { - "pk": 3825, + "pk": 2849, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -296116,11 +224476,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3826, + "next": 2850, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 3824, + "prev": 2848, "terminal_flag": false, "phi": -78.9195720682702, "chainID": "B", @@ -296149,18 +224509,18 @@ "a5": 121.632081990934, "sidechain_LEU": null, "chainIndex": 432, - "sidechain_HIS": 99, + "sidechain_HIS": 77, "h_bond_energy": 0.0, "a4": 108.159609239326 } }, { - "pk": 3826, + "pk": 2850, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 161, + "sidechain_ASN": 112, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.59394918644, @@ -296177,11 +224537,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3827, + "next": 2851, "sidechain_SER": null, "bm": 19.0, "xpr": false, - "prev": 3825, + "prev": 2849, "terminal_flag": false, "phi": -48.2560416093951, "chainID": "B", @@ -296216,7 +224576,7 @@ } }, { - "pk": 3827, + "pk": 2851, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -296236,13 +224596,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 214, + "sidechain_THR": 153, "sidechain_TRP": null, - "next": 3828, + "next": 2852, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 3826, + "prev": 2850, "terminal_flag": false, "phi": -70.8530635117089, "chainID": "B", @@ -296277,7 +224637,7 @@ } }, { - "pk": 3828, + "pk": 2852, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -296299,11 +224659,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3829, + "next": 2853, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3827, + "prev": 2851, "terminal_flag": false, "phi": -66.9873077370918, "chainID": "B", @@ -296332,13 +224692,13 @@ "a5": 120.121170405641, "sidechain_LEU": null, "chainIndex": 435, - "sidechain_HIS": 100, + "sidechain_HIS": 78, "h_bond_energy": 0.0, "a4": 109.051368932594 } }, { - "pk": 3829, + "pk": 2853, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -296359,12 +224719,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 57, - "next": 3830, + "sidechain_TRP": 25, + "next": 2854, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3828, + "prev": 2852, "terminal_flag": false, "phi": -44.0853685703675, "chainID": "B", @@ -296399,7 +224759,7 @@ } }, { - "pk": 3830, + "pk": 2854, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -296421,11 +224781,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3831, + "next": 2855, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 3829, + "prev": 2853, "terminal_flag": false, "phi": 65.3429327168159, "chainID": "B", @@ -296460,7 +224820,7 @@ } }, { - "pk": 3831, + "pk": 2855, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -296482,11 +224842,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3832, + "next": 2856, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 3830, + "prev": 2854, "terminal_flag": false, "phi": -108.450422679372, "chainID": "B", @@ -296513,7 +224873,7 @@ "bs": 21.0, "a2": 109.946797952415, "a5": 120.9619010709, - "sidechain_LEU": 324, + "sidechain_LEU": 264, "chainIndex": 438, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -296521,7 +224881,7 @@ } }, { - "pk": 3832, + "pk": 2856, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -296539,15 +224899,15 @@ "zeta": 35.2968786032902, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 262, + "sidechain_VAL": 210, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3833, + "next": 2857, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3831, + "prev": 2855, "terminal_flag": false, "phi": -133.893959881431, "chainID": "B", @@ -296582,7 +224942,7 @@ } }, { - "pk": 3833, + "pk": 2857, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -296594,7 +224954,7 @@ "psi": 131.804087311133, "oldID": "523", "bg": 24.51, - "sidechain_CYS": 71, + "sidechain_CYS": 53, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.3653269419316, @@ -296604,11 +224964,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3834, + "next": 2858, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 3832, + "prev": 2856, "terminal_flag": false, "phi": -52.7411952091477, "chainID": "B", @@ -296643,11 +225003,11 @@ } }, { - "pk": 3834, + "pk": 2858, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 191, + "sidechain_PRO": 135, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -296665,11 +225025,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3835, + "next": 2859, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3833, + "prev": 2857, "terminal_flag": false, "phi": -80.3044520679698, "chainID": "B", @@ -296704,7 +225064,7 @@ } }, { - "pk": 3835, + "pk": 2859, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -296726,11 +225086,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3836, + "next": 2860, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 3834, + "prev": 2858, "terminal_flag": false, "phi": -100.4848729835, "chainID": "B", @@ -296765,7 +225125,7 @@ } }, { - "pk": 3836, + "pk": 2860, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -296787,11 +225147,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3837, + "next": 2861, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3835, + "prev": 2859, "terminal_flag": false, "phi": -80.5991686994823, "chainID": "B", @@ -296811,7 +225171,7 @@ "L1": 1.32556037264992, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 274, + "sidechain_GLU": 216, "omep": null, "ss": "-", "a3": 119.488770458592, @@ -296826,7 +225186,7 @@ } }, { - "pk": 3837, + "pk": 2861, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -296846,13 +225206,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 215, + "sidechain_THR": 154, "sidechain_TRP": null, - "next": 3838, + "next": 2862, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3836, + "prev": 2860, "terminal_flag": false, "phi": -148.234768080696, "chainID": "B", @@ -296887,11 +225247,11 @@ } }, { - "pk": 3838, + "pk": 2862, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 192, + "sidechain_PRO": 136, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -296909,11 +225269,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3839, + "next": 2863, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3837, + "prev": 2861, "terminal_flag": false, "phi": -65.1658670361192, "chainID": "B", @@ -296948,7 +225308,7 @@ } }, { - "pk": 3839, + "pk": 2863, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -296970,11 +225330,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3840, + "next": 2864, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3838, + "prev": 2862, "terminal_flag": false, "phi": -76.6070189466731, "chainID": "B", @@ -296994,7 +225354,7 @@ "L1": 1.32807579033728, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 275, + "sidechain_GLU": 217, "omep": null, "ss": "S", "a3": 110.683283156844, @@ -297009,7 +225369,7 @@ } }, { - "pk": 3840, + "pk": 2864, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -297031,11 +225391,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3841, + "next": 2865, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3839, + "prev": 2863, "terminal_flag": false, "phi": 91.8319632564733, "chainID": "B", @@ -297070,7 +225430,7 @@ } }, { - "pk": 3841, + "pk": 2865, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -297092,15 +225452,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3842, + "next": 2866, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3840, + "prev": 2864, "terminal_flag": false, "phi": -72.2734992841236, "chainID": "B", - "sidechain_GLN": 151, + "sidechain_GLN": 124, "ome": -178.87099437492, "chi2": -66.9645254456429, "chi3": -42.6967754794765, @@ -297131,7 +225491,7 @@ } }, { - "pk": 3842, + "pk": 2866, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -297153,11 +225513,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3843, + "next": 2867, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3841, + "prev": 2865, "terminal_flag": false, "phi": -91.4966296730124, "chainID": "B", @@ -297192,7 +225552,7 @@ } }, { - "pk": 3843, + "pk": 2867, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -297204,7 +225564,7 @@ "psi": 117.266138826941, "oldID": "533", "bg": 44.33, - "sidechain_CYS": 72, + "sidechain_CYS": 54, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.0206904975465, @@ -297214,11 +225574,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3844, + "next": 2868, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3842, + "prev": 2866, "terminal_flag": false, "phi": -60.2383139863866, "chainID": "B", @@ -297253,7 +225613,7 @@ } }, { - "pk": 3844, + "pk": 2868, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -297275,11 +225635,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3845, + "next": 2869, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3843, + "prev": 2867, "terminal_flag": false, "phi": 94.9553349995929, "chainID": "B", @@ -297314,7 +225674,7 @@ } }, { - "pk": 3845, + "pk": 2869, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -297336,11 +225696,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3846, + "next": 2870, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3844, + "prev": 2868, "terminal_flag": false, "phi": -86.2229023893396, "chainID": "B", @@ -297367,7 +225727,7 @@ "bs": 45.0, "a2": 110.13913546156, "a5": 120.590397899441, - "sidechain_LEU": 325, + "sidechain_LEU": 265, "chainIndex": 452, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -297375,7 +225735,7 @@ } }, { - "pk": 3846, + "pk": 2870, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -297393,15 +225753,15 @@ "zeta": 33.7415427836646, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 263, + "sidechain_VAL": 211, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3847, + "next": 2871, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3845, + "prev": 2869, "terminal_flag": false, "phi": -97.4017329365973, "chainID": "B", @@ -297436,7 +225796,7 @@ } }, { - "pk": 3847, + "pk": 2871, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -297453,16 +225813,16 @@ "protein": "1TWF", "zeta": 34.0637443726531, "sidechain_PHE": null, - "sidechain_LYS": 256, + "sidechain_LYS": 177, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3848, + "next": 2872, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 3846, + "prev": 2870, "terminal_flag": false, "phi": -121.311470211654, "chainID": "B", @@ -297497,12 +225857,12 @@ } }, { - "pk": 3848, + "pk": 2872, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 162, + "sidechain_ASN": 113, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.050324584643, @@ -297519,11 +225879,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3849, + "next": 2873, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 3847, + "prev": 2871, "terminal_flag": false, "phi": -133.712421596455, "chainID": "B", @@ -297558,7 +225918,7 @@ } }, { - "pk": 3849, + "pk": 2873, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -297580,11 +225940,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3850, + "next": 2874, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 3848, + "prev": 2872, "terminal_flag": false, "phi": -56.2629809580803, "chainID": "B", @@ -297611,7 +225971,7 @@ "bs": 24.0, "a2": 108.392667713464, "a5": 119.476360743471, - "sidechain_LEU": 326, + "sidechain_LEU": 266, "chainIndex": 456, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -297619,7 +225979,7 @@ } }, { - "pk": 3850, + "pk": 2874, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -297641,11 +226001,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3851, - "sidechain_SER": 198, + "next": 2875, + "sidechain_SER": 152, "bm": 25.0, "xpr": false, - "prev": 3849, + "prev": 2873, "terminal_flag": false, "phi": -69.356233752351, "chainID": "B", @@ -297680,7 +226040,7 @@ } }, { - "pk": 3851, + "pk": 2875, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -297702,11 +226062,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3852, + "next": 2876, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 3850, + "prev": 2874, "terminal_flag": false, "phi": -41.9881218851425, "chainID": "B", @@ -297733,7 +226093,7 @@ "bs": 25.0, "a2": 112.045987428751, "a5": 119.87701492625, - "sidechain_LEU": 327, + "sidechain_LEU": 267, "chainIndex": 458, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -297741,7 +226101,7 @@ } }, { - "pk": 3852, + "pk": 2876, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -297760,14 +226120,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 99, + "sidechain_MET": 72, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3853, + "next": 2877, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 3851, + "prev": 2875, "terminal_flag": false, "phi": -99.7401646614246, "chainID": "B", @@ -297802,7 +226162,7 @@ } }, { - "pk": 3853, + "pk": 2877, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -297824,11 +226184,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3854, - "sidechain_SER": 199, + "next": 2878, + "sidechain_SER": 153, "bm": 33.0, "xpr": false, - "prev": 3852, + "prev": 2876, "terminal_flag": false, "phi": -75.7524139735172, "chainID": "B", @@ -297863,7 +226223,7 @@ } }, { - "pk": 3854, + "pk": 2878, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -297875,7 +226235,7 @@ "psi": 163.778343698767, "oldID": "544", "bg": 33.33, - "sidechain_CYS": 73, + "sidechain_CYS": 55, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.198955821831, @@ -297885,11 +226245,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3855, + "next": 2879, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3853, + "prev": 2877, "terminal_flag": false, "phi": -147.560796286277, "chainID": "B", @@ -297924,7 +226284,7 @@ } }, { - "pk": 3855, + "pk": 2879, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -297937,7 +226297,7 @@ "oldID": "545", "bg": 31.34, "sidechain_CYS": null, - "sidechain_ILE": 240, + "sidechain_ILE": 188, "protein": "1TWF", "zeta": 32.7620845946354, "sidechain_PHE": null, @@ -297946,11 +226306,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3856, + "next": 2880, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3854, + "prev": 2878, "terminal_flag": false, "phi": -123.90965036715, "chainID": "B", @@ -297985,7 +226345,7 @@ } }, { - "pk": 3856, + "pk": 2880, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -298007,11 +226367,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3857, - "sidechain_SER": 200, + "next": 2881, + "sidechain_SER": 154, "bm": 30.0, "xpr": false, - "prev": 3855, + "prev": 2879, "terminal_flag": false, "phi": -62.3824863470813, "chainID": "B", @@ -298046,7 +226406,7 @@ } }, { - "pk": 3857, + "pk": 2881, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -298064,15 +226424,15 @@ "zeta": 35.3916553530707, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 264, + "sidechain_VAL": 212, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3858, + "next": 2882, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 3856, + "prev": 2880, "terminal_flag": false, "phi": -90.5269510661766, "chainID": "B", @@ -298107,7 +226467,7 @@ } }, { - "pk": 3858, + "pk": 2882, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -298129,11 +226489,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3859, + "next": 2883, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3857, + "prev": 2881, "terminal_flag": false, "phi": 92.1165493135227, "chainID": "B", @@ -298168,7 +226528,7 @@ } }, { - "pk": 3859, + "pk": 2883, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -298188,13 +226548,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 216, + "sidechain_THR": 155, "sidechain_TRP": null, - "next": 3860, + "next": 2884, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3858, + "prev": 2882, "terminal_flag": false, "phi": -130.800519710384, "chainID": "B", @@ -298229,14 +226589,14 @@ } }, { - "pk": 3860, + "pk": 2884, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 240, + "sidechain_ASP": 187, "a6": 117.126061421291, "psi": 127.493036196945, "oldID": "550", @@ -298251,11 +226611,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3861, + "next": 2885, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3859, + "prev": 2883, "terminal_flag": false, "phi": -69.8944484107206, "chainID": "B", @@ -298290,11 +226650,11 @@ } }, { - "pk": 3861, + "pk": 2885, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 193, + "sidechain_PRO": 137, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -298312,11 +226672,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3862, + "next": 2886, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 3860, + "prev": 2884, "terminal_flag": false, "phi": -88.2532871121533, "chainID": "B", @@ -298351,7 +226711,7 @@ } }, { - "pk": 3862, + "pk": 2886, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -298370,14 +226730,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 100, + "sidechain_MET": 73, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3863, + "next": 2887, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3861, + "prev": 2885, "terminal_flag": false, "phi": -50.1298465177951, "chainID": "B", @@ -298412,11 +226772,11 @@ } }, { - "pk": 3863, + "pk": 2887, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 194, + "sidechain_PRO": 138, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -298434,11 +226794,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3864, + "next": 2888, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 3862, + "prev": 2886, "terminal_flag": false, "phi": -53.2679936619996, "chainID": "B", @@ -298473,7 +226833,7 @@ } }, { - "pk": 3864, + "pk": 2888, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -298486,7 +226846,7 @@ "oldID": "554", "bg": 49.18, "sidechain_CYS": null, - "sidechain_ILE": 241, + "sidechain_ILE": 189, "protein": "1TWF", "zeta": 35.0877644537506, "sidechain_PHE": null, @@ -298495,11 +226855,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3865, + "next": 2889, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3863, + "prev": 2887, "terminal_flag": false, "phi": -53.1261978326437, "chainID": "B", @@ -298534,7 +226894,7 @@ } }, { - "pk": 3865, + "pk": 2889, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -298547,7 +226907,7 @@ "oldID": "555", "bg": 41.06, "sidechain_CYS": null, - "sidechain_ILE": 242, + "sidechain_ILE": 190, "protein": "1TWF", "zeta": 33.5690976912445, "sidechain_PHE": null, @@ -298556,11 +226916,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3866, + "next": 2890, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3864, + "prev": 2888, "terminal_flag": false, "phi": -53.5356458270413, "chainID": "B", @@ -298595,7 +226955,7 @@ } }, { - "pk": 3866, + "pk": 2890, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -298615,13 +226975,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 217, + "sidechain_THR": 156, "sidechain_TRP": null, - "next": 3867, + "next": 2891, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3865, + "prev": 2889, "terminal_flag": false, "phi": -56.5760325674049, "chainID": "B", @@ -298656,7 +227016,7 @@ } }, { - "pk": 3867, + "pk": 2891, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -298672,17 +227032,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.0986077109407, - "sidechain_PHE": 145, + "sidechain_PHE": 112, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3868, + "next": 2892, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3866, + "prev": 2890, "terminal_flag": false, "phi": -55.9338506948336, "chainID": "B", @@ -298717,7 +227077,7 @@ } }, { - "pk": 3868, + "pk": 2892, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -298739,11 +227099,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3869, + "next": 2893, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3867, + "prev": 2891, "terminal_flag": false, "phi": -63.1765184861775, "chainID": "B", @@ -298770,7 +227130,7 @@ "bs": 53.0, "a2": 110.81558723617, "a5": 120.556904458881, - "sidechain_LEU": 328, + "sidechain_LEU": 268, "chainIndex": 475, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -298778,7 +227138,7 @@ } }, { - "pk": 3869, + "pk": 2893, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -298800,11 +227160,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3870, - "sidechain_SER": 201, + "next": 2894, + "sidechain_SER": 155, "bm": 63.0, "xpr": false, - "prev": 3868, + "prev": 2892, "terminal_flag": false, "phi": -72.0620423259736, "chainID": "B", @@ -298839,7 +227199,7 @@ } }, { - "pk": 3870, + "pk": 2894, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -298861,11 +227221,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3871, + "next": 2895, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3869, + "prev": 2893, "terminal_flag": false, "phi": -74.8398852795919, "chainID": "B", @@ -298885,7 +227245,7 @@ "L1": 1.3277775714868, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 276, + "sidechain_GLU": 218, "omep": null, "ss": "H", "a3": 110.260148719171, @@ -298900,7 +227260,7 @@ } }, { - "pk": 3871, + "pk": 2895, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -298921,12 +227281,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 58, - "next": 3872, + "sidechain_TRP": 26, + "next": 2896, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3870, + "prev": 2894, "terminal_flag": false, "phi": -107.915286652877, "chainID": "B", @@ -298961,7 +227321,7 @@ } }, { - "pk": 3872, + "pk": 2896, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -298983,11 +227343,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3873, + "next": 2897, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3871, + "prev": 2895, "terminal_flag": false, "phi": 98.9583785793457, "chainID": "B", @@ -299022,7 +227382,7 @@ } }, { - "pk": 3873, + "pk": 2897, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -299041,14 +227401,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 101, + "sidechain_MET": 74, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3874, + "next": 2898, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 3872, + "prev": 2896, "terminal_flag": false, "phi": -77.360882677243, "chainID": "B", @@ -299083,7 +227443,7 @@ } }, { - "pk": 3874, + "pk": 2898, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -299105,11 +227465,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3875, + "next": 2899, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3873, + "prev": 2897, "terminal_flag": false, "phi": -80.6305054735604, "chainID": "B", @@ -299129,7 +227489,7 @@ "L1": 1.32614010300961, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 277, + "sidechain_GLU": 219, "omep": null, "ss": "E", "a3": 109.54069317577, @@ -299144,11 +227504,11 @@ } }, { - "pk": 3875, + "pk": 2899, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 195, + "sidechain_PRO": 139, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -299166,11 +227526,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3876, + "next": 2900, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3874, + "prev": 2898, "terminal_flag": false, "phi": -66.7939418175172, "chainID": "B", @@ -299205,7 +227565,7 @@ } }, { - "pk": 3876, + "pk": 2900, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -299227,11 +227587,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3877, + "next": 2901, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 3875, + "prev": 2899, "terminal_flag": false, "phi": -62.4492464598017, "chainID": "B", @@ -299258,7 +227618,7 @@ "bs": 68.0, "a2": 109.566251170449, "a5": 120.820739820281, - "sidechain_LEU": 329, + "sidechain_LEU": 269, "chainIndex": 483, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -299266,7 +227626,7 @@ } }, { - "pk": 3877, + "pk": 2901, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -299288,11 +227648,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3878, + "next": 2902, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 3876, + "prev": 2900, "terminal_flag": false, "phi": -58.4310590714523, "chainID": "B", @@ -299312,7 +227672,7 @@ "L1": 1.33013489100398, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 278, + "sidechain_GLU": 220, "omep": null, "ss": "G", "a3": 109.444900184044, @@ -299327,14 +227687,14 @@ } }, { - "pk": 3878, + "pk": 2902, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 241, + "sidechain_ASP": 188, "a6": 116.610007935554, "psi": 42.069541318215, "oldID": "568", @@ -299349,11 +227709,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3879, + "next": 2903, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 3877, + "prev": 2901, "terminal_flag": false, "phi": -103.170948908519, "chainID": "B", @@ -299388,7 +227748,7 @@ } }, { - "pk": 3879, + "pk": 2903, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -299410,11 +227770,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3880, + "next": 2904, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3878, + "prev": 2902, "terminal_flag": false, "phi": -112.758686814208, "chainID": "B", @@ -299433,7 +227793,7 @@ "a7": 123.216914521402, "L1": 1.32717340308073, "sidechain_ARG": null, - "sidechain_TYR": 119, + "sidechain_TYR": 76, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -299449,7 +227809,7 @@ } }, { - "pk": 3880, + "pk": 2904, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -299467,15 +227827,15 @@ "zeta": 34.8867373852841, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 265, + "sidechain_VAL": 213, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3881, + "next": 2905, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 3879, + "prev": 2903, "terminal_flag": false, "phi": -133.53418492959, "chainID": "B", @@ -299510,11 +227870,11 @@ } }, { - "pk": 3881, + "pk": 2905, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 196, + "sidechain_PRO": 140, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -299532,11 +227892,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3882, + "next": 2906, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 3880, + "prev": 2904, "terminal_flag": false, "phi": -51.4094194061944, "chainID": "B", @@ -299571,7 +227931,7 @@ } }, { - "pk": 3882, + "pk": 2906, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -299593,11 +227953,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3883, + "next": 2907, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 3881, + "prev": 2905, "terminal_flag": false, "phi": -64.7269047147286, "chainID": "B", @@ -299626,13 +227986,13 @@ "a5": 120.658108373786, "sidechain_LEU": null, "chainIndex": 489, - "sidechain_HIS": 101, + "sidechain_HIS": 79, "h_bond_energy": 0.0, "a4": 109.593675440544 } }, { - "pk": 3883, + "pk": 2907, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -299654,15 +228014,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3884, + "next": 2908, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 3882, + "prev": 2906, "terminal_flag": false, "phi": -107.459702767428, "chainID": "B", - "sidechain_GLN": 152, + "sidechain_GLN": 125, "ome": 179.430866160708, "chi2": -177.38569767162, "chi3": 38.8273278613776, @@ -299693,7 +228053,7 @@ } }, { - "pk": 3884, + "pk": 2908, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -299715,11 +228075,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3885, - "sidechain_SER": 202, + "next": 2909, + "sidechain_SER": 156, "bm": 85.0, "xpr": false, - "prev": 3883, + "prev": 2907, "terminal_flag": false, "phi": -162.488055857973, "chainID": "B", @@ -299754,11 +228114,11 @@ } }, { - "pk": 3885, + "pk": 2909, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 197, + "sidechain_PRO": 141, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -299776,11 +228136,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3886, + "next": 2910, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 3884, + "prev": 2908, "terminal_flag": false, "phi": -62.1823956042333, "chainID": "B", @@ -299815,14 +228175,14 @@ } }, { - "pk": 3886, + "pk": 2910, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 242, + "sidechain_ASP": 189, "a6": 116.219740416197, "psi": -15.2945468032695, "oldID": "576", @@ -299837,11 +228197,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3887, + "next": 2911, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 3885, + "prev": 2909, "terminal_flag": false, "phi": -60.3472223803559, "chainID": "B", @@ -299876,7 +228236,7 @@ } }, { - "pk": 3887, + "pk": 2911, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -299898,11 +228258,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3888, + "next": 2912, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 3886, + "prev": 2910, "terminal_flag": false, "phi": -49.3016738457042, "chainID": "B", @@ -299937,7 +228297,7 @@ } }, { - "pk": 3888, + "pk": 2912, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -299957,13 +228317,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 218, + "sidechain_THR": 157, "sidechain_TRP": null, - "next": 3889, + "next": 2913, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3887, + "prev": 2911, "terminal_flag": false, "phi": -93.4571369884557, "chainID": "B", @@ -299998,7 +228358,7 @@ } }, { - "pk": 3889, + "pk": 2913, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -300020,11 +228380,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3890, + "next": 2914, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3888, + "prev": 2912, "terminal_flag": false, "phi": -88.9086019401351, "chainID": "B", @@ -300042,7 +228402,7 @@ "L3": 1.53677693208772, "a7": 123.500721005083, "L1": 1.32939487845596, - "sidechain_ARG": 192, + "sidechain_ARG": 151, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -300059,7 +228419,7 @@ } }, { - "pk": 3890, + "pk": 2914, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -300077,15 +228437,15 @@ "zeta": 34.83546166691, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 266, + "sidechain_VAL": 214, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3891, + "next": 2915, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3889, + "prev": 2913, "terminal_flag": false, "phi": -107.406812228263, "chainID": "B", @@ -300120,7 +228480,7 @@ } }, { - "pk": 3891, + "pk": 2915, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -300136,17 +228496,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.6733944204664, - "sidechain_PHE": 146, + "sidechain_PHE": 113, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3892, + "next": 2916, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3890, + "prev": 2914, "terminal_flag": false, "phi": -114.063292047938, "chainID": "B", @@ -300181,7 +228541,7 @@ } }, { - "pk": 3892, + "pk": 2916, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -300199,15 +228559,15 @@ "zeta": 34.6861441547231, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 267, + "sidechain_VAL": 215, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3893, + "next": 2917, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3891, + "prev": 2915, "terminal_flag": false, "phi": -139.27644690611, "chainID": "B", @@ -300242,12 +228602,12 @@ } }, { - "pk": 3893, + "pk": 2917, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 163, + "sidechain_ASN": 114, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.394656818032, @@ -300264,11 +228624,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3894, + "next": 2918, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3892, + "prev": 2916, "terminal_flag": false, "phi": 50.7739568909191, "chainID": "B", @@ -300303,7 +228663,7 @@ } }, { - "pk": 3894, + "pk": 2918, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -300325,11 +228685,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3895, + "next": 2919, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3893, + "prev": 2917, "terminal_flag": false, "phi": 87.1116733363627, "chainID": "B", @@ -300364,7 +228724,7 @@ } }, { - "pk": 3895, + "pk": 2919, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -300382,15 +228742,15 @@ "zeta": 34.3213687822905, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 268, + "sidechain_VAL": 216, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3896, + "next": 2920, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3894, + "prev": 2918, "terminal_flag": false, "phi": -95.9744638872304, "chainID": "B", @@ -300425,7 +228785,7 @@ } }, { - "pk": 3896, + "pk": 2920, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -300446,12 +228806,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 59, - "next": 3897, + "sidechain_TRP": 27, + "next": 2921, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3895, + "prev": 2919, "terminal_flag": false, "phi": -80.1828536508404, "chainID": "B", @@ -300486,7 +228846,7 @@ } }, { - "pk": 3897, + "pk": 2921, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -300508,11 +228868,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3898, + "next": 2922, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3896, + "prev": 2920, "terminal_flag": false, "phi": -92.0449636051037, "chainID": "B", @@ -300541,13 +228901,13 @@ "a5": 120.50904486941, "sidechain_LEU": null, "chainIndex": 504, - "sidechain_HIS": 102, + "sidechain_HIS": 80, "h_bond_energy": 0.0, "a4": 108.966488973415 } }, { - "pk": 3898, + "pk": 2922, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -300569,11 +228929,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3899, + "next": 2923, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3897, + "prev": 2921, "terminal_flag": false, "phi": 169.402760214706, "chainID": "B", @@ -300608,7 +228968,7 @@ } }, { - "pk": 3899, + "pk": 2923, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -300626,15 +228986,15 @@ "zeta": 35.6730481325274, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 269, + "sidechain_VAL": 217, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3900, + "next": 2924, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3898, + "prev": 2922, "terminal_flag": false, "phi": -135.521626883955, "chainID": "B", @@ -300669,7 +229029,7 @@ } }, { - "pk": 3900, + "pk": 2924, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -300691,11 +229051,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3901, + "next": 2925, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 3899, + "prev": 2923, "terminal_flag": false, "phi": -151.622660120756, "chainID": "B", @@ -300724,13 +229084,13 @@ "a5": 121.01904819719, "sidechain_LEU": null, "chainIndex": 507, - "sidechain_HIS": 103, + "sidechain_HIS": 81, "h_bond_energy": 0.0, "a4": 110.579566632242 } }, { - "pk": 3901, + "pk": 2925, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -300752,11 +229112,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3902, + "next": 2926, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3900, + "prev": 2924, "terminal_flag": false, "phi": -85.2592116639233, "chainID": "B", @@ -300774,7 +229134,7 @@ "L3": 1.5241986498121, "a7": 122.401347259146, "L1": 1.33378597599414, - "sidechain_ARG": 193, + "sidechain_ARG": 152, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -300791,12 +229151,12 @@ } }, { - "pk": 3902, + "pk": 2926, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 164, + "sidechain_ASN": 115, "chain": "1TWFB", "sidechain_ASP": null, "a6": 117.092304049829, @@ -300813,11 +229173,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3903, + "next": 2927, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 3901, + "prev": 2925, "terminal_flag": false, "phi": 66.1745144184362, "chainID": "B", @@ -300852,11 +229212,11 @@ } }, { - "pk": 3903, + "pk": 2927, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 198, + "sidechain_PRO": 142, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -300874,11 +229234,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3904, + "next": 2928, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 3902, + "prev": 2926, "terminal_flag": false, "phi": -73.0957014109324, "chainID": "B", @@ -300913,7 +229273,7 @@ } }, { - "pk": 3904, + "pk": 2928, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -300935,11 +229295,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3905, + "next": 2929, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 3903, + "prev": 2927, "terminal_flag": false, "phi": -56.0859572062421, "chainID": "B", @@ -300974,7 +229334,7 @@ } }, { - "pk": 3905, + "pk": 2929, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -300996,11 +229356,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3906, + "next": 2930, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 3904, + "prev": 2928, "terminal_flag": false, "phi": -71.6717330632713, "chainID": "B", @@ -301018,7 +229378,7 @@ "L3": 1.53161109255453, "a7": 122.964557148689, "L1": 1.32696392862513, - "sidechain_ARG": 194, + "sidechain_ARG": 153, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -301035,7 +229395,7 @@ } }, { - "pk": 3906, + "pk": 2930, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -301057,11 +229417,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3907, + "next": 2931, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3905, + "prev": 2929, "terminal_flag": false, "phi": -64.5422903120893, "chainID": "B", @@ -301088,7 +229448,7 @@ "bs": 49.0, "a2": 109.97214415183, "a5": 121.125228749557, - "sidechain_LEU": 330, + "sidechain_LEU": 270, "chainIndex": 513, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -301096,7 +229456,7 @@ } }, { - "pk": 3907, + "pk": 2931, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -301115,14 +229475,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 102, + "sidechain_MET": 75, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3908, + "next": 2932, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3906, + "prev": 2930, "terminal_flag": false, "phi": -56.6902309065722, "chainID": "B", @@ -301157,7 +229517,7 @@ } }, { - "pk": 3908, + "pk": 2932, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -301179,11 +229539,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3909, + "next": 2933, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3907, + "prev": 2931, "terminal_flag": false, "phi": -61.7897601398324, "chainID": "B", @@ -301203,7 +229563,7 @@ "L1": 1.33689075963469, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 279, + "sidechain_GLU": 221, "omep": null, "ss": "H", "a3": 109.359327087954, @@ -301218,7 +229578,7 @@ } }, { - "pk": 3909, + "pk": 2933, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -301238,13 +229598,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 219, + "sidechain_THR": 158, "sidechain_TRP": null, - "next": 3910, + "next": 2934, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3908, + "prev": 2932, "terminal_flag": false, "phi": -57.2176876399419, "chainID": "B", @@ -301279,7 +229639,7 @@ } }, { - "pk": 3910, + "pk": 2934, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -301301,11 +229661,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3911, + "next": 2935, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3909, + "prev": 2933, "terminal_flag": false, "phi": -58.6035954406692, "chainID": "B", @@ -301332,7 +229692,7 @@ "bs": 37.0, "a2": 110.473124570976, "a5": 120.891208197672, - "sidechain_LEU": 331, + "sidechain_LEU": 271, "chainIndex": 517, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -301340,7 +229700,7 @@ } }, { - "pk": 3911, + "pk": 2935, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -301362,11 +229722,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3912, + "next": 2936, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3910, + "prev": 2934, "terminal_flag": false, "phi": -66.8748660445449, "chainID": "B", @@ -301384,7 +229744,7 @@ "L3": 1.52344717663074, "a7": 123.127833845449, "L1": 1.32682904214096, - "sidechain_ARG": 195, + "sidechain_ARG": 154, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -301401,7 +229761,7 @@ } }, { - "pk": 3912, + "pk": 2936, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -301421,13 +229781,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 220, + "sidechain_THR": 159, "sidechain_TRP": null, - "next": 3913, + "next": 2937, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3911, + "prev": 2935, "terminal_flag": false, "phi": -64.6995630597616, "chainID": "B", @@ -301462,7 +229822,7 @@ } }, { - "pk": 3913, + "pk": 2937, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -301484,11 +229844,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3914, + "next": 2938, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3912, + "prev": 2936, "terminal_flag": false, "phi": -63.0763630877004, "chainID": "B", @@ -301515,7 +229875,7 @@ "bs": 41.0, "a2": 110.785761796596, "a5": 121.571045419089, - "sidechain_LEU": 332, + "sidechain_LEU": 272, "chainIndex": 520, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -301523,7 +229883,7 @@ } }, { - "pk": 3914, + "pk": 2938, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -301545,11 +229905,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3915, + "next": 2939, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3913, + "prev": 2937, "terminal_flag": false, "phi": -80.5030729248642, "chainID": "B", @@ -301567,7 +229927,7 @@ "L3": 1.52658429319495, "a7": 121.802553486084, "L1": 1.32268727242202, - "sidechain_ARG": 196, + "sidechain_ARG": 155, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -301584,7 +229944,7 @@ } }, { - "pk": 3915, + "pk": 2939, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -301606,11 +229966,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3916, + "next": 2940, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3914, + "prev": 2938, "terminal_flag": false, "phi": -65.8256287958326, "chainID": "B", @@ -301628,7 +229988,7 @@ "L3": 1.52839647651206, "a7": 123.069918851457, "L1": 1.33375814624989, - "sidechain_ARG": 197, + "sidechain_ARG": 156, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -301645,7 +230005,7 @@ } }, { - "pk": 3916, + "pk": 2940, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -301662,16 +230022,16 @@ "protein": "1TWF", "zeta": 35.8629488802321, "sidechain_PHE": null, - "sidechain_LYS": 257, + "sidechain_LYS": 178, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3917, + "next": 2941, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3915, + "prev": 2939, "terminal_flag": false, "phi": -91.669940598065, "chainID": "B", @@ -301706,7 +230066,7 @@ } }, { - "pk": 3917, + "pk": 2941, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -301728,11 +230088,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3918, + "next": 2942, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3916, + "prev": 2940, "terminal_flag": false, "phi": 128.61943727201, "chainID": "B", @@ -301767,14 +230127,14 @@ } }, { - "pk": 3918, + "pk": 2942, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 243, + "sidechain_ASP": 190, "a6": 117.01517171481, "psi": -40.2502352952017, "oldID": "608", @@ -301789,11 +230149,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3919, + "next": 2943, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3917, + "prev": 2941, "terminal_flag": false, "phi": -60.0647808262074, "chainID": "B", @@ -301828,7 +230188,7 @@ } }, { - "pk": 3919, + "pk": 2943, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -301841,7 +230201,7 @@ "oldID": "609", "bg": 42.15, "sidechain_CYS": null, - "sidechain_ILE": 243, + "sidechain_ILE": 191, "protein": "1TWF", "zeta": 34.6173919714734, "sidechain_PHE": null, @@ -301850,11 +230210,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3920, + "next": 2944, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3918, + "prev": 2942, "terminal_flag": false, "phi": -102.438858429313, "chainID": "B", @@ -301889,12 +230249,12 @@ } }, { - "pk": 3920, + "pk": 2944, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 165, + "sidechain_ASN": 116, "chain": "1TWFB", "sidechain_ASP": null, "a6": 117.234204042998, @@ -301911,11 +230271,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3921, + "next": 2945, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3919, + "prev": 2943, "terminal_flag": false, "phi": -55.659264689323, "chainID": "B", @@ -301950,11 +230310,11 @@ } }, { - "pk": 3921, + "pk": 2945, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 199, + "sidechain_PRO": 143, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -301972,11 +230332,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3922, + "next": 2946, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3920, + "prev": 2944, "terminal_flag": false, "phi": -53.1401628977406, "chainID": "B", @@ -302011,7 +230371,7 @@ } }, { - "pk": 3922, + "pk": 2946, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -302033,11 +230393,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3923, + "next": 2947, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 3921, + "prev": 2945, "terminal_flag": false, "phi": -69.7008777423595, "chainID": "B", @@ -302057,7 +230417,7 @@ "L1": 1.32365446086877, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 280, + "sidechain_GLU": 222, "omep": null, "ss": "T", "a3": 111.125432585179, @@ -302072,7 +230432,7 @@ } }, { - "pk": 3923, + "pk": 2947, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -302090,15 +230450,15 @@ "zeta": 36.0226576135186, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 270, + "sidechain_VAL": 218, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3924, + "next": 2948, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 3922, + "prev": 2946, "terminal_flag": false, "phi": -66.0748221043132, "chainID": "B", @@ -302133,7 +230493,7 @@ } }, { - "pk": 3924, + "pk": 2948, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -302155,11 +230515,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3925, - "sidechain_SER": 203, + "next": 2949, + "sidechain_SER": 157, "bm": 38.0, "xpr": false, - "prev": 3923, + "prev": 2947, "terminal_flag": false, "phi": -107.886736053802, "chainID": "B", @@ -302194,7 +230554,7 @@ } }, { - "pk": 3925, + "pk": 2949, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -302213,14 +230573,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 103, + "sidechain_MET": 76, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3926, + "next": 2950, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3924, + "prev": 2948, "terminal_flag": false, "phi": -127.747228019595, "chainID": "B", @@ -302255,7 +230615,7 @@ } }, { - "pk": 3926, + "pk": 2950, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -302268,7 +230628,7 @@ "oldID": "616", "bg": 44.25, "sidechain_CYS": null, - "sidechain_ILE": 244, + "sidechain_ILE": 192, "protein": "1TWF", "zeta": 35.8340251656796, "sidechain_PHE": null, @@ -302277,11 +230637,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3927, + "next": 2951, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3925, + "prev": 2949, "terminal_flag": false, "phi": -120.48583995089, "chainID": "B", @@ -302316,7 +230676,7 @@ } }, { - "pk": 3927, + "pk": 2951, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -302338,11 +230698,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3928, + "next": 2952, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 3926, + "prev": 2950, "terminal_flag": false, "phi": -102.764308696092, "chainID": "B", @@ -302360,7 +230720,7 @@ "L3": 1.51919325676599, "a7": 123.014198819253, "L1": 1.32014983236531, - "sidechain_ARG": 198, + "sidechain_ARG": 157, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -302377,14 +230737,14 @@ } }, { - "pk": 3928, + "pk": 2952, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 244, + "sidechain_ASP": 191, "a6": 116.107862333901, "psi": 80.9941167294002, "oldID": "618", @@ -302399,11 +230759,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3929, + "next": 2953, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3927, + "prev": 2951, "terminal_flag": false, "phi": -99.2361984353196, "chainID": "B", @@ -302438,7 +230798,7 @@ } }, { - "pk": 3929, + "pk": 2953, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -302451,7 +230811,7 @@ "oldID": "619", "bg": 55.99, "sidechain_CYS": null, - "sidechain_ILE": 245, + "sidechain_ILE": 193, "protein": "1TWF", "zeta": 34.3782509687837, "sidechain_PHE": null, @@ -302460,11 +230820,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3930, + "next": 2954, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3928, + "prev": 2952, "terminal_flag": false, "phi": -44.1259423631604, "chainID": "B", @@ -302499,7 +230859,7 @@ } }, { - "pk": 3930, + "pk": 2954, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -302521,11 +230881,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3931, + "next": 2955, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3929, + "prev": 2953, "terminal_flag": false, "phi": -74.8411367425923, "chainID": "B", @@ -302543,7 +230903,7 @@ "L3": 1.52930976191903, "a7": 123.160723133004, "L1": 1.32437015490196, - "sidechain_ARG": 199, + "sidechain_ARG": 158, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -302560,7 +230920,7 @@ } }, { - "pk": 3931, + "pk": 2955, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -302582,11 +230942,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3932, + "next": 2956, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 3930, + "prev": 2954, "terminal_flag": false, "phi": -79.0667009008875, "chainID": "B", @@ -302606,7 +230966,7 @@ "L1": 1.32696474949825, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 281, + "sidechain_GLU": 223, "omep": null, "ss": "T", "a3": 113.486420106689, @@ -302621,7 +230981,7 @@ } }, { - "pk": 3932, + "pk": 2956, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -302638,16 +230998,16 @@ "protein": "1TWF", "zeta": 35.0034709224673, "sidechain_PHE": null, - "sidechain_LYS": 258, + "sidechain_LYS": 179, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3933, + "next": 2957, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 3931, + "prev": 2955, "terminal_flag": false, "phi": 59.1540998453446, "chainID": "B", @@ -302682,7 +231042,7 @@ } }, { - "pk": 3933, + "pk": 2957, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -302704,11 +231064,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3934, + "next": 2958, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3932, + "prev": 2956, "terminal_flag": false, "phi": -127.724515102849, "chainID": "B", @@ -302728,7 +231088,7 @@ "L1": 1.32897319017763, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 282, + "sidechain_GLU": 224, "omep": null, "ss": "E", "a3": 112.588317774237, @@ -302743,7 +231103,7 @@ } }, { - "pk": 3934, + "pk": 2958, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -302765,11 +231125,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3935, + "next": 2959, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3933, + "prev": 2957, "terminal_flag": false, "phi": -127.007886686996, "chainID": "B", @@ -302796,7 +231156,7 @@ "bs": 51.0, "a2": 110.736138603564, "a5": 120.650479245634, - "sidechain_LEU": 333, + "sidechain_LEU": 273, "chainIndex": 541, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -302804,7 +231164,7 @@ } }, { - "pk": 3935, + "pk": 2959, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -302821,16 +231181,16 @@ "protein": "1TWF", "zeta": 35.0896076398603, "sidechain_PHE": null, - "sidechain_LYS": 259, + "sidechain_LYS": 180, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3936, + "next": 2960, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3934, + "prev": 2958, "terminal_flag": false, "phi": -115.091562150627, "chainID": "B", @@ -302865,7 +231225,7 @@ } }, { - "pk": 3936, + "pk": 2960, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -302878,7 +231238,7 @@ "oldID": "626", "bg": 39.9, "sidechain_CYS": null, - "sidechain_ILE": 246, + "sidechain_ILE": 194, "protein": "1TWF", "zeta": 34.9450176325241, "sidechain_PHE": null, @@ -302887,11 +231247,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3937, + "next": 2961, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3935, + "prev": 2959, "terminal_flag": false, "phi": -128.823420086273, "chainID": "B", @@ -302926,7 +231286,7 @@ } }, { - "pk": 3937, + "pk": 2961, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -302942,17 +231302,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.2225900200208, - "sidechain_PHE": 147, + "sidechain_PHE": 114, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3938, + "next": 2962, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3936, + "prev": 2960, "terminal_flag": false, "phi": -131.434814516372, "chainID": "B", @@ -302987,7 +231347,7 @@ } }, { - "pk": 3938, + "pk": 2962, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -303007,13 +231367,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 221, + "sidechain_THR": 160, "sidechain_TRP": null, - "next": 3939, + "next": 2963, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 3937, + "prev": 2961, "terminal_flag": false, "phi": -117.129052228174, "chainID": "B", @@ -303048,14 +231408,14 @@ } }, { - "pk": 3939, + "pk": 2963, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 245, + "sidechain_ASP": 192, "a6": 115.602625779714, "psi": 168.144069284074, "oldID": "629", @@ -303070,11 +231430,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3940, + "next": 2964, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 3938, + "prev": 2962, "terminal_flag": false, "phi": -69.9142944424867, "chainID": "B", @@ -303109,7 +231469,7 @@ } }, { - "pk": 3940, + "pk": 2964, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -303131,11 +231491,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3941, + "next": 2965, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3939, + "prev": 2963, "terminal_flag": false, "phi": -97.6669854817932, "chainID": "B", @@ -303170,7 +231530,7 @@ } }, { - "pk": 3941, + "pk": 2965, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -303192,11 +231552,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3942, + "next": 2966, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3940, + "prev": 2964, "terminal_flag": false, "phi": 100.213809785779, "chainID": "B", @@ -303231,7 +231591,7 @@ } }, { - "pk": 3942, + "pk": 2966, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -303253,11 +231613,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3943, + "next": 2967, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 3941, + "prev": 2965, "terminal_flag": false, "phi": -85.8094406653394, "chainID": "B", @@ -303275,7 +231635,7 @@ "L3": 1.55666439600603, "a7": 123.114306227553, "L1": 1.33634428658088, - "sidechain_ARG": 200, + "sidechain_ARG": 159, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -303292,7 +231652,7 @@ } }, { - "pk": 3943, + "pk": 2967, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -303310,15 +231670,15 @@ "zeta": 33.6928302443919, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 271, + "sidechain_VAL": 219, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3944, + "next": 2968, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 3942, + "prev": 2966, "terminal_flag": false, "phi": -90.7299156953769, "chainID": "B", @@ -303353,7 +231713,7 @@ } }, { - "pk": 3944, + "pk": 2968, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -303375,11 +231735,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3945, + "next": 2969, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3943, + "prev": 2967, "terminal_flag": false, "phi": -131.491998129882, "chainID": "B", @@ -303398,7 +231758,7 @@ "a7": 123.810703655894, "L1": 1.32645105223303, "sidechain_ARG": null, - "sidechain_TYR": 120, + "sidechain_TYR": 77, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -303414,7 +231774,7 @@ } }, { - "pk": 3945, + "pk": 2969, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -303436,11 +231796,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3946, + "next": 2970, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3944, + "prev": 2968, "terminal_flag": false, "phi": -138.620573212357, "chainID": "B", @@ -303458,7 +231818,7 @@ "L3": 1.5289740664257, "a7": 122.243680653183, "L1": 1.32911435637725, - "sidechain_ARG": 201, + "sidechain_ARG": 160, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -303475,11 +231835,11 @@ } }, { - "pk": 3946, + "pk": 2970, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 200, + "sidechain_PRO": 144, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -303497,11 +231857,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3947, + "next": 2971, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3945, + "prev": 2969, "terminal_flag": false, "phi": -97.4246258986382, "chainID": "B", @@ -303536,7 +231896,7 @@ } }, { - "pk": 3947, + "pk": 2971, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -303558,11 +231918,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3948, + "next": 2972, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3946, + "prev": 2970, "terminal_flag": false, "phi": -122.923205953495, "chainID": "B", @@ -303589,7 +231949,7 @@ "bs": 25.0, "a2": 109.494052592514, "a5": 120.539362818728, - "sidechain_LEU": 334, + "sidechain_LEU": 274, "chainIndex": 554, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -303597,7 +231957,7 @@ } }, { - "pk": 3948, + "pk": 2972, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -303613,17 +231973,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 36.6587160896413, - "sidechain_PHE": 148, + "sidechain_PHE": 115, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3949, + "next": 2973, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3947, + "prev": 2971, "terminal_flag": false, "phi": -88.393951235757, "chainID": "B", @@ -303658,7 +232018,7 @@ } }, { - "pk": 3949, + "pk": 2973, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -303671,7 +232031,7 @@ "oldID": "639", "bg": 40.75, "sidechain_CYS": null, - "sidechain_ILE": 247, + "sidechain_ILE": 195, "protein": "1TWF", "zeta": 34.1530566467121, "sidechain_PHE": null, @@ -303680,11 +232040,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3950, + "next": 2974, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 3948, + "prev": 2972, "terminal_flag": false, "phi": -70.0704390822274, "chainID": "B", @@ -303719,7 +232079,7 @@ } }, { - "pk": 3950, + "pk": 2974, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -303737,15 +232097,15 @@ "zeta": 35.6536683664835, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 272, + "sidechain_VAL": 220, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3951, + "next": 2975, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 3949, + "prev": 2973, "terminal_flag": false, "phi": -128.148289136959, "chainID": "B", @@ -303780,7 +232140,7 @@ } }, { - "pk": 3951, + "pk": 2975, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -303802,11 +232162,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3952, + "next": 2976, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 3950, + "prev": 2974, "terminal_flag": false, "phi": -128.033953215322, "chainID": "B", @@ -303826,7 +232186,7 @@ "L1": 1.32402751364059, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 283, + "sidechain_GLU": 225, "omep": null, "ss": "E", "a3": 108.232137915635, @@ -303841,14 +232201,14 @@ } }, { - "pk": 3952, + "pk": 2976, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 246, + "sidechain_ASP": 193, "a6": 116.490286847234, "psi": 29.7521387637089, "oldID": "642", @@ -303863,11 +232223,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3953, + "next": 2977, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 3951, + "prev": 2975, "terminal_flag": false, "phi": -122.825298459507, "chainID": "B", @@ -303902,14 +232262,14 @@ } }, { - "pk": 3953, + "pk": 2977, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 247, + "sidechain_ASP": 194, "a6": 115.992534076483, "psi": -20.1088345223102, "oldID": "643", @@ -303924,11 +232284,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3954, + "next": 2978, "sidechain_SER": null, "bm": 117.0, "xpr": false, - "prev": 3952, + "prev": 2976, "terminal_flag": false, "phi": -59.2516080336029, "chainID": "B", @@ -303963,7 +232323,7 @@ } }, { - "pk": 3954, + "pk": 2978, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -303985,11 +232345,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3955, + "next": 2979, "sidechain_SER": null, "bm": 122.0, "xpr": false, - "prev": 3953, + "prev": 2977, "terminal_flag": false, "phi": -85.050099903549, "chainID": "B", @@ -304009,7 +232369,7 @@ "L1": 1.32991351171987, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 284, + "sidechain_GLU": 226, "omep": null, "ss": "-", "a3": 108.810532293246, @@ -304024,7 +232384,7 @@ } }, { - "pk": 3955, + "pk": 2979, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -304046,11 +232406,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3956, - "sidechain_SER": 204, + "next": 2980, + "sidechain_SER": 158, "bm": 121.0, "xpr": false, - "prev": 3954, + "prev": 2978, "terminal_flag": false, "phi": -77.8708344629093, "chainID": "B", @@ -304085,7 +232445,7 @@ } }, { - "pk": 3956, + "pk": 2980, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -304107,11 +232467,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3957, + "next": 2981, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 3955, + "prev": 2979, "terminal_flag": false, "phi": -38.2235040620808, "chainID": "B", @@ -304138,7 +232498,7 @@ "bs": 121.0, "a2": 109.337630296456, "a5": 119.738282147202, - "sidechain_LEU": 335, + "sidechain_LEU": 275, "chainIndex": 563, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -304146,7 +232506,7 @@ } }, { - "pk": 3957, + "pk": 2981, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -304168,11 +232528,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3958, + "next": 2982, "sidechain_SER": null, "bm": 112.0, "xpr": false, - "prev": 3956, + "prev": 2980, "terminal_flag": false, "phi": -174.468639225822, "chainID": "B", @@ -304207,7 +232567,7 @@ } }, { - "pk": 3958, + "pk": 2982, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -304229,11 +232589,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3959, + "next": 2983, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 3957, + "prev": 2981, "terminal_flag": false, "phi": -91.5866758028566, "chainID": "B", @@ -304262,13 +232622,13 @@ "a5": 120.789164461304, "sidechain_LEU": null, "chainIndex": 565, - "sidechain_HIS": 104, + "sidechain_HIS": 82, "h_bond_energy": 0.0, "a4": 109.794880830684 } }, { - "pk": 3959, + "pk": 2983, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -304285,16 +232645,16 @@ "protein": "1TWF", "zeta": 34.3778851840882, "sidechain_PHE": null, - "sidechain_LYS": 260, + "sidechain_LYS": 181, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3960, + "next": 2984, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 3958, + "prev": 2982, "terminal_flag": false, "phi": -88.711860319424, "chainID": "B", @@ -304329,7 +232689,7 @@ } }, { - "pk": 3960, + "pk": 2984, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -304351,11 +232711,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3961, + "next": 2985, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 3959, + "prev": 2983, "terminal_flag": false, "phi": -140.098119237801, "chainID": "B", @@ -304375,7 +232735,7 @@ "L1": 1.32123566058247, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 285, + "sidechain_GLU": 227, "omep": null, "ss": "E", "a3": 110.402753468629, @@ -304390,7 +232750,7 @@ } }, { - "pk": 3961, + "pk": 2985, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -304412,11 +232772,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3962, + "next": 2986, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 3960, + "prev": 2984, "terminal_flag": false, "phi": -74.7486062610045, "chainID": "B", @@ -304443,7 +232803,7 @@ "bs": 52.0, "a2": 110.488144527248, "a5": 120.236273152588, - "sidechain_LEU": 336, + "sidechain_LEU": 276, "chainIndex": 568, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -304451,7 +232811,7 @@ } }, { - "pk": 3962, + "pk": 2986, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -304468,16 +232828,16 @@ "protein": "1TWF", "zeta": 34.9066870885679, "sidechain_PHE": null, - "sidechain_LYS": 261, + "sidechain_LYS": 182, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3963, + "next": 2987, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 3961, + "prev": 2985, "terminal_flag": false, "phi": -60.7226336688135, "chainID": "B", @@ -304512,7 +232872,7 @@ } }, { - "pk": 3963, + "pk": 2987, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -304530,15 +232890,15 @@ "zeta": 34.6801375363529, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 273, + "sidechain_VAL": 221, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3964, + "next": 2988, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3962, + "prev": 2986, "terminal_flag": false, "phi": -67.989382691607, "chainID": "B", @@ -304573,7 +232933,7 @@ } }, { - "pk": 3964, + "pk": 2988, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -304595,11 +232955,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3965, + "next": 2989, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3963, + "prev": 2987, "terminal_flag": false, "phi": -145.888779933757, "chainID": "B", @@ -304617,7 +232977,7 @@ "L3": 1.52785006749458, "a7": 122.922661029283, "L1": 1.32953326336241, - "sidechain_ARG": 202, + "sidechain_ARG": 161, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -304634,7 +232994,7 @@ } }, { - "pk": 3965, + "pk": 2989, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -304651,16 +233011,16 @@ "protein": "1TWF", "zeta": 34.7759118121619, "sidechain_PHE": null, - "sidechain_LYS": 262, + "sidechain_LYS": 183, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3966, + "next": 2990, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 3964, + "prev": 2988, "terminal_flag": false, "phi": -58.9973563462849, "chainID": "B", @@ -304695,7 +233055,7 @@ } }, { - "pk": 3966, + "pk": 2990, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -304717,11 +233077,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3967, + "next": 2991, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 3965, + "prev": 2989, "terminal_flag": false, "phi": -65.483844705418, "chainID": "B", @@ -304756,7 +233116,7 @@ } }, { - "pk": 3967, + "pk": 2991, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -304778,11 +233138,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3968, + "next": 2992, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3966, + "prev": 2990, "terminal_flag": false, "phi": -60.0556081090875, "chainID": "B", @@ -304811,13 +233171,13 @@ "a5": 121.614129681033, "sidechain_LEU": null, "chainIndex": 574, - "sidechain_HIS": 105, + "sidechain_HIS": 83, "h_bond_energy": 0.0, "a4": 108.893154797326 } }, { - "pk": 3968, + "pk": 2992, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -304830,7 +233190,7 @@ "oldID": "658", "bg": 49.2, "sidechain_CYS": null, - "sidechain_ILE": 248, + "sidechain_ILE": 196, "protein": "1TWF", "zeta": 34.6844921998896, "sidechain_PHE": null, @@ -304839,11 +233199,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3969, + "next": 2993, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3967, + "prev": 2991, "terminal_flag": false, "phi": -67.7263066666267, "chainID": "B", @@ -304878,7 +233238,7 @@ } }, { - "pk": 3969, + "pk": 2993, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -304900,11 +233260,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3970, + "next": 2994, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 3968, + "prev": 2992, "terminal_flag": false, "phi": -60.8806632444763, "chainID": "B", @@ -304939,7 +233299,7 @@ } }, { - "pk": 3970, + "pk": 2994, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -304956,16 +233316,16 @@ "protein": "1TWF", "zeta": 34.6344597215688, "sidechain_PHE": null, - "sidechain_LYS": 263, + "sidechain_LYS": 184, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3971, + "next": 2995, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 3969, + "prev": 2993, "terminal_flag": false, "phi": -61.8796698227253, "chainID": "B", @@ -305000,7 +233360,7 @@ } }, { - "pk": 3971, + "pk": 2995, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -305022,11 +233382,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3972, + "next": 2996, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 3970, + "prev": 2994, "terminal_flag": false, "phi": -50.8180519185107, "chainID": "B", @@ -305053,7 +233413,7 @@ "bs": 51.0, "a2": 110.491467546087, "a5": 121.201783475975, - "sidechain_LEU": 337, + "sidechain_LEU": 277, "chainIndex": 578, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -305061,7 +233421,7 @@ } }, { - "pk": 3972, + "pk": 2996, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -305080,14 +233440,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 104, + "sidechain_MET": 77, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3973, + "next": 2997, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 3971, + "prev": 2995, "terminal_flag": false, "phi": -71.085188990118, "chainID": "B", @@ -305122,7 +233482,7 @@ } }, { - "pk": 3973, + "pk": 2997, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -305144,11 +233504,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3974, + "next": 2998, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 3972, + "prev": 2996, "terminal_flag": false, "phi": -57.6030292365221, "chainID": "B", @@ -305183,7 +233543,7 @@ } }, { - "pk": 3974, + "pk": 2998, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -305203,13 +233563,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 222, + "sidechain_THR": 161, "sidechain_TRP": null, - "next": 3975, + "next": 2999, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 3973, + "prev": 2997, "terminal_flag": false, "phi": -85.3606838277857, "chainID": "B", @@ -305244,7 +233604,7 @@ } }, { - "pk": 3975, + "pk": 2999, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -305266,11 +233626,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3976, + "next": 3000, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 3974, + "prev": 2998, "terminal_flag": false, "phi": -69.7968342956785, "chainID": "B", @@ -305290,7 +233650,7 @@ "L1": 1.32839255491923, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 286, + "sidechain_GLU": 228, "omep": null, "ss": "H", "a3": 109.155754720931, @@ -305305,7 +233665,7 @@ } }, { - "pk": 3976, + "pk": 3000, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -305327,11 +233687,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3977, + "next": 3001, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 3975, + "prev": 2999, "terminal_flag": false, "phi": -79.1155965597835, "chainID": "B", @@ -305350,7 +233710,7 @@ "a7": 122.869721278631, "L1": 1.32831988943695, "sidechain_ARG": null, - "sidechain_TYR": 121, + "sidechain_TYR": 78, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -305366,7 +233726,7 @@ } }, { - "pk": 3977, + "pk": 3001, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -305388,15 +233748,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3978, + "next": 3002, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 3976, + "prev": 3000, "terminal_flag": false, "phi": -72.1593707047956, "chainID": "B", - "sidechain_GLN": 153, + "sidechain_GLN": 126, "ome": 179.790003585, "chi2": 174.007410369063, "chi3": 63.8905710798166, @@ -305427,14 +233787,14 @@ } }, { - "pk": 3978, + "pk": 3002, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 248, + "sidechain_ASP": 195, "a6": null, "psi": null, "oldID": "668", @@ -305453,7 +233813,7 @@ "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 3977, + "prev": 3001, "terminal_flag": false, "phi": -137.907667647526, "chainID": "B", @@ -305488,7 +233848,7 @@ } }, { - "pk": 3979, + "pk": 3003, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -305510,7 +233870,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3980, + "next": 3004, "sidechain_SER": null, "bm": 59.0, "xpr": false, @@ -305534,7 +233894,7 @@ "L1": null, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 287, + "sidechain_GLU": 229, "omep": null, "ss": "-", "a3": 111.670876902325, @@ -305549,7 +233909,7 @@ } }, { - "pk": 3980, + "pk": 3004, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -305571,11 +233931,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3981, + "next": 3005, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 3979, + "prev": 3003, "terminal_flag": false, "phi": -108.877860801166, "chainID": "B", @@ -305594,7 +233954,7 @@ "a7": 122.806405828605, "L1": 1.32713544697697, "sidechain_ARG": null, - "sidechain_TYR": 122, + "sidechain_TYR": 79, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -305610,7 +233970,7 @@ } }, { - "pk": 3981, + "pk": 3005, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -305630,13 +233990,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 223, + "sidechain_THR": 162, "sidechain_TRP": null, - "next": 3982, + "next": 3006, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 3980, + "prev": 3004, "terminal_flag": false, "phi": -125.063594577306, "chainID": "B", @@ -305671,7 +234031,7 @@ } }, { - "pk": 3982, + "pk": 3006, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -305692,12 +234052,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 60, - "next": 3983, + "sidechain_TRP": 28, + "next": 3007, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3981, + "prev": 3005, "terminal_flag": false, "phi": -60.9860029513311, "chainID": "B", @@ -305732,7 +234092,7 @@ } }, { - "pk": 3983, + "pk": 3007, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -305754,11 +234114,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3984, - "sidechain_SER": 205, + "next": 3008, + "sidechain_SER": 159, "bm": 40.0, "xpr": false, - "prev": 3982, + "prev": 3006, "terminal_flag": false, "phi": -58.6701061139085, "chainID": "B", @@ -305793,7 +234153,7 @@ } }, { - "pk": 3984, + "pk": 3008, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -305815,11 +234175,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3985, - "sidechain_SER": 206, + "next": 3009, + "sidechain_SER": 160, "bm": 39.0, "xpr": false, - "prev": 3983, + "prev": 3007, "terminal_flag": false, "phi": -58.8593419457377, "chainID": "B", @@ -305854,7 +234214,7 @@ } }, { - "pk": 3985, + "pk": 3009, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -305876,11 +234236,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3986, + "next": 3010, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 3984, + "prev": 3008, "terminal_flag": false, "phi": -52.1358175297201, "chainID": "B", @@ -305907,7 +234267,7 @@ "bs": 36.0, "a2": 109.477555878714, "a5": 121.134709430048, - "sidechain_LEU": 338, + "sidechain_LEU": 278, "chainIndex": 592, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -305915,7 +234275,7 @@ } }, { - "pk": 3986, + "pk": 3010, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -305937,11 +234297,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3987, + "next": 3011, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 3985, + "prev": 3009, "terminal_flag": false, "phi": -62.3440144090346, "chainID": "B", @@ -305968,7 +234328,7 @@ "bs": 40.0, "a2": 109.70060531803, "a5": 120.609813526133, - "sidechain_LEU": 339, + "sidechain_LEU": 279, "chainIndex": 593, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -305976,12 +234336,12 @@ } }, { - "pk": 3987, + "pk": 3011, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 166, + "sidechain_ASN": 117, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.014705506517, @@ -305998,11 +234358,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3988, + "next": 3012, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 3986, + "prev": 3010, "terminal_flag": false, "phi": -55.3298218416535, "chainID": "B", @@ -306037,7 +234397,7 @@ } }, { - "pk": 3988, + "pk": 3012, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -306059,11 +234419,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3989, + "next": 3013, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 3987, + "prev": 3011, "terminal_flag": false, "phi": -89.8194380624384, "chainID": "B", @@ -306083,7 +234443,7 @@ "L1": 1.32458475036182, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 288, + "sidechain_GLU": 230, "omep": null, "ss": "T", "a3": 112.300797058086, @@ -306098,7 +234458,7 @@ } }, { - "pk": 3989, + "pk": 3013, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -306120,11 +234480,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3990, + "next": 3014, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 3988, + "prev": 3012, "terminal_flag": false, "phi": 54.2250228018889, "chainID": "B", @@ -306159,7 +234519,7 @@ } }, { - "pk": 3990, + "pk": 3014, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -306181,11 +234541,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3991, + "next": 3015, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3989, + "prev": 3013, "terminal_flag": false, "phi": -100.247639952618, "chainID": "B", @@ -306212,7 +234572,7 @@ "bs": 38.0, "a2": 110.370852758952, "a5": 121.368393018247, - "sidechain_LEU": 340, + "sidechain_LEU": 280, "chainIndex": 597, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -306220,7 +234580,7 @@ } }, { - "pk": 3991, + "pk": 3015, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -306238,15 +234598,15 @@ "zeta": 35.1697067317489, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 274, + "sidechain_VAL": 222, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3992, + "next": 3016, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 3990, + "prev": 3014, "terminal_flag": false, "phi": -137.310498917781, "chainID": "B", @@ -306281,7 +234641,7 @@ } }, { - "pk": 3992, + "pk": 3016, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -306303,11 +234663,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3993, + "next": 3017, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 3991, + "prev": 3015, "terminal_flag": false, "phi": -130.34861086251, "chainID": "B", @@ -306327,7 +234687,7 @@ "L1": 1.32628893189692, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 289, + "sidechain_GLU": 231, "omep": null, "ss": "E", "a3": 110.337968598773, @@ -306342,7 +234702,7 @@ } }, { - "pk": 3993, + "pk": 3017, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -306364,11 +234724,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3994, + "next": 3018, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 3992, + "prev": 3016, "terminal_flag": false, "phi": -102.161471702164, "chainID": "B", @@ -306387,7 +234747,7 @@ "a7": 122.446349851069, "L1": 1.32089353928888, "sidechain_ARG": null, - "sidechain_TYR": 123, + "sidechain_TYR": 80, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -306403,7 +234763,7 @@ } }, { - "pk": 3994, + "pk": 3018, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -306416,7 +234776,7 @@ "oldID": "693", "bg": 29.7, "sidechain_CYS": null, - "sidechain_ILE": 249, + "sidechain_ILE": 197, "protein": "1TWF", "zeta": 32.7251425310347, "sidechain_PHE": null, @@ -306425,11 +234785,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3995, + "next": 3019, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3993, + "prev": 3017, "terminal_flag": false, "phi": -136.615821976167, "chainID": "B", @@ -306464,14 +234824,14 @@ } }, { - "pk": 3995, + "pk": 3019, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 249, + "sidechain_ASP": 196, "a6": 117.456404690897, "psi": 171.786772676217, "oldID": "694", @@ -306486,11 +234846,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3996, + "next": 3020, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 3994, + "prev": 3018, "terminal_flag": false, "phi": -91.6450271742932, "chainID": "B", @@ -306525,7 +234885,7 @@ } }, { - "pk": 3996, + "pk": 3020, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -306547,11 +234907,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3997, + "next": 3021, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3995, + "prev": 3019, "terminal_flag": false, "phi": -58.054660633785, "chainID": "B", @@ -306586,7 +234946,7 @@ } }, { - "pk": 3997, + "pk": 3021, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -306608,11 +234968,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3998, + "next": 3022, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 3996, + "prev": 3020, "terminal_flag": false, "phi": -60.5567835067844, "chainID": "B", @@ -306632,7 +234992,7 @@ "L1": 1.33014517183198, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 290, + "sidechain_GLU": 232, "omep": null, "ss": "H", "a3": 113.759868099441, @@ -306647,7 +235007,7 @@ } }, { - "pk": 3998, + "pk": 3022, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -306669,11 +235029,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 3999, + "next": 3023, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 3997, + "prev": 3021, "terminal_flag": false, "phi": -67.5404983074698, "chainID": "B", @@ -306693,7 +235053,7 @@ "L1": 1.33087807817303, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 291, + "sidechain_GLU": 233, "omep": null, "ss": "H", "a3": 108.546644022355, @@ -306708,7 +235068,7 @@ } }, { - "pk": 3999, + "pk": 3023, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -306730,11 +235090,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4000, + "next": 3024, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 3998, + "prev": 3022, "terminal_flag": false, "phi": -55.4853276641453, "chainID": "B", @@ -306754,7 +235114,7 @@ "L1": 1.32792442557352, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 292, + "sidechain_GLU": 234, "omep": null, "ss": "H", "a3": 109.521329160057, @@ -306769,7 +235129,7 @@ } }, { - "pk": 4000, + "pk": 3024, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -306791,11 +235151,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4001, + "next": 3025, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 3999, + "prev": 3023, "terminal_flag": false, "phi": -57.7592896586031, "chainID": "B", @@ -306815,7 +235175,7 @@ "L1": 1.32871272923058, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 293, + "sidechain_GLU": 235, "omep": null, "ss": "T", "a3": 114.677374292285, @@ -306830,7 +235190,7 @@ } }, { - "pk": 4001, + "pk": 3025, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -306852,11 +235212,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4002, - "sidechain_SER": 207, + "next": 3026, + "sidechain_SER": 161, "bm": 29.0, "xpr": false, - "prev": 4000, + "prev": 3024, "terminal_flag": false, "phi": -88.7366356433059, "chainID": "B", @@ -306891,7 +235251,7 @@ } }, { - "pk": 4002, + "pk": 3026, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -306904,7 +235264,7 @@ "oldID": "701", "bg": 17.64, "sidechain_CYS": null, - "sidechain_ILE": 250, + "sidechain_ILE": 198, "protein": "1TWF", "zeta": 35.5493449418517, "sidechain_PHE": null, @@ -306913,11 +235273,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4003, + "next": 3027, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4001, + "prev": 3025, "terminal_flag": false, "phi": -117.116948965791, "chainID": "B", @@ -306952,7 +235312,7 @@ } }, { - "pk": 4003, + "pk": 3027, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -306974,11 +235334,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4004, + "next": 3028, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4002, + "prev": 3026, "terminal_flag": false, "phi": -134.246751146999, "chainID": "B", @@ -307005,7 +235365,7 @@ "bs": 30.0, "a2": 109.785367801094, "a5": 121.140492561761, - "sidechain_LEU": 341, + "sidechain_LEU": 281, "chainIndex": 610, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -307013,7 +235373,7 @@ } }, { - "pk": 4004, + "pk": 3028, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -307026,7 +235386,7 @@ "oldID": "703", "bg": 35.47, "sidechain_CYS": null, - "sidechain_ILE": 251, + "sidechain_ILE": 199, "protein": "1TWF", "zeta": 34.2401542064167, "sidechain_PHE": null, @@ -307035,11 +235395,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4005, + "next": 3029, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4003, + "prev": 3027, "terminal_flag": false, "phi": -101.928274471998, "chainID": "B", @@ -307074,7 +235434,7 @@ } }, { - "pk": 4005, + "pk": 3029, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -307096,11 +235456,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4006, + "next": 3030, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4004, + "prev": 3028, "terminal_flag": false, "phi": -84.4075933294471, "chainID": "B", @@ -307135,7 +235495,7 @@ } }, { - "pk": 4006, + "pk": 3030, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -307154,14 +235514,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 105, + "sidechain_MET": 78, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4007, + "next": 3031, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 4005, + "prev": 3029, "terminal_flag": false, "phi": -68.4721210324907, "chainID": "B", @@ -307196,7 +235556,7 @@ } }, { - "pk": 4007, + "pk": 3031, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -307218,15 +235578,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4008, + "next": 3032, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 4006, + "prev": 3030, "terminal_flag": false, "phi": -104.351553985911, "chainID": "B", - "sidechain_GLN": 154, + "sidechain_GLN": 127, "ome": -179.95791946283, "chi2": 100.222849236411, "chi3": 66.5728415766862, @@ -307257,11 +235617,11 @@ } }, { - "pk": 4008, + "pk": 3032, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 201, + "sidechain_PRO": 145, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -307279,11 +235639,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4009, + "next": 3033, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4007, + "prev": 3031, "terminal_flag": false, "phi": -61.7371783461429, "chainID": "B", @@ -307318,7 +235678,7 @@ } }, { - "pk": 4009, + "pk": 3033, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -307340,11 +235700,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4010, + "next": 3034, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 4008, + "prev": 3032, "terminal_flag": false, "phi": -80.7368361443588, "chainID": "B", @@ -307364,7 +235724,7 @@ "L1": 1.32561196356852, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 294, + "sidechain_GLU": 236, "omep": null, "ss": "G", "a3": 113.140427928166, @@ -307379,14 +235739,14 @@ } }, { - "pk": 4010, + "pk": 3034, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 250, + "sidechain_ASP": 197, "a6": 115.561818063578, "psi": 10.7001662690613, "oldID": "709", @@ -307401,11 +235761,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4011, + "next": 3035, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 4009, + "prev": 3033, "terminal_flag": false, "phi": -80.6009408452061, "chainID": "B", @@ -307440,7 +235800,7 @@ } }, { - "pk": 4011, + "pk": 3035, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -307462,11 +235822,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4012, + "next": 3036, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 4010, + "prev": 3034, "terminal_flag": false, "phi": -96.3347889574974, "chainID": "B", @@ -307493,7 +235853,7 @@ "bs": 82.0, "a2": 109.561004824594, "a5": 120.457409488266, - "sidechain_LEU": 342, + "sidechain_LEU": 282, "chainIndex": 618, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -307501,7 +235861,7 @@ } }, { - "pk": 4012, + "pk": 3036, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -307523,11 +235883,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4013, + "next": 3037, "sidechain_SER": null, "bm": 91.0, "xpr": false, - "prev": 4011, + "prev": 3035, "terminal_flag": false, "phi": -53.1052102138423, "chainID": "B", @@ -307547,7 +235907,7 @@ "L1": 1.33345227951861, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 295, + "sidechain_GLU": 237, "omep": null, "ss": "-", "a3": 111.463415425669, @@ -307562,11 +235922,11 @@ } }, { - "pk": 4013, + "pk": 3037, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 202, + "sidechain_PRO": 146, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -307588,7 +235948,7 @@ "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 4012, + "prev": 3036, "terminal_flag": false, "phi": -73.5561254315769, "chainID": "B", @@ -307623,14 +235983,14 @@ } }, { - "pk": 4014, + "pk": 3038, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 251, + "sidechain_ASP": 198, "a6": 116.126832748954, "psi": 50.7394116055942, "oldID": "722", @@ -307645,7 +236005,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4015, + "next": 3039, "sidechain_SER": null, "bm": 117.0, "xpr": false, @@ -307684,7 +236044,7 @@ } }, { - "pk": 4015, + "pk": 3039, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -307702,15 +236062,15 @@ "zeta": 34.4832521418128, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 275, + "sidechain_VAL": 223, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4016, + "next": 3040, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 4014, + "prev": 3038, "terminal_flag": false, "phi": -97.6493377601707, "chainID": "B", @@ -307745,14 +236105,14 @@ } }, { - "pk": 4016, + "pk": 3040, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 252, + "sidechain_ASP": 199, "a6": 117.142778937616, "psi": 120.355883672457, "oldID": "724", @@ -307767,11 +236127,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4017, + "next": 3041, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 4015, + "prev": 3039, "terminal_flag": false, "phi": -55.3121236047473, "chainID": "B", @@ -307806,11 +236166,11 @@ } }, { - "pk": 4017, + "pk": 3041, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 203, + "sidechain_PRO": 147, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -307828,11 +236188,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4018, + "next": 3042, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4016, + "prev": 3040, "terminal_flag": false, "phi": -67.1788253791417, "chainID": "B", @@ -307867,7 +236227,7 @@ } }, { - "pk": 4018, + "pk": 3042, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -307889,11 +236249,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4019, + "next": 3043, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 4017, + "prev": 3041, "terminal_flag": false, "phi": -110.374983810857, "chainID": "B", @@ -307928,7 +236288,7 @@ } }, { - "pk": 4019, + "pk": 3043, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -307945,16 +236305,16 @@ "protein": "1TWF", "zeta": 35.1306025265855, "sidechain_PHE": null, - "sidechain_LYS": 264, + "sidechain_LYS": 185, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4020, + "next": 3044, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4018, + "prev": 3042, "terminal_flag": false, "phi": -65.5983117600233, "chainID": "B", @@ -307989,7 +236349,7 @@ } }, { - "pk": 4020, + "pk": 3044, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -308011,11 +236371,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4021, + "next": 3045, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 4019, + "prev": 3043, "terminal_flag": false, "phi": -78.3264595725636, "chainID": "B", @@ -308033,7 +236393,7 @@ "L3": 1.5258975578551, "a7": 122.469688619007, "L1": 1.32848876093953, - "sidechain_ARG": 203, + "sidechain_ARG": 162, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -308050,7 +236410,7 @@ } }, { - "pk": 4021, + "pk": 3045, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -308063,7 +236423,7 @@ "oldID": "729", "bg": 92.32, "sidechain_CYS": null, - "sidechain_ILE": 252, + "sidechain_ILE": 200, "protein": "1TWF", "zeta": 34.7071976535968, "sidechain_PHE": null, @@ -308072,11 +236432,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4022, + "next": 3046, "sidechain_SER": null, "bm": 91.0, "xpr": false, - "prev": 4020, + "prev": 3044, "terminal_flag": false, "phi": -72.9851383974295, "chainID": "B", @@ -308111,7 +236471,7 @@ } }, { - "pk": 4022, + "pk": 3046, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -308133,11 +236493,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4023, + "next": 3047, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4021, + "prev": 3045, "terminal_flag": false, "phi": -135.462340234372, "chainID": "B", @@ -308155,7 +236515,7 @@ "L3": 1.53008153932585, "a7": 122.938857695372, "L1": 1.33133865487088, - "sidechain_ARG": 204, + "sidechain_ARG": 163, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -308172,7 +236532,7 @@ } }, { - "pk": 4023, + "pk": 3047, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -308190,15 +236550,15 @@ "zeta": 34.8944539719102, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 276, + "sidechain_VAL": 224, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4024, + "next": 3048, "sidechain_SER": null, "bm": 108.0, "xpr": false, - "prev": 4022, + "prev": 3046, "terminal_flag": false, "phi": -88.1132155097288, "chainID": "B", @@ -308233,7 +236593,7 @@ } }, { - "pk": 4024, + "pk": 3048, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -308255,11 +236615,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4025, - "sidechain_SER": 208, + "next": 3049, + "sidechain_SER": 162, "bm": 117.0, "xpr": false, - "prev": 4023, + "prev": 3047, "terminal_flag": false, "phi": -61.0190319165422, "chainID": "B", @@ -308294,7 +236654,7 @@ } }, { - "pk": 4025, + "pk": 3049, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -308316,11 +236676,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4026, + "next": 3050, "sidechain_SER": null, "bm": 122.0, "xpr": false, - "prev": 4024, + "prev": 3048, "terminal_flag": false, "phi": -66.5300839282367, "chainID": "B", @@ -308349,13 +236709,13 @@ "a5": 120.789167238898, "sidechain_LEU": null, "chainIndex": 632, - "sidechain_HIS": 106, + "sidechain_HIS": 84, "h_bond_energy": 0.0, "a4": 109.446598603336 } }, { - "pk": 4026, + "pk": 3050, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -308377,11 +236737,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4027, + "next": 3051, "sidechain_SER": null, "bm": 117.0, "xpr": false, - "prev": 4025, + "prev": 3049, "terminal_flag": false, "phi": -111.664259137143, "chainID": "B", @@ -308410,13 +236770,13 @@ "a5": 120.710552945913, "sidechain_LEU": null, "chainIndex": 633, - "sidechain_HIS": 107, + "sidechain_HIS": 85, "h_bond_energy": 0.0, "a4": 109.57030150075 } }, { - "pk": 4027, + "pk": 3051, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -308438,11 +236798,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4028, + "next": 3052, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 4026, + "prev": 3050, "terminal_flag": false, "phi": -155.070052866058, "chainID": "B", @@ -308477,7 +236837,7 @@ } }, { - "pk": 4028, + "pk": 3052, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -308497,13 +236857,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 224, + "sidechain_THR": 163, "sidechain_TRP": null, - "next": 4029, + "next": 3053, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 4027, + "prev": 3051, "terminal_flag": false, "phi": -126.75676738971, "chainID": "B", @@ -308538,7 +236898,7 @@ } }, { - "pk": 4029, + "pk": 3053, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -308558,13 +236918,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 225, + "sidechain_THR": 164, "sidechain_TRP": null, - "next": 4030, + "next": 3054, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4028, + "prev": 3052, "terminal_flag": false, "phi": -115.841160621904, "chainID": "B", @@ -308599,7 +236959,7 @@ } }, { - "pk": 4030, + "pk": 3054, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -308615,17 +236975,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.1311577770171, - "sidechain_PHE": 149, + "sidechain_PHE": 116, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4031, + "next": 3055, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4029, + "prev": 3053, "terminal_flag": false, "phi": -43.2511776069316, "chainID": "B", @@ -308660,7 +237020,7 @@ } }, { - "pk": 4031, + "pk": 3055, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -308680,13 +237040,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 226, + "sidechain_THR": 165, "sidechain_TRP": null, - "next": 4032, + "next": 3056, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4030, + "prev": 3054, "terminal_flag": false, "phi": -108.11449058933, "chainID": "B", @@ -308721,7 +237081,7 @@ } }, { - "pk": 4032, + "pk": 3056, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -308743,11 +237103,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4033, + "next": 3057, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4031, + "prev": 3055, "terminal_flag": false, "phi": -150.220164705385, "chainID": "B", @@ -308776,13 +237136,13 @@ "a5": 120.774871815947, "sidechain_LEU": null, "chainIndex": 639, - "sidechain_HIS": 108, + "sidechain_HIS": 86, "h_bond_energy": 0.0, "a4": 107.645035395944 } }, { - "pk": 4033, + "pk": 3057, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -308794,7 +237154,7 @@ "psi": 140.723698993025, "oldID": "741", "bg": 31.03, - "sidechain_CYS": 74, + "sidechain_CYS": 56, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.0558657063136, @@ -308804,11 +237164,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4034, + "next": 3058, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 4032, + "prev": 3056, "terminal_flag": false, "phi": -144.077827225711, "chainID": "B", @@ -308843,7 +237203,7 @@ } }, { - "pk": 4034, + "pk": 3058, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -308865,11 +237225,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4035, + "next": 3059, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 4033, + "prev": 3057, "terminal_flag": false, "phi": -62.3289814042082, "chainID": "B", @@ -308889,7 +237249,7 @@ "L1": 1.32942034320407, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 296, + "sidechain_GLU": 238, "omep": null, "ss": "-", "a3": 110.439343753163, @@ -308904,7 +237264,7 @@ } }, { - "pk": 4035, + "pk": 3059, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -308917,7 +237277,7 @@ "oldID": "743", "bg": 28.21, "sidechain_CYS": null, - "sidechain_ILE": 253, + "sidechain_ILE": 201, "protein": "1TWF", "zeta": 34.7242958314603, "sidechain_PHE": null, @@ -308926,11 +237286,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4036, + "next": 3060, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4034, + "prev": 3058, "terminal_flag": false, "phi": -66.9221216363893, "chainID": "B", @@ -308965,7 +237325,7 @@ } }, { - "pk": 4036, + "pk": 3060, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -308987,11 +237347,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4037, + "next": 3061, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4035, + "prev": 3059, "terminal_flag": false, "phi": -166.197085991831, "chainID": "B", @@ -309020,17 +237380,17 @@ "a5": 121.454607756955, "sidechain_LEU": null, "chainIndex": 643, - "sidechain_HIS": 109, + "sidechain_HIS": 87, "h_bond_energy": 0.0, "a4": 109.846402026178 } }, { - "pk": 4037, + "pk": 3061, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 204, + "sidechain_PRO": 148, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -309048,11 +237408,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4038, + "next": 3062, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4036, + "prev": 3060, "terminal_flag": false, "phi": -52.1635055611933, "chainID": "B", @@ -309087,7 +237447,7 @@ } }, { - "pk": 4038, + "pk": 3062, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -309109,11 +237469,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4039, - "sidechain_SER": 209, + "next": 3063, + "sidechain_SER": 163, "bm": 28.0, "xpr": false, - "prev": 4037, + "prev": 3061, "terminal_flag": false, "phi": -62.5248561042001, "chainID": "B", @@ -309148,7 +237508,7 @@ } }, { - "pk": 4039, + "pk": 3063, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -309167,14 +237527,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 106, + "sidechain_MET": 79, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4040, + "next": 3064, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4038, + "prev": 3062, "terminal_flag": false, "phi": -81.8290557779997, "chainID": "B", @@ -309209,7 +237569,7 @@ } }, { - "pk": 4040, + "pk": 3064, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -309222,7 +237582,7 @@ "oldID": "748", "bg": 17.88, "sidechain_CYS": null, - "sidechain_ILE": 254, + "sidechain_ILE": 202, "protein": "1TWF", "zeta": 35.6513290911174, "sidechain_PHE": null, @@ -309231,11 +237591,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4041, + "next": 3065, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4039, + "prev": 3063, "terminal_flag": false, "phi": -80.4034139128619, "chainID": "B", @@ -309270,7 +237630,7 @@ } }, { - "pk": 4041, + "pk": 3065, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -309292,11 +237652,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4042, + "next": 3066, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4040, + "prev": 3064, "terminal_flag": false, "phi": -89.8105911325557, "chainID": "B", @@ -309323,7 +237683,7 @@ "bs": 15.0, "a2": 110.888463072218, "a5": 121.042492113814, - "sidechain_LEU": 343, + "sidechain_LEU": 283, "chainIndex": 648, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -309331,7 +237691,7 @@ } }, { - "pk": 4042, + "pk": 3066, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -309353,11 +237713,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4043, + "next": 3067, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 4041, + "prev": 3065, "terminal_flag": false, "phi": -102.787027803792, "chainID": "B", @@ -309392,7 +237752,7 @@ } }, { - "pk": 4043, + "pk": 3067, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -309410,15 +237770,15 @@ "zeta": 33.7774773060139, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 277, + "sidechain_VAL": 225, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4044, + "next": 3068, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4042, + "prev": 3066, "terminal_flag": false, "phi": -49.2291013527639, "chainID": "B", @@ -309453,7 +237813,7 @@ } }, { - "pk": 4044, + "pk": 3068, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -309475,11 +237835,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4045, + "next": 3069, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4043, + "prev": 3067, "terminal_flag": false, "phi": -67.8833297541851, "chainID": "B", @@ -309514,7 +237874,7 @@ } }, { - "pk": 4045, + "pk": 3069, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -309536,11 +237896,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4046, + "next": 3070, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4044, + "prev": 3068, "terminal_flag": false, "phi": -58.0707132291531, "chainID": "B", @@ -309575,7 +237935,7 @@ } }, { - "pk": 4046, + "pk": 3070, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -309597,11 +237957,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4047, - "sidechain_SER": 210, + "next": 3071, + "sidechain_SER": 164, "bm": 27.0, "xpr": false, - "prev": 4045, + "prev": 3069, "terminal_flag": false, "phi": -60.3506487520622, "chainID": "B", @@ -309636,7 +237996,7 @@ } }, { - "pk": 4047, + "pk": 3071, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -309649,7 +238009,7 @@ "oldID": "755", "bg": 32.81, "sidechain_CYS": null, - "sidechain_ILE": 255, + "sidechain_ILE": 203, "protein": "1TWF", "zeta": 36.0225085048658, "sidechain_PHE": null, @@ -309658,11 +238018,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4048, + "next": 3072, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4046, + "prev": 3070, "terminal_flag": false, "phi": -105.640623967048, "chainID": "B", @@ -309697,7 +238057,7 @@ } }, { - "pk": 4048, + "pk": 3072, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -309710,7 +238070,7 @@ "oldID": "756", "bg": 28.48, "sidechain_CYS": null, - "sidechain_ILE": 256, + "sidechain_ILE": 204, "protein": "1TWF", "zeta": 35.5409306345934, "sidechain_PHE": null, @@ -309719,11 +238079,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4049, + "next": 3073, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4047, + "prev": 3071, "terminal_flag": false, "phi": -78.9029222206948, "chainID": "B", @@ -309758,11 +238118,11 @@ } }, { - "pk": 4049, + "pk": 3073, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 205, + "sidechain_PRO": 149, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -309780,11 +238140,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4050, + "next": 3074, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 4048, + "prev": 3072, "terminal_flag": false, "phi": -82.6144137619988, "chainID": "B", @@ -309819,7 +238179,7 @@ } }, { - "pk": 4050, + "pk": 3074, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -309835,17 +238195,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.6012205198472, - "sidechain_PHE": 150, + "sidechain_PHE": 117, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4051, + "next": 3075, "sidechain_SER": null, "bm": 21.0, "xpr": false, - "prev": 4049, + "prev": 3073, "terminal_flag": false, "phi": 48.1431131631133, "chainID": "B", @@ -309880,11 +238240,11 @@ } }, { - "pk": 4051, + "pk": 3075, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 206, + "sidechain_PRO": 150, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -309902,11 +238262,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4052, + "next": 3076, "sidechain_SER": null, "bm": 21.0, "xpr": false, - "prev": 4050, + "prev": 3074, "terminal_flag": false, "phi": -57.2465743175852, "chainID": "B", @@ -309941,14 +238301,14 @@ } }, { - "pk": 4052, + "pk": 3076, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 253, + "sidechain_ASP": 200, "a6": 117.895740361614, "psi": 7.4600478297701, "oldID": "760", @@ -309963,11 +238323,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4053, + "next": 3077, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4051, + "prev": 3075, "terminal_flag": false, "phi": -67.8284496749091, "chainID": "B", @@ -310002,7 +238362,7 @@ } }, { - "pk": 4053, + "pk": 3077, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -310024,11 +238384,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4054, + "next": 3078, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 4052, + "prev": 3076, "terminal_flag": false, "phi": -121.731495661051, "chainID": "B", @@ -310057,18 +238417,18 @@ "a5": 121.34303076735, "sidechain_LEU": null, "chainIndex": 660, - "sidechain_HIS": 110, + "sidechain_HIS": 88, "h_bond_energy": 0.0, "a4": 108.577839897906 } }, { - "pk": 4054, + "pk": 3078, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 167, + "sidechain_ASN": 118, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.952710619227, @@ -310085,11 +238445,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4055, + "next": 3079, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4053, + "prev": 3077, "terminal_flag": false, "phi": -107.551954604098, "chainID": "B", @@ -310124,7 +238484,7 @@ } }, { - "pk": 4055, + "pk": 3079, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -310146,15 +238506,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4056, + "next": 3080, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4054, + "prev": 3078, "terminal_flag": false, "phi": -68.7038657570504, "chainID": "B", - "sidechain_GLN": 155, + "sidechain_GLN": 128, "ome": -178.625873154783, "chi2": -174.752539547382, "chi3": 35.4861837066072, @@ -310185,7 +238545,7 @@ } }, { - "pk": 4056, + "pk": 3080, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -310207,11 +238567,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4057, - "sidechain_SER": 211, + "next": 3081, + "sidechain_SER": 165, "bm": 36.0, "xpr": false, - "prev": 4055, + "prev": 3079, "terminal_flag": false, "phi": -41.3758786654897, "chainID": "B", @@ -310246,11 +238606,11 @@ } }, { - "pk": 4057, + "pk": 3081, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 207, + "sidechain_PRO": 151, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -310268,11 +238628,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4058, + "next": 3082, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4056, + "prev": 3080, "terminal_flag": false, "phi": -61.4330998027207, "chainID": "B", @@ -310307,7 +238667,7 @@ } }, { - "pk": 4058, + "pk": 3082, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -310329,11 +238689,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4059, + "next": 3083, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4057, + "prev": 3081, "terminal_flag": false, "phi": -66.088618604912, "chainID": "B", @@ -310351,7 +238711,7 @@ "L3": 1.53768598579953, "a7": 121.106556092344, "L1": 1.33287881548638, - "sidechain_ARG": 205, + "sidechain_ARG": 164, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -310368,12 +238728,12 @@ } }, { - "pk": 4059, + "pk": 3083, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 168, + "sidechain_ASN": 119, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.852390713098, @@ -310390,11 +238750,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4060, + "next": 3084, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4058, + "prev": 3082, "terminal_flag": false, "phi": -71.3348661919605, "chainID": "B", @@ -310429,7 +238789,7 @@ } }, { - "pk": 4060, + "pk": 3084, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -310449,13 +238809,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 227, + "sidechain_THR": 166, "sidechain_TRP": null, - "next": 4061, + "next": 3085, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4059, + "prev": 3083, "terminal_flag": false, "phi": -66.2146882256641, "chainID": "B", @@ -310490,7 +238850,7 @@ } }, { - "pk": 4061, + "pk": 3085, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -310512,11 +238872,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4062, + "next": 3086, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4060, + "prev": 3084, "terminal_flag": false, "phi": -57.2446510517971, "chainID": "B", @@ -310535,7 +238895,7 @@ "a7": 123.599703197111, "L1": 1.32847812015292, "sidechain_ARG": null, - "sidechain_TYR": 124, + "sidechain_TYR": 81, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -310551,7 +238911,7 @@ } }, { - "pk": 4062, + "pk": 3086, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -310573,15 +238933,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4063, + "next": 3087, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4061, + "prev": 3085, "terminal_flag": false, "phi": -66.8318497067799, "chainID": "B", - "sidechain_GLN": 156, + "sidechain_GLN": 129, "ome": -179.392155766761, "chi2": 47.0924310337946, "chi3": 29.7463365946281, @@ -310612,7 +238972,7 @@ } }, { - "pk": 4063, + "pk": 3087, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -310634,11 +238994,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4064, - "sidechain_SER": 212, + "next": 3088, + "sidechain_SER": 166, "bm": 32.0, "xpr": false, - "prev": 4062, + "prev": 3086, "terminal_flag": false, "phi": -63.621792619034, "chainID": "B", @@ -310673,7 +239033,7 @@ } }, { - "pk": 4064, + "pk": 3088, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -310695,11 +239055,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4065, + "next": 3089, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4063, + "prev": 3087, "terminal_flag": false, "phi": -91.38224731919, "chainID": "B", @@ -310734,7 +239094,7 @@ } }, { - "pk": 4065, + "pk": 3089, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -310753,14 +239113,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 107, + "sidechain_MET": 80, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4066, + "next": 3090, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4064, + "prev": 3088, "terminal_flag": false, "phi": -55.5657614767448, "chainID": "B", @@ -310795,7 +239155,7 @@ } }, { - "pk": 4066, + "pk": 3090, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -310817,11 +239177,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4067, + "next": 3091, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4065, + "prev": 3089, "terminal_flag": false, "phi": -48.6576021213419, "chainID": "B", @@ -310856,7 +239216,7 @@ } }, { - "pk": 4067, + "pk": 3091, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -310873,16 +239233,16 @@ "protein": "1TWF", "zeta": 34.7120029293152, "sidechain_PHE": null, - "sidechain_LYS": 265, + "sidechain_LYS": 186, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4068, + "next": 3092, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4066, + "prev": 3090, "terminal_flag": false, "phi": -71.3746475077188, "chainID": "B", @@ -310917,7 +239277,7 @@ } }, { - "pk": 4068, + "pk": 3092, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -310939,15 +239299,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4069, + "next": 3093, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4067, + "prev": 3091, "terminal_flag": false, "phi": -106.463182051805, "chainID": "B", - "sidechain_GLN": 157, + "sidechain_GLN": 130, "ome": -179.731905067577, "chi2": 160.94842526073, "chi3": 51.5982680382921, @@ -310978,7 +239338,7 @@ } }, { - "pk": 4069, + "pk": 3093, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -311000,11 +239360,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4070, + "next": 3094, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4068, + "prev": 3092, "terminal_flag": false, "phi": -88.944309305668, "chainID": "B", @@ -311039,7 +239399,7 @@ } }, { - "pk": 4070, + "pk": 3094, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -311058,14 +239418,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 108, + "sidechain_MET": 81, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4071, + "next": 3095, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4069, + "prev": 3093, "terminal_flag": false, "phi": -103.112569443698, "chainID": "B", @@ -311100,7 +239460,7 @@ } }, { - "pk": 4071, + "pk": 3095, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -311122,11 +239482,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4072, + "next": 3096, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4070, + "prev": 3094, "terminal_flag": false, "phi": -153.834831890301, "chainID": "B", @@ -311161,7 +239521,7 @@ } }, { - "pk": 4072, + "pk": 3096, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -311179,15 +239539,15 @@ "zeta": 35.7732482923699, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 278, + "sidechain_VAL": 226, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4073, + "next": 3097, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4071, + "prev": 3095, "terminal_flag": false, "phi": -145.31814996955, "chainID": "B", @@ -311222,7 +239582,7 @@ } }, { - "pk": 4073, + "pk": 3097, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -311238,17 +239598,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 31.9165218512115, - "sidechain_PHE": 151, + "sidechain_PHE": 118, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4074, + "next": 3098, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4072, + "prev": 3096, "terminal_flag": false, "phi": -46.0923337326265, "chainID": "B", @@ -311283,7 +239643,7 @@ } }, { - "pk": 4074, + "pk": 3098, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -311305,11 +239665,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4075, + "next": 3099, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4073, + "prev": 3097, "terminal_flag": false, "phi": -150.122995651065, "chainID": "B", @@ -311336,7 +239696,7 @@ "bs": 30.0, "a2": 112.50903224639, "a5": 121.252255375886, - "sidechain_LEU": 344, + "sidechain_LEU": 284, "chainIndex": 681, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -311344,7 +239704,7 @@ } }, { - "pk": 4075, + "pk": 3099, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -311364,13 +239724,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 228, + "sidechain_THR": 167, "sidechain_TRP": null, - "next": 4076, + "next": 3100, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4074, + "prev": 3098, "terminal_flag": false, "phi": -85.2249840539186, "chainID": "B", @@ -311405,12 +239765,12 @@ } }, { - "pk": 4076, + "pk": 3100, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 169, + "sidechain_ASN": 120, "chain": "1TWFB", "sidechain_ASP": null, "a6": 117.540294839083, @@ -311427,11 +239787,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4077, + "next": 3101, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4075, + "prev": 3099, "terminal_flag": false, "phi": -111.742953554209, "chainID": "B", @@ -311466,7 +239826,7 @@ } }, { - "pk": 4077, + "pk": 3101, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -311488,11 +239848,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4078, + "next": 3102, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4076, + "prev": 3100, "terminal_flag": false, "phi": -65.4931396511888, "chainID": "B", @@ -311511,7 +239871,7 @@ "a7": 123.089176659622, "L1": 1.3300979756233, "sidechain_ARG": null, - "sidechain_TYR": 125, + "sidechain_TYR": 82, "sidechain_GLU": null, "omep": null, "ss": "T", @@ -311527,12 +239887,12 @@ } }, { - "pk": 4078, + "pk": 3102, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 170, + "sidechain_ASN": 121, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.536066532068, @@ -311549,11 +239909,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4079, + "next": 3103, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4077, + "prev": 3101, "terminal_flag": false, "phi": -69.2953302732039, "chainID": "B", @@ -311588,7 +239948,7 @@ } }, { - "pk": 4079, + "pk": 3103, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -311606,15 +239966,15 @@ "zeta": 34.4434058515844, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 279, + "sidechain_VAL": 227, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4080, + "next": 3104, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4078, + "prev": 3102, "terminal_flag": false, "phi": -106.422504243589, "chainID": "B", @@ -311649,7 +240009,7 @@ } }, { - "pk": 4080, + "pk": 3104, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -311671,11 +240031,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4081, + "next": 3105, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4079, + "prev": 3103, "terminal_flag": false, "phi": -78.2588676915511, "chainID": "B", @@ -311693,7 +240053,7 @@ "L3": 1.5359650977486, "a7": 122.157363109807, "L1": 1.32778178399366, - "sidechain_ARG": 206, + "sidechain_ARG": 165, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -311710,7 +240070,7 @@ } }, { - "pk": 4081, + "pk": 3105, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -311729,14 +240089,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 109, + "sidechain_MET": 82, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4082, + "next": 3106, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4080, + "prev": 3104, "terminal_flag": false, "phi": -111.490293381502, "chainID": "B", @@ -311771,14 +240131,14 @@ } }, { - "pk": 4082, + "pk": 3106, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 254, + "sidechain_ASP": 201, "a6": 115.363715728559, "psi": 157.090726299046, "oldID": "790", @@ -311793,11 +240153,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4083, + "next": 3107, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4081, + "prev": 3105, "terminal_flag": false, "phi": -89.4059543843973, "chainID": "B", @@ -311832,7 +240192,7 @@ } }, { - "pk": 4083, + "pk": 3107, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -311852,13 +240212,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 229, + "sidechain_THR": 168, "sidechain_TRP": null, - "next": 4084, + "next": 3108, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4082, + "prev": 3106, "terminal_flag": false, "phi": -39.0006484924553, "chainID": "B", @@ -311893,7 +240253,7 @@ } }, { - "pk": 4084, + "pk": 3108, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -311912,14 +240272,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 110, + "sidechain_MET": 83, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4085, + "next": 3109, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4083, + "prev": 3107, "terminal_flag": false, "phi": -128.801945855422, "chainID": "B", @@ -311954,7 +240314,7 @@ } }, { - "pk": 4085, + "pk": 3109, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -311976,11 +240336,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4086, + "next": 3110, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4084, + "prev": 3108, "terminal_flag": false, "phi": -156.505959108068, "chainID": "B", @@ -312015,12 +240375,12 @@ } }, { - "pk": 4086, + "pk": 3110, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 171, + "sidechain_ASN": 122, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.248717713817, @@ -312037,11 +240397,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4087, + "next": 3111, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4085, + "prev": 3109, "terminal_flag": false, "phi": -129.444548009783, "chainID": "B", @@ -312076,7 +240436,7 @@ } }, { - "pk": 4087, + "pk": 3111, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -312089,7 +240449,7 @@ "oldID": "795", "bg": 40.82, "sidechain_CYS": null, - "sidechain_ILE": 257, + "sidechain_ILE": 205, "protein": "1TWF", "zeta": 33.7338892032192, "sidechain_PHE": null, @@ -312098,11 +240458,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4088, + "next": 3112, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4086, + "prev": 3110, "terminal_flag": false, "phi": -112.55512665632, "chainID": "B", @@ -312137,7 +240497,7 @@ } }, { - "pk": 4088, + "pk": 3112, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -312159,11 +240519,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4089, + "next": 3113, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4087, + "prev": 3111, "terminal_flag": false, "phi": -67.3326045384302, "chainID": "B", @@ -312190,7 +240550,7 @@ "bs": 40.0, "a2": 108.341567955071, "a5": 120.468353985942, - "sidechain_LEU": 345, + "sidechain_LEU": 285, "chainIndex": 695, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -312198,7 +240558,7 @@ } }, { - "pk": 4089, + "pk": 3113, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -312220,11 +240580,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4090, + "next": 3114, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 4088, + "prev": 3112, "terminal_flag": false, "phi": -47.5072764274296, "chainID": "B", @@ -312243,7 +240603,7 @@ "a7": 122.934318238996, "L1": 1.33341179226593, "sidechain_ARG": null, - "sidechain_TYR": 126, + "sidechain_TYR": 83, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -312259,7 +240619,7 @@ } }, { - "pk": 4090, + "pk": 3114, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -312281,11 +240641,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4091, + "next": 3115, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4089, + "prev": 3113, "terminal_flag": false, "phi": -122.547891425597, "chainID": "B", @@ -312304,7 +240664,7 @@ "a7": 122.358116657476, "L1": 1.32791344333125, "sidechain_ARG": null, - "sidechain_TYR": 127, + "sidechain_TYR": 84, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -312320,11 +240680,11 @@ } }, { - "pk": 4091, + "pk": 3115, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 208, + "sidechain_PRO": 152, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -312342,11 +240702,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4092, + "next": 3116, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4090, + "prev": 3114, "terminal_flag": false, "phi": -53.4257960773499, "chainID": "B", @@ -312381,7 +240741,7 @@ } }, { - "pk": 4092, + "pk": 3116, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -312403,15 +240763,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4093, + "next": 3117, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4091, + "prev": 3115, "terminal_flag": false, "phi": -125.357529527497, "chainID": "B", - "sidechain_GLN": 158, + "sidechain_GLN": 131, "ome": 177.745800302245, "chi2": -164.504447100186, "chi3": -25.9016263526126, @@ -312442,7 +240802,7 @@ } }, { - "pk": 4093, + "pk": 3117, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -312459,16 +240819,16 @@ "protein": "1TWF", "zeta": 32.9908034243997, "sidechain_PHE": null, - "sidechain_LYS": 266, + "sidechain_LYS": 187, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4094, + "next": 3118, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4092, + "prev": 3116, "terminal_flag": false, "phi": -95.3126209584005, "chainID": "B", @@ -312503,11 +240863,11 @@ } }, { - "pk": 4094, + "pk": 3118, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 209, + "sidechain_PRO": 153, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -312525,11 +240885,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4095, + "next": 3119, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4093, + "prev": 3117, "terminal_flag": false, "phi": -54.6459094293871, "chainID": "B", @@ -312564,7 +240924,7 @@ } }, { - "pk": 4095, + "pk": 3119, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -312586,11 +240946,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4096, + "next": 3120, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4094, + "prev": 3118, "terminal_flag": false, "phi": -54.5612336786154, "chainID": "B", @@ -312617,7 +240977,7 @@ "bs": 23.0, "a2": 109.794098517661, "a5": 120.579396390329, - "sidechain_LEU": 346, + "sidechain_LEU": 286, "chainIndex": 702, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -312625,7 +240985,7 @@ } }, { - "pk": 4096, + "pk": 3120, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -312647,11 +241007,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4097, + "next": 3121, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4095, + "prev": 3119, "terminal_flag": false, "phi": -111.015365984378, "chainID": "B", @@ -312686,7 +241046,7 @@ } }, { - "pk": 4097, + "pk": 3121, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -312706,13 +241066,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 230, + "sidechain_THR": 169, "sidechain_TRP": null, - "next": 4098, + "next": 3122, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4096, + "prev": 3120, "terminal_flag": false, "phi": -100.810546989681, "chainID": "B", @@ -312747,7 +241107,7 @@ } }, { - "pk": 4098, + "pk": 3122, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -312767,13 +241127,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 231, + "sidechain_THR": 170, "sidechain_TRP": null, - "next": 4099, + "next": 3123, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4097, + "prev": 3121, "terminal_flag": false, "phi": -134.257731915392, "chainID": "B", @@ -312808,7 +241168,7 @@ } }, { - "pk": 4099, + "pk": 3123, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -312830,11 +241190,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4100, + "next": 3124, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4098, + "prev": 3122, "terminal_flag": false, "phi": -70.9035263053206, "chainID": "B", @@ -312852,7 +241212,7 @@ "L3": 1.53807864165302, "a7": 123.62730354957, "L1": 1.33191562583557, - "sidechain_ARG": 207, + "sidechain_ARG": 166, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -312869,7 +241229,7 @@ } }, { - "pk": 4100, + "pk": 3124, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -312891,11 +241251,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4101, + "next": 3125, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4099, + "prev": 3123, "terminal_flag": false, "phi": -68.9396374182682, "chainID": "B", @@ -312930,7 +241290,7 @@ } }, { - "pk": 4101, + "pk": 3125, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -312949,14 +241309,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 111, + "sidechain_MET": 84, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4102, + "next": 3126, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4100, + "prev": 3124, "terminal_flag": false, "phi": -45.2251446892689, "chainID": "B", @@ -312991,7 +241351,7 @@ } }, { - "pk": 4102, + "pk": 3126, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -313013,11 +241373,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4103, + "next": 3127, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4101, + "prev": 3125, "terminal_flag": false, "phi": -51.8352544111325, "chainID": "B", @@ -313037,7 +241397,7 @@ "L1": 1.32948676736226, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 297, + "sidechain_GLU": 239, "omep": null, "ss": "H", "a3": 112.211712355142, @@ -313052,7 +241412,7 @@ } }, { - "pk": 4103, + "pk": 3127, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -313074,11 +241434,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4104, + "next": 3128, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4102, + "prev": 3126, "terminal_flag": false, "phi": -82.2780376153521, "chainID": "B", @@ -313097,7 +241457,7 @@ "a7": 122.659088239295, "L1": 1.32639915139123, "sidechain_ARG": null, - "sidechain_TYR": 128, + "sidechain_TYR": 85, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -313113,7 +241473,7 @@ } }, { - "pk": 4104, + "pk": 3128, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -313135,11 +241495,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4105, + "next": 3129, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4103, + "prev": 3127, "terminal_flag": false, "phi": -89.6561942489529, "chainID": "B", @@ -313166,7 +241526,7 @@ "bs": 44.0, "a2": 109.849707954243, "a5": 120.317349015036, - "sidechain_LEU": 347, + "sidechain_LEU": 287, "chainIndex": 711, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -313174,7 +241534,7 @@ } }, { - "pk": 4105, + "pk": 3129, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -313191,16 +241551,16 @@ "protein": "1TWF", "zeta": 35.0797147012585, "sidechain_PHE": null, - "sidechain_LYS": 267, + "sidechain_LYS": 188, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4106, + "next": 3130, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4104, + "prev": 3128, "terminal_flag": false, "phi": 59.4960117472226, "chainID": "B", @@ -313235,7 +241595,7 @@ } }, { - "pk": 4106, + "pk": 3130, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -313251,17 +241611,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.200649666301, - "sidechain_PHE": 152, + "sidechain_PHE": 119, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4107, + "next": 3131, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4105, + "prev": 3129, "terminal_flag": false, "phi": -66.3098135333343, "chainID": "B", @@ -313296,7 +241656,7 @@ } }, { - "pk": 4107, + "pk": 3131, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -313318,11 +241678,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4108, + "next": 3132, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4106, + "prev": 3130, "terminal_flag": false, "phi": -60.3869357622741, "chainID": "B", @@ -313340,7 +241700,7 @@ "L3": 1.53453109551867, "a7": 122.750342308153, "L1": 1.33459845505734, - "sidechain_ARG": 208, + "sidechain_ARG": 167, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -313357,7 +241717,7 @@ } }, { - "pk": 4108, + "pk": 3132, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -313379,11 +241739,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4109, + "next": 3133, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4107, + "prev": 3131, "terminal_flag": false, "phi": -85.2942566445667, "chainID": "B", @@ -313403,7 +241763,7 @@ "L1": 1.33084250091486, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 298, + "sidechain_GLU": 240, "omep": null, "ss": "T", "a3": 110.582439212277, @@ -313418,7 +241778,7 @@ } }, { - "pk": 4109, + "pk": 3133, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -313440,11 +241800,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4110, + "next": 3134, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4108, + "prev": 3132, "terminal_flag": false, "phi": -126.154437525903, "chainID": "B", @@ -313471,7 +241831,7 @@ "bs": 33.0, "a2": 109.428242952091, "a5": 120.901002117854, - "sidechain_LEU": 348, + "sidechain_LEU": 288, "chainIndex": 716, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -313479,11 +241839,11 @@ } }, { - "pk": 4110, + "pk": 3134, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 210, + "sidechain_PRO": 154, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -313501,11 +241861,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4111, + "next": 3135, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4109, + "prev": 3133, "terminal_flag": false, "phi": -66.1904654141032, "chainID": "B", @@ -313540,7 +241900,7 @@ } }, { - "pk": 4111, + "pk": 3135, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -313562,11 +241922,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4112, + "next": 3136, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4110, + "prev": 3134, "terminal_flag": false, "phi": -127.182850723379, "chainID": "B", @@ -313601,7 +241961,7 @@ } }, { - "pk": 4112, + "pk": 3136, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -313623,11 +241983,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4113, + "next": 3137, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4111, + "prev": 3135, "terminal_flag": false, "phi": 163.030590000615, "chainID": "B", @@ -313662,7 +242022,7 @@ } }, { - "pk": 4113, + "pk": 3137, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -313684,15 +242044,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4114, + "next": 3138, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4112, + "prev": 3136, "terminal_flag": false, "phi": -135.683152271353, "chainID": "B", - "sidechain_GLN": 159, + "sidechain_GLN": 132, "ome": 178.864543201851, "chi2": 169.980581693754, "chi3": -37.17053079783, @@ -313723,12 +242083,12 @@ } }, { - "pk": 4114, + "pk": 3138, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 172, + "sidechain_ASN": 123, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.630376032386, @@ -313745,11 +242105,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4115, + "next": 3139, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4113, + "prev": 3137, "terminal_flag": false, "phi": -83.8618853313195, "chainID": "B", @@ -313784,7 +242144,7 @@ } }, { - "pk": 4115, + "pk": 3139, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -313806,11 +242166,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4116, + "next": 3140, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4114, + "prev": 3138, "terminal_flag": false, "phi": -92.7178551984758, "chainID": "B", @@ -313845,7 +242205,7 @@ } }, { - "pk": 4116, + "pk": 3140, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -313858,7 +242218,7 @@ "oldID": "824", "bg": 20.73, "sidechain_CYS": null, - "sidechain_ILE": 258, + "sidechain_ILE": 206, "protein": "1TWF", "zeta": 35.1253119572191, "sidechain_PHE": null, @@ -313867,11 +242227,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4117, + "next": 3141, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 4115, + "prev": 3139, "terminal_flag": false, "phi": -77.6368559013209, "chainID": "B", @@ -313906,7 +242266,7 @@ } }, { - "pk": 4117, + "pk": 3141, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -313924,15 +242284,15 @@ "zeta": 33.3546408431028, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 280, + "sidechain_VAL": 228, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4118, + "next": 3142, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4116, + "prev": 3140, "terminal_flag": false, "phi": -112.56788224558, "chainID": "B", @@ -313967,7 +242327,7 @@ } }, { - "pk": 4118, + "pk": 3142, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -313989,11 +242349,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4119, + "next": 3143, "sidechain_SER": null, "bm": 18.0, "xpr": false, - "prev": 4117, + "prev": 3141, "terminal_flag": false, "phi": -104.667693806106, "chainID": "B", @@ -314028,7 +242388,7 @@ } }, { - "pk": 4119, + "pk": 3143, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -314041,7 +242401,7 @@ "oldID": "827", "bg": 18.72, "sidechain_CYS": null, - "sidechain_ILE": 259, + "sidechain_ILE": 207, "protein": "1TWF", "zeta": 33.1246786448309, "sidechain_PHE": null, @@ -314050,11 +242410,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4120, + "next": 3144, "sidechain_SER": null, "bm": 20.0, "xpr": false, - "prev": 4118, + "prev": 3142, "terminal_flag": false, "phi": -107.546900979338, "chainID": "B", @@ -314089,7 +242449,7 @@ } }, { - "pk": 4120, + "pk": 3144, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -314111,11 +242471,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4121, + "next": 3145, "sidechain_SER": null, "bm": 20.0, "xpr": false, - "prev": 4119, + "prev": 3143, "terminal_flag": false, "phi": -148.204754822419, "chainID": "B", @@ -314150,7 +242510,7 @@ } }, { - "pk": 4121, + "pk": 3145, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -314162,7 +242522,7 @@ "psi": 124.846039719174, "oldID": "829", "bg": 27.76, - "sidechain_CYS": 75, + "sidechain_CYS": 57, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.5806499868495, @@ -314172,11 +242532,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4122, + "next": 3146, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4120, + "prev": 3144, "terminal_flag": false, "phi": -95.6640516981919, "chainID": "B", @@ -314211,7 +242571,7 @@ } }, { - "pk": 4122, + "pk": 3146, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -314233,11 +242593,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4123, + "next": 3147, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4121, + "prev": 3145, "terminal_flag": false, "phi": -119.169896708492, "chainID": "B", @@ -314256,7 +242616,7 @@ "a7": 121.899620654112, "L1": 1.3395646074072, "sidechain_ARG": null, - "sidechain_TYR": 129, + "sidechain_TYR": 86, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -314272,7 +242632,7 @@ } }, { - "pk": 4123, + "pk": 3147, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -314294,11 +242654,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4124, - "sidechain_SER": 213, + "next": 3148, + "sidechain_SER": 167, "bm": 26.0, "xpr": false, - "prev": 4122, + "prev": 3146, "terminal_flag": false, "phi": -67.0647340861995, "chainID": "B", @@ -314333,7 +242693,7 @@ } }, { - "pk": 4124, + "pk": 3148, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -314355,11 +242715,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4125, + "next": 3149, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4123, + "prev": 3147, "terminal_flag": false, "phi": 87.7926483818258, "chainID": "B", @@ -314394,7 +242754,7 @@ } }, { - "pk": 4125, + "pk": 3149, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -314416,11 +242776,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4126, + "next": 3150, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4124, + "prev": 3148, "terminal_flag": false, "phi": -91.6157034803153, "chainID": "B", @@ -314439,7 +242799,7 @@ "a7": 122.954101381658, "L1": 1.334269793188, "sidechain_ARG": null, - "sidechain_TYR": 130, + "sidechain_TYR": 87, "sidechain_GLU": null, "omep": null, "ss": "T", @@ -314455,12 +242815,12 @@ } }, { - "pk": 4126, + "pk": 3150, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 173, + "sidechain_ASN": 124, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.459720283826, @@ -314477,11 +242837,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4127, + "next": 3151, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4125, + "prev": 3149, "terminal_flag": false, "phi": -136.344862456126, "chainID": "B", @@ -314516,7 +242876,7 @@ } }, { - "pk": 4127, + "pk": 3151, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -314538,15 +242898,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4128, + "next": 3152, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4126, + "prev": 3150, "terminal_flag": false, "phi": -85.3375393536611, "chainID": "B", - "sidechain_GLN": 160, + "sidechain_GLN": 133, "ome": 177.89068312613, "chi2": -164.573613047972, "chi3": 62.7644971026182, @@ -314577,7 +242937,7 @@ } }, { - "pk": 4128, + "pk": 3152, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -314599,11 +242959,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4129, + "next": 3153, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4127, + "prev": 3151, "terminal_flag": false, "phi": 44.1749765488689, "chainID": "B", @@ -314623,7 +242983,7 @@ "L1": 1.33001494531663, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 299, + "sidechain_GLU": 241, "omep": null, "ss": "T", "a3": 116.812938368306, @@ -314638,14 +242998,14 @@ } }, { - "pk": 4129, + "pk": 3153, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 255, + "sidechain_ASP": 202, "a6": 115.833095260025, "psi": 43.4260792420384, "oldID": "837", @@ -314660,11 +243020,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4130, + "next": 3154, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4128, + "prev": 3152, "terminal_flag": false, "phi": 65.1020051616475, "chainID": "B", @@ -314699,7 +243059,7 @@ } }, { - "pk": 4130, + "pk": 3154, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -314721,11 +243081,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4131, - "sidechain_SER": 214, + "next": 3155, + "sidechain_SER": 168, "bm": 34.0, "xpr": false, - "prev": 4129, + "prev": 3153, "terminal_flag": false, "phi": -126.92002306551, "chainID": "B", @@ -314760,7 +243120,7 @@ } }, { - "pk": 4131, + "pk": 3155, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -314779,14 +243139,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 112, + "sidechain_MET": 85, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4132, + "next": 3156, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4130, + "prev": 3154, "terminal_flag": false, "phi": -145.961761856832, "chainID": "B", @@ -314821,7 +243181,7 @@ } }, { - "pk": 4132, + "pk": 3156, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -314834,7 +243194,7 @@ "oldID": "840", "bg": 34.41, "sidechain_CYS": null, - "sidechain_ILE": 260, + "sidechain_ILE": 208, "protein": "1TWF", "zeta": 36.114802397142, "sidechain_PHE": null, @@ -314843,11 +243203,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4133, + "next": 3157, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4131, + "prev": 3155, "terminal_flag": false, "phi": -93.313861678274, "chainID": "B", @@ -314882,7 +243242,7 @@ } }, { - "pk": 4133, + "pk": 3157, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -314901,14 +243261,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 113, + "sidechain_MET": 86, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4134, + "next": 3158, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4132, + "prev": 3156, "terminal_flag": false, "phi": -116.688448458778, "chainID": "B", @@ -314943,12 +243303,12 @@ } }, { - "pk": 4134, + "pk": 3158, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 174, + "sidechain_ASN": 125, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.72492138331, @@ -314965,11 +243325,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4135, + "next": 3159, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 4133, + "prev": 3157, "terminal_flag": false, "phi": -65.378809451591, "chainID": "B", @@ -315004,7 +243364,7 @@ } }, { - "pk": 4135, + "pk": 3159, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -315026,15 +243386,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4136, + "next": 3160, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4134, + "prev": 3158, "terminal_flag": false, "phi": -65.4665594868761, "chainID": "B", - "sidechain_GLN": 161, + "sidechain_GLN": 134, "ome": 179.706541514878, "chi2": 63.8251317935357, "chi3": 52.9976278838657, @@ -315065,7 +243425,7 @@ } }, { - "pk": 4136, + "pk": 3160, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -315087,11 +243447,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4137, - "sidechain_SER": 215, + "next": 3161, + "sidechain_SER": 169, "bm": 34.0, "xpr": false, - "prev": 4135, + "prev": 3159, "terminal_flag": false, "phi": -56.6048084148117, "chainID": "B", @@ -315126,7 +243486,7 @@ } }, { - "pk": 4137, + "pk": 3161, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -315148,11 +243508,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4138, - "sidechain_SER": 216, + "next": 3162, + "sidechain_SER": 170, "bm": 30.0, "xpr": false, - "prev": 4136, + "prev": 3160, "terminal_flag": false, "phi": -64.4077398896478, "chainID": "B", @@ -315187,7 +243547,7 @@ } }, { - "pk": 4138, + "pk": 3162, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -315200,7 +243560,7 @@ "oldID": "846", "bg": 31.0, "sidechain_CYS": null, - "sidechain_ILE": 261, + "sidechain_ILE": 209, "protein": "1TWF", "zeta": 33.5301833838681, "sidechain_PHE": null, @@ -315209,11 +243569,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4139, + "next": 3163, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4137, + "prev": 3161, "terminal_flag": false, "phi": -54.0501905347548, "chainID": "B", @@ -315248,14 +243608,14 @@ } }, { - "pk": 4139, + "pk": 3163, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 256, + "sidechain_ASP": 203, "a6": 115.893889654494, "psi": -34.5576107165118, "oldID": "847", @@ -315270,11 +243630,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4140, + "next": 3164, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4138, + "prev": 3162, "terminal_flag": false, "phi": -70.5415357622237, "chainID": "B", @@ -315309,7 +243669,7 @@ } }, { - "pk": 4140, + "pk": 3164, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -315331,11 +243691,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4141, + "next": 3165, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4139, + "prev": 3163, "terminal_flag": false, "phi": -83.3836915394618, "chainID": "B", @@ -315353,7 +243713,7 @@ "L3": 1.51799725347621, "a7": 122.928975866224, "L1": 1.323994098401, - "sidechain_ARG": 209, + "sidechain_ARG": 168, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -315370,7 +243730,7 @@ } }, { - "pk": 4141, + "pk": 3165, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -315392,11 +243752,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4142, + "next": 3166, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4140, + "prev": 3164, "terminal_flag": false, "phi": 93.6124856819843, "chainID": "B", @@ -315431,7 +243791,7 @@ } }, { - "pk": 4142, + "pk": 3166, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -315453,11 +243813,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4143, + "next": 3167, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4141, + "prev": 3165, "terminal_flag": false, "phi": -56.019480231962, "chainID": "B", @@ -315484,7 +243844,7 @@ "bs": 31.0, "a2": 110.905683989784, "a5": 120.703268045789, - "sidechain_LEU": 349, + "sidechain_LEU": 289, "chainIndex": 749, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -315492,7 +243852,7 @@ } }, { - "pk": 4143, + "pk": 3167, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -315508,17 +243868,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 32.3799798905556, - "sidechain_PHE": 153, + "sidechain_PHE": 120, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4144, + "next": 3168, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4142, + "prev": 3166, "terminal_flag": false, "phi": 57.7509060637236, "chainID": "B", @@ -315553,7 +243913,7 @@ } }, { - "pk": 4144, + "pk": 3168, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -315575,11 +243935,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4145, + "next": 3169, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4143, + "prev": 3167, "terminal_flag": false, "phi": -69.3747733997366, "chainID": "B", @@ -315597,7 +243957,7 @@ "L3": 1.53221952452485, "a7": 121.658854948627, "L1": 1.32806608939605, - "sidechain_ARG": 210, + "sidechain_ARG": 169, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -315614,7 +243974,7 @@ } }, { - "pk": 4145, + "pk": 3169, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -315636,11 +243996,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4146, - "sidechain_SER": 217, + "next": 3170, + "sidechain_SER": 171, "bm": 30.0, "xpr": false, - "prev": 4144, + "prev": 3168, "terminal_flag": false, "phi": -150.61440561715, "chainID": "B", @@ -315675,7 +244035,7 @@ } }, { - "pk": 4146, + "pk": 3170, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -315697,11 +244057,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4147, + "next": 3171, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4145, + "prev": 3169, "terminal_flag": false, "phi": -96.1375251224264, "chainID": "B", @@ -315728,7 +244088,7 @@ "bs": 36.0, "a2": 111.52841051477, "a5": 120.135171494304, - "sidechain_LEU": 350, + "sidechain_LEU": 290, "chainIndex": 753, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -315736,7 +244096,7 @@ } }, { - "pk": 4147, + "pk": 3171, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -315752,17 +244112,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.1178411451384, - "sidechain_PHE": 154, + "sidechain_PHE": 121, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4148, + "next": 3172, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4146, + "prev": 3170, "terminal_flag": false, "phi": -140.804618378041, "chainID": "B", @@ -315797,7 +244157,7 @@ } }, { - "pk": 4148, + "pk": 3172, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -315813,17 +244173,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8437608445591, - "sidechain_PHE": 155, + "sidechain_PHE": 122, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4149, + "next": 3173, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4147, + "prev": 3171, "terminal_flag": false, "phi": -107.932671863276, "chainID": "B", @@ -315858,7 +244218,7 @@ } }, { - "pk": 4149, + "pk": 3173, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -315880,11 +244240,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4150, + "next": 3174, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4148, + "prev": 3172, "terminal_flag": false, "phi": -141.913386865094, "chainID": "B", @@ -315902,7 +244262,7 @@ "L3": 1.52067410278229, "a7": 122.759607445839, "L1": 1.32693185843999, - "sidechain_ARG": 211, + "sidechain_ARG": 170, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -315919,7 +244279,7 @@ } }, { - "pk": 4150, + "pk": 3174, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -315941,11 +244301,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4151, - "sidechain_SER": 218, + "next": 3175, + "sidechain_SER": 172, "bm": 51.0, "xpr": false, - "prev": 4149, + "prev": 3173, "terminal_flag": false, "phi": -118.251094648225, "chainID": "B", @@ -315980,7 +244340,7 @@ } }, { - "pk": 4151, + "pk": 3175, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -316002,11 +244362,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4152, + "next": 3176, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4150, + "prev": 3174, "terminal_flag": false, "phi": -107.289537101786, "chainID": "B", @@ -316025,7 +244385,7 @@ "a7": 122.236027743845, "L1": 1.33201515033693, "sidechain_ARG": null, - "sidechain_TYR": 131, + "sidechain_TYR": 88, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -316041,7 +244401,7 @@ } }, { - "pk": 4152, + "pk": 3176, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -316060,14 +244420,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 114, + "sidechain_MET": 87, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4153, + "next": 3177, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4151, + "prev": 3175, "terminal_flag": false, "phi": -133.501726218833, "chainID": "B", @@ -316102,14 +244462,14 @@ } }, { - "pk": 4153, + "pk": 3177, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 257, + "sidechain_ASP": 204, "a6": 116.42435128871, "psi": 159.303809589829, "oldID": "861", @@ -316124,11 +244484,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4154, + "next": 3178, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4152, + "prev": 3176, "terminal_flag": false, "phi": -153.359736700498, "chainID": "B", @@ -316163,7 +244523,7 @@ } }, { - "pk": 4154, + "pk": 3178, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -316185,15 +244545,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4155, + "next": 3179, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 4153, + "prev": 3177, "terminal_flag": false, "phi": -131.915115124687, "chainID": "B", - "sidechain_GLN": 162, + "sidechain_GLN": 135, "ome": 179.154129022278, "chi2": 155.872939021845, "chi3": -64.413648128291, @@ -316224,7 +244584,7 @@ } }, { - "pk": 4155, + "pk": 3179, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -316246,11 +244606,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4156, + "next": 3180, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 4154, + "prev": 3178, "terminal_flag": false, "phi": -138.381909300466, "chainID": "B", @@ -316270,7 +244630,7 @@ "L1": 1.33062444622915, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 300, + "sidechain_GLU": 242, "omep": null, "ss": "-", "a3": 110.072897707598, @@ -316285,7 +244645,7 @@ } }, { - "pk": 4156, + "pk": 3180, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -316302,16 +244662,16 @@ "protein": "1TWF", "zeta": 35.5591704281172, "sidechain_PHE": null, - "sidechain_LYS": 268, + "sidechain_LYS": 189, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4157, + "next": 3181, "sidechain_SER": null, "bm": 132.0, "xpr": false, - "prev": 4155, + "prev": 3179, "terminal_flag": false, "phi": -45.3145692348513, "chainID": "B", @@ -316346,7 +244706,7 @@ } }, { - "pk": 4157, + "pk": 3181, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -316363,16 +244723,16 @@ "protein": "1TWF", "zeta": 34.5673413309817, "sidechain_PHE": null, - "sidechain_LYS": 269, + "sidechain_LYS": 190, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4158, + "next": 3182, "sidechain_SER": null, "bm": 143.0, "xpr": false, - "prev": 4156, + "prev": 3180, "terminal_flag": false, "phi": -124.565018079584, "chainID": "B", @@ -316407,7 +244767,7 @@ } }, { - "pk": 4158, + "pk": 3182, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -316429,11 +244789,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4159, + "next": 3183, "sidechain_SER": null, "bm": 150.0, "xpr": false, - "prev": 4157, + "prev": 3181, "terminal_flag": false, "phi": -76.6675014848097, "chainID": "B", @@ -316452,7 +244812,7 @@ "a7": 123.307057352247, "L1": 1.33144230028948, "sidechain_ARG": null, - "sidechain_TYR": 132, + "sidechain_TYR": 89, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -316468,7 +244828,7 @@ } }, { - "pk": 4159, + "pk": 3183, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -316490,11 +244850,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4160, + "next": 3184, "sidechain_SER": null, "bm": 152.0, "xpr": false, - "prev": 4158, + "prev": 3182, "terminal_flag": false, "phi": -120.499393249427, "chainID": "B", @@ -316529,7 +244889,7 @@ } }, { - "pk": 4160, + "pk": 3184, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -316548,14 +244908,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 115, + "sidechain_MET": 88, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4161, + "next": 3185, "sidechain_SER": null, "bm": 152.0, "xpr": false, - "prev": 4159, + "prev": 3183, "terminal_flag": false, "phi": -59.3301638052767, "chainID": "B", @@ -316590,7 +244950,7 @@ } }, { - "pk": 4161, + "pk": 3185, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -316612,11 +244972,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4162, - "sidechain_SER": 219, + "next": 3186, + "sidechain_SER": 173, "bm": 150.0, "xpr": false, - "prev": 4160, + "prev": 3184, "terminal_flag": false, "phi": 50.8120631287357, "chainID": "B", @@ -316651,7 +245011,7 @@ } }, { - "pk": 4162, + "pk": 3186, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -316664,7 +245024,7 @@ "oldID": "870", "bg": 146.67, "sidechain_CYS": null, - "sidechain_ILE": 262, + "sidechain_ILE": 210, "protein": "1TWF", "zeta": 34.4581829655789, "sidechain_PHE": null, @@ -316673,11 +245033,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4163, + "next": 3187, "sidechain_SER": null, "bm": 146.0, "xpr": false, - "prev": 4161, + "prev": 3185, "terminal_flag": false, "phi": -117.366075084142, "chainID": "B", @@ -316712,7 +245072,7 @@ } }, { - "pk": 4163, + "pk": 3187, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -316732,13 +245092,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 232, + "sidechain_THR": 171, "sidechain_TRP": null, - "next": 4164, + "next": 3188, "sidechain_SER": null, "bm": 139.0, "xpr": false, - "prev": 4162, + "prev": 3186, "terminal_flag": false, "phi": -97.3945927941473, "chainID": "B", @@ -316773,7 +245133,7 @@ } }, { - "pk": 4164, + "pk": 3188, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -316795,11 +245155,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4165, + "next": 3189, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 4163, + "prev": 3187, "terminal_flag": false, "phi": -128.284479936717, "chainID": "B", @@ -316819,7 +245179,7 @@ "L1": 1.32559865301729, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 301, + "sidechain_GLU": 243, "omep": null, "ss": "-", "a3": 105.713274676656, @@ -316834,7 +245194,7 @@ } }, { - "pk": 4165, + "pk": 3189, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -316854,13 +245214,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 233, + "sidechain_THR": 172, "sidechain_TRP": null, - "next": 4166, + "next": 3190, "sidechain_SER": null, "bm": 129.0, "xpr": false, - "prev": 4164, + "prev": 3188, "terminal_flag": false, "phi": -133.37526783493, "chainID": "B", @@ -316895,7 +245255,7 @@ } }, { - "pk": 4166, + "pk": 3190, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -316911,17 +245271,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.0621362019132, - "sidechain_PHE": 156, + "sidechain_PHE": 123, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4167, + "next": 3191, "sidechain_SER": null, "bm": 127.0, "xpr": false, - "prev": 4165, + "prev": 3189, "terminal_flag": false, "phi": -73.4031956838631, "chainID": "B", @@ -316956,7 +245316,7 @@ } }, { - "pk": 4167, + "pk": 3191, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -316978,11 +245338,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4168, + "next": 3192, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 4166, + "prev": 3190, "terminal_flag": false, "phi": -170.278909192415, "chainID": "B", @@ -317002,7 +245362,7 @@ "L1": 1.32952579011157, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 302, + "sidechain_GLU": 244, "omep": null, "ss": "S", "a3": 111.623383202135, @@ -317017,7 +245377,7 @@ } }, { - "pk": 4168, + "pk": 3192, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -317034,16 +245394,16 @@ "protein": "1TWF", "zeta": 34.8782136227057, "sidechain_PHE": null, - "sidechain_LYS": 270, + "sidechain_LYS": 191, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4169, + "next": 3193, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 4167, + "prev": 3191, "terminal_flag": false, "phi": -91.1681147873355, "chainID": "B", @@ -317078,11 +245438,11 @@ } }, { - "pk": 4169, + "pk": 3193, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 211, + "sidechain_PRO": 155, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -317100,11 +245460,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4170, + "next": 3194, "sidechain_SER": null, "bm": 137.0, "xpr": false, - "prev": 4168, + "prev": 3192, "terminal_flag": false, "phi": -87.1010910878811, "chainID": "B", @@ -317139,7 +245499,7 @@ } }, { - "pk": 4170, + "pk": 3194, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -317161,15 +245521,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4171, + "next": 3195, "sidechain_SER": null, "bm": 141.0, "xpr": false, - "prev": 4169, + "prev": 3193, "terminal_flag": false, "phi": -140.631571635393, "chainID": "B", - "sidechain_GLN": 163, + "sidechain_GLN": 136, "ome": 177.901068311153, "chi2": 171.823645959877, "chi3": -55.3816054420481, @@ -317200,7 +245560,7 @@ } }, { - "pk": 4171, + "pk": 3195, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -317222,11 +245582,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4172, + "next": 3196, "sidechain_SER": null, "bm": 145.0, "xpr": false, - "prev": 4170, + "prev": 3194, "terminal_flag": false, "phi": 63.7531614518467, "chainID": "B", @@ -317244,7 +245604,7 @@ "L3": 1.52840087164932, "a7": 123.565770175191, "L1": 1.33015946644089, - "sidechain_ARG": 212, + "sidechain_ARG": 171, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -317261,7 +245621,7 @@ } }, { - "pk": 4172, + "pk": 3196, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -317281,13 +245641,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 234, + "sidechain_THR": 173, "sidechain_TRP": null, - "next": 4173, + "next": 3197, "sidechain_SER": null, "bm": 147.0, "xpr": false, - "prev": 4171, + "prev": 3195, "terminal_flag": false, "phi": -163.708659437988, "chainID": "B", @@ -317322,12 +245682,12 @@ } }, { - "pk": 4173, + "pk": 3197, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 175, + "sidechain_ASN": 126, "chain": "1TWFB", "sidechain_ASP": null, "a6": 117.12339406794, @@ -317344,11 +245704,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4174, + "next": 3198, "sidechain_SER": null, "bm": 148.0, "xpr": false, - "prev": 4172, + "prev": 3196, "terminal_flag": false, "phi": 61.9546390195655, "chainID": "B", @@ -317383,7 +245743,7 @@ } }, { - "pk": 4174, + "pk": 3198, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -317403,13 +245763,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 235, + "sidechain_THR": 174, "sidechain_TRP": null, - "next": 4175, + "next": 3199, "sidechain_SER": null, "bm": 148.0, "xpr": false, - "prev": 4173, + "prev": 3197, "terminal_flag": false, "phi": -126.964915664792, "chainID": "B", @@ -317444,7 +245804,7 @@ } }, { - "pk": 4175, + "pk": 3199, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -317466,11 +245826,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4176, + "next": 3200, "sidechain_SER": null, "bm": 145.0, "xpr": false, - "prev": 4174, + "prev": 3198, "terminal_flag": false, "phi": 61.0216141150332, "chainID": "B", @@ -317497,7 +245857,7 @@ "bs": 147.0, "a2": 109.987588029542, "a5": 120.303848225597, - "sidechain_LEU": 351, + "sidechain_LEU": 291, "chainIndex": 782, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -317505,7 +245865,7 @@ } }, { - "pk": 4176, + "pk": 3200, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -317527,11 +245887,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4177, + "next": 3201, "sidechain_SER": null, "bm": 139.0, "xpr": false, - "prev": 4175, + "prev": 3199, "terminal_flag": false, "phi": -85.0234188355312, "chainID": "B", @@ -317549,7 +245909,7 @@ "L3": 1.53206678366485, "a7": 123.22710513449, "L1": 1.33035546374988, - "sidechain_ARG": 213, + "sidechain_ARG": 172, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -317566,7 +245926,7 @@ } }, { - "pk": 4177, + "pk": 3201, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -317585,14 +245945,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 116, + "sidechain_MET": 89, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4178, + "next": 3202, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 4176, + "prev": 3200, "terminal_flag": false, "phi": -141.998323107403, "chainID": "B", @@ -317627,7 +245987,7 @@ } }, { - "pk": 4178, + "pk": 3202, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -317644,16 +246004,16 @@ "protein": "1TWF", "zeta": 33.5183212105402, "sidechain_PHE": null, - "sidechain_LYS": 271, + "sidechain_LYS": 192, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4179, + "next": 3203, "sidechain_SER": null, "bm": 123.0, "xpr": false, - "prev": 4177, + "prev": 3201, "terminal_flag": false, "phi": -132.151678947178, "chainID": "B", @@ -317688,7 +246048,7 @@ } }, { - "pk": 4179, + "pk": 3203, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -317710,11 +246070,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4180, + "next": 3204, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 4178, + "prev": 3202, "terminal_flag": false, "phi": -61.9508530996117, "chainID": "B", @@ -317743,13 +246103,13 @@ "a5": 120.308522923274, "sidechain_LEU": null, "chainIndex": 786, - "sidechain_HIS": 111, + "sidechain_HIS": 89, "h_bond_energy": 0.0, "a4": 109.155330493818 } }, { - "pk": 4180, + "pk": 3204, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -317771,11 +246131,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4181, + "next": 3205, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 4179, + "prev": 3203, "terminal_flag": false, "phi": -101.83314931138, "chainID": "B", @@ -317810,7 +246170,7 @@ } }, { - "pk": 4181, + "pk": 3205, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -317830,13 +246190,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 236, + "sidechain_THR": 175, "sidechain_TRP": null, - "next": 4182, + "next": 3206, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 4180, + "prev": 3204, "terminal_flag": false, "phi": -140.041126912682, "chainID": "B", @@ -317871,7 +246231,7 @@ } }, { - "pk": 4182, + "pk": 3206, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -317893,11 +246253,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4183, + "next": 3207, "sidechain_SER": null, "bm": 91.0, "xpr": false, - "prev": 4181, + "prev": 3205, "terminal_flag": false, "phi": -76.6935128060786, "chainID": "B", @@ -317916,7 +246276,7 @@ "a7": 122.453878981543, "L1": 1.32608752138789, "sidechain_ARG": null, - "sidechain_TYR": 133, + "sidechain_TYR": 90, "sidechain_GLU": null, "omep": null, "ss": "G", @@ -317932,14 +246292,14 @@ } }, { - "pk": 4183, + "pk": 3207, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 258, + "sidechain_ASP": 205, "a6": 117.631508519279, "psi": 3.04291621639152, "oldID": "891", @@ -317954,11 +246314,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4184, + "next": 3208, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4182, + "prev": 3206, "terminal_flag": false, "phi": -69.3262131902029, "chainID": "B", @@ -317993,7 +246353,7 @@ } }, { - "pk": 4184, + "pk": 3208, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -318010,16 +246370,16 @@ "protein": "1TWF", "zeta": 33.9891680869599, "sidechain_PHE": null, - "sidechain_LYS": 272, + "sidechain_LYS": 193, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4185, + "next": 3209, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 4183, + "prev": 3207, "terminal_flag": false, "phi": -115.237273500365, "chainID": "B", @@ -318054,7 +246414,7 @@ } }, { - "pk": 4185, + "pk": 3209, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -318076,11 +246436,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4186, + "next": 3210, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 4184, + "prev": 3208, "terminal_flag": false, "phi": -79.0142853447433, "chainID": "B", @@ -318107,7 +246467,7 @@ "bs": 86.0, "a2": 110.127326721852, "a5": 120.53654673718, - "sidechain_LEU": 352, + "sidechain_LEU": 292, "chainIndex": 792, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -318115,14 +246475,14 @@ } }, { - "pk": 4186, + "pk": 3210, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 259, + "sidechain_ASP": 206, "a6": 117.572856182721, "psi": 174.465975843051, "oldID": "894", @@ -318137,11 +246497,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4187, + "next": 3211, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4185, + "prev": 3209, "terminal_flag": false, "phi": -87.2127345956439, "chainID": "B", @@ -318176,14 +246536,14 @@ } }, { - "pk": 4187, + "pk": 3211, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 260, + "sidechain_ASP": 207, "a6": 117.259122090561, "psi": -25.3841042009095, "oldID": "895", @@ -318198,11 +246558,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4188, + "next": 3212, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4186, + "prev": 3210, "terminal_flag": false, "phi": -57.0977189124156, "chainID": "B", @@ -318237,14 +246597,14 @@ } }, { - "pk": 4188, + "pk": 3212, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 261, + "sidechain_ASP": 208, "a6": 115.880084774157, "psi": 8.5875745657678, "oldID": "896", @@ -318259,11 +246619,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4189, + "next": 3213, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 4187, + "prev": 3211, "terminal_flag": false, "phi": -77.9052820431092, "chainID": "B", @@ -318298,7 +246658,7 @@ } }, { - "pk": 4189, + "pk": 3213, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -318320,11 +246680,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4190, + "next": 3214, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 4188, + "prev": 3212, "terminal_flag": false, "phi": 65.1265352707689, "chainID": "B", @@ -318359,7 +246719,7 @@ } }, { - "pk": 4190, + "pk": 3214, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -318381,11 +246741,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4191, + "next": 3215, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4189, + "prev": 3213, "terminal_flag": false, "phi": -151.915977743857, "chainID": "B", @@ -318412,7 +246772,7 @@ "bs": 66.0, "a2": 109.580118916962, "a5": 120.748994879283, - "sidechain_LEU": 353, + "sidechain_LEU": 293, "chainIndex": 797, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -318420,7 +246780,7 @@ } }, { - "pk": 4191, + "pk": 3215, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -318433,7 +246793,7 @@ "oldID": "899", "bg": 65.71, "sidechain_CYS": null, - "sidechain_ILE": 263, + "sidechain_ILE": 211, "protein": "1TWF", "zeta": 35.678896191111, "sidechain_PHE": null, @@ -318442,11 +246802,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4192, + "next": 3216, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 4190, + "prev": 3214, "terminal_flag": false, "phi": -70.3574882198555, "chainID": "B", @@ -318481,7 +246841,7 @@ } }, { - "pk": 4192, + "pk": 3216, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -318503,11 +246863,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4193, + "next": 3217, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4191, + "prev": 3215, "terminal_flag": false, "phi": -109.673875938264, "chainID": "B", @@ -318542,11 +246902,11 @@ } }, { - "pk": 4193, + "pk": 3217, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 212, + "sidechain_PRO": 156, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -318564,11 +246924,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4194, + "next": 3218, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 4192, + "prev": 3216, "terminal_flag": false, "phi": -45.2277638882573, "chainID": "B", @@ -318603,7 +246963,7 @@ } }, { - "pk": 4194, + "pk": 3218, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -318625,11 +246985,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4195, + "next": 3219, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 4193, + "prev": 3217, "terminal_flag": false, "phi": 101.656411375017, "chainID": "B", @@ -318664,7 +247024,7 @@ } }, { - "pk": 4195, + "pk": 3219, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -318682,15 +247042,15 @@ "zeta": 34.7091225069068, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 281, + "sidechain_VAL": 229, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4196, + "next": 3220, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4194, + "prev": 3218, "terminal_flag": false, "phi": -67.8347716935165, "chainID": "B", @@ -318725,7 +247085,7 @@ } }, { - "pk": 4196, + "pk": 3220, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -318747,11 +247107,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4197, + "next": 3221, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4195, + "prev": 3219, "terminal_flag": false, "phi": -87.8069415472364, "chainID": "B", @@ -318769,7 +247129,7 @@ "L3": 1.52893079414643, "a7": 122.402050259886, "L1": 1.32461207204675, - "sidechain_ARG": 214, + "sidechain_ARG": 173, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -318786,7 +247146,7 @@ } }, { - "pk": 4197, + "pk": 3221, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -318804,15 +247164,15 @@ "zeta": 34.781406033482, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 282, + "sidechain_VAL": 230, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4198, + "next": 3222, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4196, + "prev": 3220, "terminal_flag": false, "phi": -119.721415962371, "chainID": "B", @@ -318847,7 +247207,7 @@ } }, { - "pk": 4198, + "pk": 3222, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -318869,11 +247229,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4199, - "sidechain_SER": 220, + "next": 3223, + "sidechain_SER": 174, "bm": 67.0, "xpr": false, - "prev": 4197, + "prev": 3221, "terminal_flag": false, "phi": -153.988328213099, "chainID": "B", @@ -318908,7 +247268,7 @@ } }, { - "pk": 4199, + "pk": 3223, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -318930,11 +247290,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4200, + "next": 3224, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4198, + "prev": 3222, "terminal_flag": false, "phi": 33.1879526221682, "chainID": "B", @@ -318969,7 +247329,7 @@ } }, { - "pk": 4200, + "pk": 3224, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -318991,11 +247351,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4201, + "next": 3225, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4199, + "prev": 3223, "terminal_flag": false, "phi": -118.589239288251, "chainID": "B", @@ -319015,7 +247375,7 @@ "L1": 1.32960701890051, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 303, + "sidechain_GLU": 245, "omep": null, "ss": "T", "a3": 110.327625238506, @@ -319030,14 +247390,14 @@ } }, { - "pk": 4201, + "pk": 3225, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 262, + "sidechain_ASP": 209, "a6": 115.897363490128, "psi": 153.378422871286, "oldID": "909", @@ -319052,11 +247412,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4202, + "next": 3226, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 4200, + "prev": 3224, "terminal_flag": false, "phi": -48.1393964095046, "chainID": "B", @@ -319091,7 +247451,7 @@ } }, { - "pk": 4202, + "pk": 3226, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -319109,15 +247469,15 @@ "zeta": 35.1465676225004, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 283, + "sidechain_VAL": 231, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4203, + "next": 3227, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4201, + "prev": 3225, "terminal_flag": false, "phi": -89.2028041593452, "chainID": "B", @@ -319152,7 +247512,7 @@ } }, { - "pk": 4203, + "pk": 3227, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -319165,7 +247525,7 @@ "oldID": "911", "bg": 76.22, "sidechain_CYS": null, - "sidechain_ILE": 264, + "sidechain_ILE": 212, "protein": "1TWF", "zeta": 35.6150767645031, "sidechain_PHE": null, @@ -319174,11 +247534,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4204, + "next": 3228, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4202, + "prev": 3226, "terminal_flag": false, "phi": -90.3762525939637, "chainID": "B", @@ -319213,7 +247573,7 @@ } }, { - "pk": 4204, + "pk": 3228, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -319226,7 +247586,7 @@ "oldID": "912", "bg": 77.04, "sidechain_CYS": null, - "sidechain_ILE": 265, + "sidechain_ILE": 213, "protein": "1TWF", "zeta": 35.6253844114823, "sidechain_PHE": null, @@ -319235,11 +247595,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4205, + "next": 3229, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 4203, + "prev": 3227, "terminal_flag": false, "phi": -130.405442413309, "chainID": "B", @@ -319274,7 +247634,7 @@ } }, { - "pk": 4205, + "pk": 3229, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -319296,11 +247656,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4206, + "next": 3230, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 4204, + "prev": 3228, "terminal_flag": false, "phi": -81.9982741293397, "chainID": "B", @@ -319335,7 +247695,7 @@ } }, { - "pk": 4206, + "pk": 3230, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -319352,16 +247712,16 @@ "protein": "1TWF", "zeta": 34.9545954597452, "sidechain_PHE": null, - "sidechain_LYS": 273, + "sidechain_LYS": 194, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4207, + "next": 3231, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 4205, + "prev": 3229, "terminal_flag": false, "phi": -139.699379398235, "chainID": "B", @@ -319396,7 +247756,7 @@ } }, { - "pk": 4207, + "pk": 3231, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -319416,13 +247776,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 237, + "sidechain_THR": 176, "sidechain_TRP": null, - "next": 4208, + "next": 3232, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 4206, + "prev": 3230, "terminal_flag": false, "phi": -122.129873584685, "chainID": "B", @@ -319457,7 +247817,7 @@ } }, { - "pk": 4208, + "pk": 3232, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -319477,13 +247837,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 238, + "sidechain_THR": 177, "sidechain_TRP": null, - "next": 4209, + "next": 3233, "sidechain_SER": null, "bm": 109.0, "xpr": false, - "prev": 4207, + "prev": 3231, "terminal_flag": false, "phi": -154.455741853793, "chainID": "B", @@ -319518,11 +247878,11 @@ } }, { - "pk": 4209, + "pk": 3233, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 213, + "sidechain_PRO": 157, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -319540,11 +247900,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4210, + "next": 3234, "sidechain_SER": null, "bm": 118.0, "xpr": false, - "prev": 4208, + "prev": 3232, "terminal_flag": false, "phi": -88.9809642372694, "chainID": "B", @@ -319579,7 +247939,7 @@ } }, { - "pk": 4210, + "pk": 3234, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -319592,7 +247952,7 @@ "oldID": "918", "bg": 125.82, "sidechain_CYS": null, - "sidechain_ILE": 266, + "sidechain_ILE": 214, "protein": "1TWF", "zeta": 34.7883580083097, "sidechain_PHE": null, @@ -319601,11 +247961,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4211, + "next": 3235, "sidechain_SER": null, "bm": 125.0, "xpr": false, - "prev": 4209, + "prev": 3233, "terminal_flag": false, "phi": -99.4701042926973, "chainID": "B", @@ -319640,7 +248000,7 @@ } }, { - "pk": 4211, + "pk": 3235, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -319663,10 +248023,10 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": null, - "sidechain_SER": 221, + "sidechain_SER": 175, "bm": 129.0, "xpr": false, - "prev": 4210, + "prev": 3234, "terminal_flag": false, "phi": -118.877392419791, "chainID": "B", @@ -319701,7 +248061,7 @@ } }, { - "pk": 4212, + "pk": 3236, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -319723,8 +248083,8 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4213, - "sidechain_SER": 222, + "next": 3237, + "sidechain_SER": 176, "bm": 120.0, "xpr": false, "prev": null, @@ -319762,7 +248122,7 @@ } }, { - "pk": 4213, + "pk": 3237, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -319779,16 +248139,16 @@ "protein": "1TWF", "zeta": 33.9131454607631, "sidechain_PHE": null, - "sidechain_LYS": 274, + "sidechain_LYS": 195, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4214, + "next": 3238, "sidechain_SER": null, "bm": 120.0, "xpr": false, - "prev": 4212, + "prev": 3236, "terminal_flag": false, "phi": -116.405910177318, "chainID": "B", @@ -319823,7 +248183,7 @@ } }, { - "pk": 4214, + "pk": 3238, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -319845,11 +248205,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4215, + "next": 3239, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 4213, + "prev": 3237, "terminal_flag": false, "phi": -122.307430946235, "chainID": "B", @@ -319867,7 +248227,7 @@ "L3": 1.52956627907576, "a7": 123.048101190738, "L1": 1.33077098973731, - "sidechain_ARG": 215, + "sidechain_ARG": 174, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -319884,14 +248244,14 @@ } }, { - "pk": 4215, + "pk": 3239, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 263, + "sidechain_ASP": 210, "a6": 115.017148935183, "psi": 130.621369783751, "oldID": "936", @@ -319906,11 +248266,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4216, + "next": 3240, "sidechain_SER": null, "bm": 112.0, "xpr": false, - "prev": 4214, + "prev": 3238, "terminal_flag": false, "phi": -56.4118654211478, "chainID": "B", @@ -319945,7 +248305,7 @@ } }, { - "pk": 4216, + "pk": 3240, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -319967,11 +248327,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4217, + "next": 3241, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 4215, + "prev": 3239, "terminal_flag": false, "phi": -143.402635378608, "chainID": "B", @@ -320006,7 +248366,7 @@ } }, { - "pk": 4217, + "pk": 3241, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -320028,11 +248388,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4218, - "sidechain_SER": 223, + "next": 3242, + "sidechain_SER": 177, "bm": 98.0, "xpr": false, - "prev": 4216, + "prev": 3240, "terminal_flag": false, "phi": -106.454185677134, "chainID": "B", @@ -320067,7 +248427,7 @@ } }, { - "pk": 4218, + "pk": 3242, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -320087,13 +248447,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 239, + "sidechain_THR": 178, "sidechain_TRP": null, - "next": 4219, + "next": 3243, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 4217, + "prev": 3241, "terminal_flag": false, "phi": -93.7876490864924, "chainID": "B", @@ -320128,11 +248488,11 @@ } }, { - "pk": 4219, + "pk": 3243, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 214, + "sidechain_PRO": 158, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -320150,11 +248510,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4220, + "next": 3244, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 4218, + "prev": 3242, "terminal_flag": false, "phi": -88.1949993431687, "chainID": "B", @@ -320189,7 +248549,7 @@ } }, { - "pk": 4220, + "pk": 3244, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -320211,11 +248571,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4221, + "next": 3245, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 4219, + "prev": 3243, "terminal_flag": false, "phi": -65.1524370946224, "chainID": "B", @@ -320242,7 +248602,7 @@ "bs": 82.0, "a2": 110.30901609317, "a5": 120.452772837868, - "sidechain_LEU": 354, + "sidechain_LEU": 294, "chainIndex": 827, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -320250,7 +248610,7 @@ } }, { - "pk": 4221, + "pk": 3245, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -320272,11 +248632,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4222, + "next": 3246, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 4220, + "prev": 3244, "terminal_flag": false, "phi": -55.5841281504881, "chainID": "B", @@ -320294,7 +248654,7 @@ "L3": 1.52635895473401, "a7": 123.006659284914, "L1": 1.33008450060436, - "sidechain_ARG": 216, + "sidechain_ARG": 175, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -320311,7 +248671,7 @@ } }, { - "pk": 4222, + "pk": 3246, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -320333,11 +248693,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4223, - "sidechain_SER": 224, + "next": 3247, + "sidechain_SER": 178, "bm": 87.0, "xpr": false, - "prev": 4221, + "prev": 3245, "terminal_flag": false, "phi": -59.5877836558751, "chainID": "B", @@ -320372,7 +248732,7 @@ } }, { - "pk": 4223, + "pk": 3247, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -320392,13 +248752,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 240, + "sidechain_THR": 179, "sidechain_TRP": null, - "next": 4224, + "next": 3248, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 4222, + "prev": 3246, "terminal_flag": false, "phi": -76.0901737081803, "chainID": "B", @@ -320433,7 +248793,7 @@ } }, { - "pk": 4224, + "pk": 3248, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -320455,11 +248815,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4225, + "next": 3249, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 4223, + "prev": 3247, "terminal_flag": false, "phi": -120.194243943789, "chainID": "B", @@ -320479,7 +248839,7 @@ "L1": 1.328220481127, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 304, + "sidechain_GLU": 246, "omep": null, "ss": "-", "a3": 112.118921695017, @@ -320494,12 +248854,12 @@ } }, { - "pk": 4225, + "pk": 3249, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 176, + "sidechain_ASN": 127, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.79830529743, @@ -320516,11 +248876,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4226, + "next": 3250, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4224, + "prev": 3248, "terminal_flag": false, "phi": -171.606380784232, "chainID": "B", @@ -320555,7 +248915,7 @@ } }, { - "pk": 4226, + "pk": 3250, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -320577,11 +248937,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4227, + "next": 3251, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4225, + "prev": 3249, "terminal_flag": false, "phi": -152.893427029985, "chainID": "B", @@ -320616,7 +248976,7 @@ } }, { - "pk": 4227, + "pk": 3251, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -320629,7 +248989,7 @@ "oldID": "948", "bg": 51.55, "sidechain_CYS": null, - "sidechain_ILE": 267, + "sidechain_ILE": 215, "protein": "1TWF", "zeta": 35.6505944482917, "sidechain_PHE": null, @@ -320638,11 +248998,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4228, + "next": 3252, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4226, + "prev": 3250, "terminal_flag": false, "phi": -138.139253164738, "chainID": "B", @@ -320677,7 +249037,7 @@ } }, { - "pk": 4228, + "pk": 3252, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -320695,15 +249055,15 @@ "zeta": 33.9669097970217, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 284, + "sidechain_VAL": 232, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4229, + "next": 3253, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4227, + "prev": 3251, "terminal_flag": false, "phi": -62.5927380455496, "chainID": "B", @@ -320738,14 +249098,14 @@ } }, { - "pk": 4229, + "pk": 3253, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 264, + "sidechain_ASP": 211, "a6": 116.293122774317, "psi": -18.2985694037493, "oldID": "950", @@ -320760,11 +249120,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4230, + "next": 3254, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4228, + "prev": 3252, "terminal_flag": false, "phi": -95.7735642720181, "chainID": "B", @@ -320799,7 +249159,7 @@ } }, { - "pk": 4230, + "pk": 3254, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -320821,15 +249181,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4231, + "next": 3255, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4229, + "prev": 3253, "terminal_flag": false, "phi": 176.52640778669, "chainID": "B", - "sidechain_GLN": 164, + "sidechain_GLN": 137, "ome": 178.395075759086, "chi2": 164.688758029564, "chi3": 69.6416726712357, @@ -320860,7 +249220,7 @@ } }, { - "pk": 4231, + "pk": 3255, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -320878,15 +249238,15 @@ "zeta": 33.9821990712811, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 285, + "sidechain_VAL": 233, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4232, + "next": 3256, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4230, + "prev": 3254, "terminal_flag": false, "phi": -133.350212603892, "chainID": "B", @@ -320921,7 +249281,7 @@ } }, { - "pk": 4232, + "pk": 3256, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -320943,11 +249303,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4233, + "next": 3257, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4231, + "prev": 3255, "terminal_flag": false, "phi": -123.801388603382, "chainID": "B", @@ -320974,7 +249334,7 @@ "bs": 49.0, "a2": 109.794095229854, "a5": 121.543786425211, - "sidechain_LEU": 355, + "sidechain_LEU": 295, "chainIndex": 839, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -320982,7 +249342,7 @@ } }, { - "pk": 4233, + "pk": 3257, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -321000,15 +249360,15 @@ "zeta": 35.0729545575007, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 286, + "sidechain_VAL": 234, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4234, + "next": 3258, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4232, + "prev": 3256, "terminal_flag": false, "phi": -120.658894762139, "chainID": "B", @@ -321043,7 +249403,7 @@ } }, { - "pk": 4234, + "pk": 3258, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -321063,13 +249423,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 241, + "sidechain_THR": 180, "sidechain_TRP": null, - "next": 4235, + "next": 3259, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4233, + "prev": 3257, "terminal_flag": false, "phi": -120.557936891959, "chainID": "B", @@ -321104,7 +249464,7 @@ } }, { - "pk": 4235, + "pk": 3259, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -321124,13 +249484,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 242, + "sidechain_THR": 181, "sidechain_TRP": null, - "next": 4236, + "next": 3260, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4234, + "prev": 3258, "terminal_flag": false, "phi": -128.646152215616, "chainID": "B", @@ -321165,12 +249525,12 @@ } }, { - "pk": 4236, + "pk": 3260, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 177, + "sidechain_ASN": 128, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.510268972539, @@ -321187,11 +249547,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4237, + "next": 3261, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 4235, + "prev": 3259, "terminal_flag": false, "phi": -77.7423581071585, "chainID": "B", @@ -321226,7 +249586,7 @@ } }, { - "pk": 4237, + "pk": 3261, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -321248,15 +249608,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4238, + "next": 3262, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 4236, + "prev": 3260, "terminal_flag": false, "phi": -70.4073555986516, "chainID": "B", - "sidechain_GLN": 165, + "sidechain_GLN": 138, "ome": 179.359422867096, "chi2": -144.650527376213, "chi3": 67.7501950089134, @@ -321287,14 +249647,14 @@ } }, { - "pk": 4238, + "pk": 3262, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 265, + "sidechain_ASP": 212, "a6": 116.166883565107, "psi": -45.4278465805947, "oldID": "959", @@ -321309,11 +249669,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4239, + "next": 3263, "sidechain_SER": null, "bm": 108.0, "xpr": false, - "prev": 4237, + "prev": 3261, "terminal_flag": false, "phi": -79.4386000075386, "chainID": "B", @@ -321348,7 +249708,7 @@ } }, { - "pk": 4239, + "pk": 3263, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -321370,11 +249730,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4240, + "next": 3264, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 4238, + "prev": 3262, "terminal_flag": false, "phi": 147.523505175524, "chainID": "B", @@ -321409,7 +249769,7 @@ } }, { - "pk": 4240, + "pk": 3264, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -321431,11 +249791,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4241, + "next": 3265, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 4239, + "prev": 3263, "terminal_flag": false, "phi": -56.3163949120089, "chainID": "B", @@ -321462,7 +249822,7 @@ "bs": 105.0, "a2": 109.963560687145, "a5": 120.717322870386, - "sidechain_LEU": 356, + "sidechain_LEU": 296, "chainIndex": 847, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -321470,7 +249830,7 @@ } }, { - "pk": 4241, + "pk": 3265, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -321487,16 +249847,16 @@ "protein": "1TWF", "zeta": 34.7177372364973, "sidechain_PHE": null, - "sidechain_LYS": 275, + "sidechain_LYS": 196, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4242, + "next": 3266, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 4240, + "prev": 3264, "terminal_flag": false, "phi": -89.6433024594985, "chainID": "B", @@ -321531,7 +249891,7 @@ } }, { - "pk": 4242, + "pk": 3266, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -321547,17 +249907,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.1903110740224, - "sidechain_PHE": 157, + "sidechain_PHE": 124, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4243, + "next": 3267, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 4241, + "prev": 3265, "terminal_flag": false, "phi": -109.158020553049, "chainID": "B", @@ -321592,7 +249952,7 @@ } }, { - "pk": 4243, + "pk": 3267, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -321610,15 +249970,15 @@ "zeta": 34.7236389874354, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 287, + "sidechain_VAL": 235, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4244, + "next": 3268, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 4242, + "prev": 3266, "terminal_flag": false, "phi": -134.719305505702, "chainID": "B", @@ -321653,7 +250013,7 @@ } }, { - "pk": 4244, + "pk": 3268, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -321670,16 +250030,16 @@ "protein": "1TWF", "zeta": 34.5045578219738, "sidechain_PHE": null, - "sidechain_LYS": 276, + "sidechain_LYS": 197, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4245, + "next": 3269, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4243, + "prev": 3267, "terminal_flag": false, "phi": -128.83693896674, "chainID": "B", @@ -321714,7 +250074,7 @@ } }, { - "pk": 4245, + "pk": 3269, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -321732,15 +250092,15 @@ "zeta": 34.3989457333271, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 288, + "sidechain_VAL": 236, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4246, + "next": 3270, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4244, + "prev": 3268, "terminal_flag": false, "phi": -110.497148229629, "chainID": "B", @@ -321775,7 +250135,7 @@ } }, { - "pk": 4246, + "pk": 3270, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -321797,11 +250157,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4247, + "next": 3271, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4245, + "prev": 3269, "terminal_flag": false, "phi": -94.0519974255392, "chainID": "B", @@ -321819,7 +250179,7 @@ "L3": 1.53431375460879, "a7": 122.954175902957, "L1": 1.32726032678976, - "sidechain_ARG": 217, + "sidechain_ARG": 176, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -321836,7 +250196,7 @@ } }, { - "pk": 4247, + "pk": 3271, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -321854,15 +250214,15 @@ "zeta": 34.7496810794729, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 289, + "sidechain_VAL": 237, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4248, + "next": 3272, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4246, + "prev": 3270, "terminal_flag": false, "phi": -108.714091720465, "chainID": "B", @@ -321897,7 +250257,7 @@ } }, { - "pk": 4248, + "pk": 3272, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -321919,11 +250279,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4249, + "next": 3273, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4247, + "prev": 3271, "terminal_flag": false, "phi": -85.8604113015661, "chainID": "B", @@ -321941,7 +250301,7 @@ "L3": 1.52851514576447, "a7": 123.214626843865, "L1": 1.32829554579794, - "sidechain_ARG": 218, + "sidechain_ARG": 177, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -321958,7 +250318,7 @@ } }, { - "pk": 4249, + "pk": 3273, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -321978,13 +250338,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 243, + "sidechain_THR": 182, "sidechain_TRP": null, - "next": 4250, + "next": 3274, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4248, + "prev": 3272, "terminal_flag": false, "phi": -160.751908596786, "chainID": "B", @@ -322019,7 +250379,7 @@ } }, { - "pk": 4250, + "pk": 3274, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -322039,13 +250399,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 244, + "sidechain_THR": 183, "sidechain_TRP": null, - "next": 4251, + "next": 3275, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4249, + "prev": 3273, "terminal_flag": false, "phi": -98.7116181430626, "chainID": "B", @@ -322080,7 +250440,7 @@ } }, { - "pk": 4251, + "pk": 3275, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -322097,16 +250457,16 @@ "protein": "1TWF", "zeta": 33.7959668431845, "sidechain_PHE": null, - "sidechain_LYS": 277, + "sidechain_LYS": 198, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4252, + "next": 3276, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4250, + "prev": 3274, "terminal_flag": false, "phi": -118.030727990194, "chainID": "B", @@ -322141,7 +250501,7 @@ } }, { - "pk": 4252, + "pk": 3276, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -322154,7 +250514,7 @@ "oldID": "973", "bg": 34.0, "sidechain_CYS": null, - "sidechain_ILE": 268, + "sidechain_ILE": 216, "protein": "1TWF", "zeta": 35.1788529549877, "sidechain_PHE": null, @@ -322163,11 +250523,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4253, + "next": 3277, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4251, + "prev": 3275, "terminal_flag": false, "phi": -89.1082967288968, "chainID": "B", @@ -322202,11 +250562,11 @@ } }, { - "pk": 4253, + "pk": 3277, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 215, + "sidechain_PRO": 159, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -322224,11 +250584,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4254, + "next": 3278, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4252, + "prev": 3276, "terminal_flag": false, "phi": -52.9211810531771, "chainID": "B", @@ -322263,7 +250623,7 @@ } }, { - "pk": 4254, + "pk": 3278, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -322285,15 +250645,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4255, + "next": 3279, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4253, + "prev": 3277, "terminal_flag": false, "phi": -132.907169138905, "chainID": "B", - "sidechain_GLN": 166, + "sidechain_GLN": 139, "ome": 179.991173880505, "chi2": 167.644025258178, "chi3": -4.36013185728565, @@ -322324,7 +250684,7 @@ } }, { - "pk": 4255, + "pk": 3279, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -322337,7 +250697,7 @@ "oldID": "976", "bg": 32.15, "sidechain_CYS": null, - "sidechain_ILE": 269, + "sidechain_ILE": 217, "protein": "1TWF", "zeta": 35.4473728380551, "sidechain_PHE": null, @@ -322346,11 +250706,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4256, + "next": 3280, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4254, + "prev": 3278, "terminal_flag": false, "phi": -77.6189347429971, "chainID": "B", @@ -322385,7 +250745,7 @@ } }, { - "pk": 4256, + "pk": 3280, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -322407,11 +250767,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4257, + "next": 3281, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4255, + "prev": 3279, "terminal_flag": false, "phi": 109.368093032138, "chainID": "B", @@ -322446,14 +250806,14 @@ } }, { - "pk": 4257, + "pk": 3281, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 266, + "sidechain_ASP": 213, "a6": 118.240200308198, "psi": 145.888315834681, "oldID": "978", @@ -322468,11 +250828,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4258, + "next": 3282, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 4256, + "prev": 3280, "terminal_flag": false, "phi": -72.2790974681213, "chainID": "B", @@ -322507,7 +250867,7 @@ } }, { - "pk": 4258, + "pk": 3282, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -322524,16 +250884,16 @@ "protein": "1TWF", "zeta": 32.9037257868858, "sidechain_PHE": null, - "sidechain_LYS": 278, + "sidechain_LYS": 199, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4259, + "next": 3283, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4257, + "prev": 3281, "terminal_flag": false, "phi": -83.9159675999029, "chainID": "B", @@ -322568,7 +250928,7 @@ } }, { - "pk": 4259, + "pk": 3283, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -322584,17 +250944,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.8502090966108, - "sidechain_PHE": 158, + "sidechain_PHE": 125, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4260, + "next": 3284, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 4258, + "prev": 3282, "terminal_flag": false, "phi": -154.492160896887, "chainID": "B", @@ -322629,7 +250989,7 @@ } }, { - "pk": 4260, + "pk": 3284, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -322651,11 +251011,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4261, + "next": 3285, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4259, + "prev": 3283, "terminal_flag": false, "phi": -163.555005396773, "chainID": "B", @@ -322690,7 +251050,7 @@ } }, { - "pk": 4261, + "pk": 3285, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -322712,11 +251072,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4262, - "sidechain_SER": 225, + "next": 3286, + "sidechain_SER": 179, "bm": 30.0, "xpr": false, - "prev": 4260, + "prev": 3284, "terminal_flag": false, "phi": -89.0879132716787, "chainID": "B", @@ -322751,7 +251111,7 @@ } }, { - "pk": 4262, + "pk": 3286, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -322773,11 +251133,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4263, + "next": 3287, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4261, + "prev": 3285, "terminal_flag": false, "phi": -93.1912518055385, "chainID": "B", @@ -322795,7 +251155,7 @@ "L3": 1.53819811126687, "a7": 123.051674553422, "L1": 1.32496895821764, - "sidechain_ARG": 219, + "sidechain_ARG": 178, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -322812,7 +251172,7 @@ } }, { - "pk": 4263, + "pk": 3287, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -322834,11 +251194,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4264, + "next": 3288, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 4262, + "prev": 3286, "terminal_flag": false, "phi": -131.774059401563, "chainID": "B", @@ -322867,13 +251227,13 @@ "a5": 121.421177985116, "sidechain_LEU": null, "chainIndex": 870, - "sidechain_HIS": 112, + "sidechain_HIS": 90, "h_bond_energy": 0.0, "a4": 111.686800059574 } }, { - "pk": 4264, + "pk": 3288, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -322895,11 +251255,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4265, + "next": 3289, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4263, + "prev": 3287, "terminal_flag": false, "phi": 73.109833977671, "chainID": "B", @@ -322934,7 +251294,7 @@ } }, { - "pk": 4265, + "pk": 3289, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -322956,15 +251316,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4266, + "next": 3290, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4264, + "prev": 3288, "terminal_flag": false, "phi": -142.222448655949, "chainID": "B", - "sidechain_GLN": 167, + "sidechain_GLN": 140, "ome": -179.900242274246, "chi2": 38.0075391563591, "chi3": 62.1593427261858, @@ -322995,7 +251355,7 @@ } }, { - "pk": 4266, + "pk": 3290, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -323012,16 +251372,16 @@ "protein": "1TWF", "zeta": 35.4994470138894, "sidechain_PHE": null, - "sidechain_LYS": 279, + "sidechain_LYS": 200, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4267, + "next": 3291, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4265, + "prev": 3289, "terminal_flag": false, "phi": -82.0002161062317, "chainID": "B", @@ -323056,7 +251416,7 @@ } }, { - "pk": 4267, + "pk": 3291, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -323078,11 +251438,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4268, + "next": 3292, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 4266, + "prev": 3290, "terminal_flag": false, "phi": 176.851601882818, "chainID": "B", @@ -323117,7 +251477,7 @@ } }, { - "pk": 4268, + "pk": 3292, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -323137,13 +251497,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 245, + "sidechain_THR": 184, "sidechain_TRP": null, - "next": 4269, + "next": 3293, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 4267, + "prev": 3291, "terminal_flag": false, "phi": -95.7230556272817, "chainID": "B", @@ -323178,7 +251538,7 @@ } }, { - "pk": 4269, + "pk": 3293, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -323191,7 +251551,7 @@ "oldID": "990", "bg": 22.21, "sidechain_CYS": null, - "sidechain_ILE": 270, + "sidechain_ILE": 218, "protein": "1TWF", "zeta": 35.3718596793602, "sidechain_PHE": null, @@ -323200,11 +251560,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4270, + "next": 3294, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 4268, + "prev": 3292, "terminal_flag": false, "phi": -67.5725565206217, "chainID": "B", @@ -323239,7 +251599,7 @@ } }, { - "pk": 4270, + "pk": 3294, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -323261,11 +251621,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4271, + "next": 3295, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4269, + "prev": 3293, "terminal_flag": false, "phi": -78.9179854370593, "chainID": "B", @@ -323300,7 +251660,7 @@ } }, { - "pk": 4271, + "pk": 3295, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -323313,7 +251673,7 @@ "oldID": "992", "bg": 24.12, "sidechain_CYS": null, - "sidechain_ILE": 271, + "sidechain_ILE": 219, "protein": "1TWF", "zeta": 35.4707407208553, "sidechain_PHE": null, @@ -323322,11 +251682,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4272, + "next": 3296, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4270, + "prev": 3294, "terminal_flag": false, "phi": -166.535056710881, "chainID": "B", @@ -323361,7 +251721,7 @@ } }, { - "pk": 4272, + "pk": 3296, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -323381,13 +251741,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 246, + "sidechain_THR": 185, "sidechain_TRP": null, - "next": 4273, + "next": 3297, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4271, + "prev": 3295, "terminal_flag": false, "phi": -124.647169856223, "chainID": "B", @@ -323422,7 +251782,7 @@ } }, { - "pk": 4273, + "pk": 3297, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -323444,11 +251804,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4274, + "next": 3298, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4272, + "prev": 3296, "terminal_flag": false, "phi": -126.898082497818, "chainID": "B", @@ -323467,7 +251827,7 @@ "a7": 122.339447219364, "L1": 1.32391692959108, "sidechain_ARG": null, - "sidechain_TYR": 134, + "sidechain_TYR": 91, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -323483,7 +251843,7 @@ } }, { - "pk": 4274, + "pk": 3298, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -323505,11 +251865,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4275, + "next": 3299, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4273, + "prev": 3297, "terminal_flag": false, "phi": -78.708721125866, "chainID": "B", @@ -323527,7 +251887,7 @@ "L3": 1.51224294403932, "a7": 123.596208811337, "L1": 1.31953457100257, - "sidechain_ARG": 220, + "sidechain_ARG": 179, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -323544,7 +251904,7 @@ } }, { - "pk": 4275, + "pk": 3299, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -323566,11 +251926,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4276, + "next": 3300, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4274, + "prev": 3298, "terminal_flag": false, "phi": -50.1510242734333, "chainID": "B", @@ -323588,7 +251948,7 @@ "L3": 1.53212776622148, "a7": 123.450260194294, "L1": 1.33036469936461, - "sidechain_ARG": 221, + "sidechain_ARG": 180, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -323605,7 +251965,7 @@ } }, { - "pk": 4276, + "pk": 3300, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -323627,11 +251987,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4277, + "next": 3301, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 4275, + "prev": 3299, "terminal_flag": false, "phi": -58.129334384865, "chainID": "B", @@ -323651,7 +252011,7 @@ "L1": 1.32662107646911, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 305, + "sidechain_GLU": 247, "omep": null, "ss": "T", "a3": 111.608414156434, @@ -323666,14 +252026,14 @@ } }, { - "pk": 4277, + "pk": 3301, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 267, + "sidechain_ASP": 214, "a6": 116.286981053618, "psi": -19.9532548031992, "oldID": "998", @@ -323688,11 +252048,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4278, + "next": 3302, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4276, + "prev": 3300, "terminal_flag": false, "phi": -75.6474795886831, "chainID": "B", @@ -323727,7 +252087,7 @@ } }, { - "pk": 4278, + "pk": 3302, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -323746,14 +252106,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 117, + "sidechain_MET": 90, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4279, + "next": 3303, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4277, + "prev": 3301, "terminal_flag": false, "phi": -69.1782262923196, "chainID": "B", @@ -323788,11 +252148,11 @@ } }, { - "pk": 4279, + "pk": 3303, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 216, + "sidechain_PRO": 160, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -323810,11 +252170,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4280, + "next": 3304, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4278, + "prev": 3302, "terminal_flag": false, "phi": -69.0648614382499, "chainID": "B", @@ -323849,7 +252209,7 @@ } }, { - "pk": 4280, + "pk": 3304, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -323865,17 +252225,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.3445154244236, - "sidechain_PHE": 159, + "sidechain_PHE": 126, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4281, + "next": 3305, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4279, + "prev": 3303, "terminal_flag": false, "phi": -135.018049988461, "chainID": "B", @@ -323910,7 +252270,7 @@ } }, { - "pk": 4281, + "pk": 3305, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -323930,13 +252290,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 247, + "sidechain_THR": 186, "sidechain_TRP": null, - "next": 4282, + "next": 3306, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4280, + "prev": 3304, "terminal_flag": false, "phi": -95.6206954231868, "chainID": "B", @@ -323971,7 +252331,7 @@ } }, { - "pk": 4282, + "pk": 3306, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -323993,11 +252353,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4283, + "next": 3307, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4281, + "prev": 3305, "terminal_flag": false, "phi": -54.6767017423332, "chainID": "B", @@ -324032,7 +252392,7 @@ } }, { - "pk": 4283, + "pk": 3307, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -324054,11 +252414,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4284, + "next": 3308, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4282, + "prev": 3306, "terminal_flag": false, "phi": -66.3416817396699, "chainID": "B", @@ -324078,7 +252438,7 @@ "L1": 1.326729101502, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 306, + "sidechain_GLU": 248, "omep": null, "ss": "T", "a3": 115.293020725101, @@ -324093,7 +252453,7 @@ } }, { - "pk": 4284, + "pk": 3308, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -324115,11 +252475,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4285, + "next": 3309, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4283, + "prev": 3307, "terminal_flag": false, "phi": 80.9594359171621, "chainID": "B", @@ -324154,7 +252514,7 @@ } }, { - "pk": 4285, + "pk": 3309, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -324167,7 +252527,7 @@ "oldID": "1006", "bg": 34.58, "sidechain_CYS": null, - "sidechain_ILE": 272, + "sidechain_ILE": 220, "protein": "1TWF", "zeta": 33.414780647884, "sidechain_PHE": null, @@ -324176,11 +252536,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4286, + "next": 3310, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4284, + "prev": 3308, "terminal_flag": false, "phi": -74.7719571787926, "chainID": "B", @@ -324215,7 +252575,7 @@ } }, { - "pk": 4286, + "pk": 3310, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -324233,15 +252593,15 @@ "zeta": 34.7439301785964, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 290, + "sidechain_VAL": 238, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4287, + "next": 3311, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4285, + "prev": 3309, "terminal_flag": false, "phi": -128.357057617901, "chainID": "B", @@ -324276,11 +252636,11 @@ } }, { - "pk": 4287, + "pk": 3311, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 217, + "sidechain_PRO": 161, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -324298,11 +252658,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4288, + "next": 3312, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4286, + "prev": 3310, "terminal_flag": false, "phi": -77.4295048335183, "chainID": "B", @@ -324337,14 +252697,14 @@ } }, { - "pk": 4288, + "pk": 3312, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 268, + "sidechain_ASP": 215, "a6": 115.747881425178, "psi": -26.0498354752497, "oldID": "1009", @@ -324359,11 +252719,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4289, + "next": 3313, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4287, + "prev": 3311, "terminal_flag": false, "phi": -88.1192142862348, "chainID": "B", @@ -324398,7 +252758,7 @@ } }, { - "pk": 4289, + "pk": 3313, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -324420,11 +252780,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4290, + "next": 3314, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4288, + "prev": 3312, "terminal_flag": false, "phi": -136.327337113392, "chainID": "B", @@ -324451,7 +252811,7 @@ "bs": 37.0, "a2": 112.476502305747, "a5": 121.662557604007, - "sidechain_LEU": 357, + "sidechain_LEU": 297, "chainIndex": 896, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -324459,7 +252819,7 @@ } }, { - "pk": 4290, + "pk": 3314, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -324472,7 +252832,7 @@ "oldID": "1011", "bg": 21.47, "sidechain_CYS": null, - "sidechain_ILE": 273, + "sidechain_ILE": 221, "protein": "1TWF", "zeta": 34.7687240803493, "sidechain_PHE": null, @@ -324481,11 +252841,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4291, + "next": 3315, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 4289, + "prev": 3313, "terminal_flag": false, "phi": -140.791262891869, "chainID": "B", @@ -324520,7 +252880,7 @@ } }, { - "pk": 4291, + "pk": 3315, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -324533,7 +252893,7 @@ "oldID": "1012", "bg": 16.76, "sidechain_CYS": null, - "sidechain_ILE": 274, + "sidechain_ILE": 222, "protein": "1TWF", "zeta": 33.9208438942895, "sidechain_PHE": null, @@ -324542,11 +252902,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4292, + "next": 3316, "sidechain_SER": null, "bm": 20.0, "xpr": false, - "prev": 4290, + "prev": 3314, "terminal_flag": false, "phi": -103.043976133718, "chainID": "B", @@ -324581,12 +252941,12 @@ } }, { - "pk": 4292, + "pk": 3316, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 178, + "sidechain_ASN": 129, "chain": "1TWFB", "sidechain_ASP": null, "a6": 117.805292679068, @@ -324603,11 +252963,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4293, + "next": 3317, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4291, + "prev": 3315, "terminal_flag": false, "phi": -85.9607816228447, "chainID": "B", @@ -324642,11 +253002,11 @@ } }, { - "pk": 4293, + "pk": 3317, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 218, + "sidechain_PRO": 162, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -324664,11 +253024,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4294, + "next": 3318, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4292, + "prev": 3316, "terminal_flag": false, "phi": -64.5862442640955, "chainID": "B", @@ -324703,7 +253063,7 @@ } }, { - "pk": 4294, + "pk": 3318, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -324725,11 +253085,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4295, + "next": 3319, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4293, + "prev": 3317, "terminal_flag": false, "phi": -69.7834448654619, "chainID": "B", @@ -324758,13 +253118,13 @@ "a5": 121.597947609925, "sidechain_LEU": null, "chainIndex": 901, - "sidechain_HIS": 113, + "sidechain_HIS": 91, "h_bond_energy": 0.0, "a4": 109.335937017946 } }, { - "pk": 4295, + "pk": 3319, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -324786,11 +253146,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4296, + "next": 3320, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4294, + "prev": 3318, "terminal_flag": false, "phi": -93.8647634708404, "chainID": "B", @@ -324825,7 +253185,7 @@ } }, { - "pk": 4296, + "pk": 3320, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -324838,7 +253198,7 @@ "oldID": "1017", "bg": 43.32, "sidechain_CYS": null, - "sidechain_ILE": 275, + "sidechain_ILE": 223, "protein": "1TWF", "zeta": 34.642690858763, "sidechain_PHE": null, @@ -324847,11 +253207,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4297, + "next": 3321, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4295, + "prev": 3319, "terminal_flag": false, "phi": -101.104100714253, "chainID": "B", @@ -324886,11 +253246,11 @@ } }, { - "pk": 4297, + "pk": 3321, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 219, + "sidechain_PRO": 163, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -324908,11 +253268,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4298, + "next": 3322, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4296, + "prev": 3320, "terminal_flag": false, "phi": -48.4722897871187, "chainID": "B", @@ -324947,7 +253307,7 @@ } }, { - "pk": 4298, + "pk": 3322, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -324969,11 +253329,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4299, - "sidechain_SER": 226, + "next": 3323, + "sidechain_SER": 180, "bm": 47.0, "xpr": false, - "prev": 4297, + "prev": 3321, "terminal_flag": false, "phi": -58.3598003638726, "chainID": "B", @@ -325008,7 +253368,7 @@ } }, { - "pk": 4299, + "pk": 3323, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -325030,11 +253390,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4300, + "next": 3324, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4298, + "prev": 3322, "terminal_flag": false, "phi": -68.7272858069412, "chainID": "B", @@ -325052,7 +253412,7 @@ "L3": 1.52765908132256, "a7": 123.095007078359, "L1": 1.32674420142942, - "sidechain_ARG": 222, + "sidechain_ARG": 181, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -325069,7 +253429,7 @@ } }, { - "pk": 4300, + "pk": 3324, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -325088,14 +253448,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 118, + "sidechain_MET": 91, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4301, + "next": 3325, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4299, + "prev": 3323, "terminal_flag": false, "phi": 50.8077066452964, "chainID": "B", @@ -325130,7 +253490,7 @@ } }, { - "pk": 4301, + "pk": 3325, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -325150,13 +253510,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 248, + "sidechain_THR": 187, "sidechain_TRP": null, - "next": 4302, + "next": 3326, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 4300, + "prev": 3324, "terminal_flag": false, "phi": -94.7462432980106, "chainID": "B", @@ -325191,7 +253551,7 @@ } }, { - "pk": 4302, + "pk": 3326, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -325209,15 +253569,15 @@ "zeta": 35.4249990018078, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 291, + "sidechain_VAL": 239, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4303, + "next": 3327, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4301, + "prev": 3325, "terminal_flag": false, "phi": -51.8603634467418, "chainID": "B", @@ -325252,7 +253612,7 @@ } }, { - "pk": 4303, + "pk": 3327, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -325274,11 +253634,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4304, + "next": 3328, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4302, + "prev": 3326, "terminal_flag": false, "phi": -49.6800018481798, "chainID": "B", @@ -325313,7 +253673,7 @@ } }, { - "pk": 4304, + "pk": 3328, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -325335,11 +253695,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4305, + "next": 3329, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4303, + "prev": 3327, "terminal_flag": false, "phi": -59.0772919408193, "chainID": "B", @@ -325368,13 +253728,13 @@ "a5": 119.806902898684, "sidechain_LEU": null, "chainIndex": 911, - "sidechain_HIS": 114, + "sidechain_HIS": 92, "h_bond_energy": 0.0, "a4": 111.420826267201 } }, { - "pk": 4305, + "pk": 3329, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -325396,11 +253756,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4306, + "next": 3330, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4304, + "prev": 3328, "terminal_flag": false, "phi": -65.9225741070489, "chainID": "B", @@ -325427,7 +253787,7 @@ "bs": 18.0, "a2": 111.786562516424, "a5": 120.754675669114, - "sidechain_LEU": 358, + "sidechain_LEU": 298, "chainIndex": 912, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -325435,7 +253795,7 @@ } }, { - "pk": 4306, + "pk": 3330, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -325448,7 +253808,7 @@ "oldID": "1027", "bg": 28.17, "sidechain_CYS": null, - "sidechain_ILE": 276, + "sidechain_ILE": 224, "protein": "1TWF", "zeta": 34.3039117812948, "sidechain_PHE": null, @@ -325457,11 +253817,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4307, + "next": 3331, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4305, + "prev": 3329, "terminal_flag": false, "phi": -75.8541642892245, "chainID": "B", @@ -325496,7 +253856,7 @@ } }, { - "pk": 4307, + "pk": 3331, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -325518,11 +253878,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4308, + "next": 3332, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4306, + "prev": 3330, "terminal_flag": false, "phi": -58.5029768908318, "chainID": "B", @@ -325542,7 +253902,7 @@ "L1": 1.32913987085164, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 307, + "sidechain_GLU": 249, "omep": null, "ss": "H", "a3": 107.258859415207, @@ -325557,7 +253917,7 @@ } }, { - "pk": 4308, + "pk": 3332, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -325569,7 +253929,7 @@ "psi": -53.5460385481873, "oldID": "1029", "bg": 24.39, - "sidechain_CYS": 76, + "sidechain_CYS": 58, "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.6858835135323, @@ -325579,11 +253939,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4309, + "next": 3333, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4307, + "prev": 3331, "terminal_flag": false, "phi": -61.068131604431, "chainID": "B", @@ -325618,7 +253978,7 @@ } }, { - "pk": 4309, + "pk": 3333, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -325640,11 +254000,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4310, + "next": 3334, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4308, + "prev": 3332, "terminal_flag": false, "phi": -56.229764166893, "chainID": "B", @@ -325671,7 +254031,7 @@ "bs": 28.0, "a2": 110.035465761189, "a5": 121.099106010769, - "sidechain_LEU": 359, + "sidechain_LEU": 299, "chainIndex": 916, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -325679,7 +254039,7 @@ } }, { - "pk": 4310, + "pk": 3334, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -325701,11 +254061,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4311, + "next": 3335, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4309, + "prev": 3333, "terminal_flag": false, "phi": -60.576559726512, "chainID": "B", @@ -325732,7 +254092,7 @@ "bs": 34.0, "a2": 110.186990315002, "a5": 120.742163328513, - "sidechain_LEU": 360, + "sidechain_LEU": 300, "chainIndex": 917, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -325740,7 +254100,7 @@ } }, { - "pk": 4311, + "pk": 3335, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -325762,11 +254122,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4312, - "sidechain_SER": 227, + "next": 3336, + "sidechain_SER": 181, "bm": 33.0, "xpr": false, - "prev": 4310, + "prev": 3334, "terminal_flag": false, "phi": -66.5630653302607, "chainID": "B", @@ -325801,7 +254161,7 @@ } }, { - "pk": 4312, + "pk": 3336, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -325818,16 +254178,16 @@ "protein": "1TWF", "zeta": 35.8082034884372, "sidechain_PHE": null, - "sidechain_LYS": 280, + "sidechain_LYS": 201, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4313, + "next": 3337, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4311, + "prev": 3335, "terminal_flag": false, "phi": -56.7496926155173, "chainID": "B", @@ -325862,7 +254222,7 @@ } }, { - "pk": 4313, + "pk": 3337, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -325880,15 +254240,15 @@ "zeta": 34.1256201318587, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 292, + "sidechain_VAL": 240, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4314, + "next": 3338, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4312, + "prev": 3336, "terminal_flag": false, "phi": -53.260166345443, "chainID": "B", @@ -325923,7 +254283,7 @@ } }, { - "pk": 4314, + "pk": 3338, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -325945,11 +254305,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4315, + "next": 3339, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4313, + "prev": 3337, "terminal_flag": false, "phi": -56.383490183877, "chainID": "B", @@ -325984,7 +254344,7 @@ } }, { - "pk": 4315, + "pk": 3339, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -326006,11 +254366,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4316, + "next": 3340, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4314, + "prev": 3338, "terminal_flag": false, "phi": -62.7104400272276, "chainID": "B", @@ -326045,7 +254405,7 @@ } }, { - "pk": 4316, + "pk": 3340, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -326067,11 +254427,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4317, + "next": 3341, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4315, + "prev": 3339, "terminal_flag": false, "phi": -73.9035083945876, "chainID": "B", @@ -326098,7 +254458,7 @@ "bs": 39.0, "a2": 110.380519204946, "a5": 120.490753821068, - "sidechain_LEU": 361, + "sidechain_LEU": 301, "chainIndex": 923, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -326106,7 +254466,7 @@ } }, { - "pk": 4317, + "pk": 3341, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -326128,11 +254488,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4318, - "sidechain_SER": 228, + "next": 3342, + "sidechain_SER": 182, "bm": 44.0, "xpr": false, - "prev": 4316, + "prev": 3340, "terminal_flag": false, "phi": -81.9228889381908, "chainID": "B", @@ -326167,7 +254527,7 @@ } }, { - "pk": 4318, + "pk": 3342, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -326189,11 +254549,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4319, + "next": 3343, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4317, + "prev": 3341, "terminal_flag": false, "phi": 75.9225630505907, "chainID": "B", @@ -326228,12 +254588,12 @@ } }, { - "pk": 4319, + "pk": 3343, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 179, + "sidechain_ASN": 130, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.358788611899, @@ -326250,11 +254610,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4320, + "next": 3344, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4318, + "prev": 3342, "terminal_flag": false, "phi": -98.4093721586466, "chainID": "B", @@ -326289,7 +254649,7 @@ } }, { - "pk": 4320, + "pk": 3344, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -326311,11 +254671,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4321, + "next": 3345, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4319, + "prev": 3343, "terminal_flag": false, "phi": -74.6504568122322, "chainID": "B", @@ -326335,7 +254695,7 @@ "L1": 1.3295119955243, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 308, + "sidechain_GLU": 250, "omep": null, "ss": "-", "a3": 107.495333300626, @@ -326350,7 +254710,7 @@ } }, { - "pk": 4321, + "pk": 3345, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -326372,11 +254732,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4322, + "next": 3346, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4320, + "prev": 3344, "terminal_flag": false, "phi": -91.1964559655777, "chainID": "B", @@ -326411,14 +254771,14 @@ } }, { - "pk": 4322, + "pk": 3346, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 269, + "sidechain_ASP": 216, "a6": 116.416439347749, "psi": 110.546938226921, "oldID": "1043", @@ -326433,11 +254793,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4323, + "next": 3347, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4321, + "prev": 3345, "terminal_flag": false, "phi": -70.8690359546529, "chainID": "B", @@ -326472,7 +254832,7 @@ } }, { - "pk": 4323, + "pk": 3347, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -326494,11 +254854,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4324, + "next": 3348, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4322, + "prev": 3346, "terminal_flag": false, "phi": -112.421659720191, "chainID": "B", @@ -326533,7 +254893,7 @@ } }, { - "pk": 4324, + "pk": 3348, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -326555,11 +254915,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4325, - "sidechain_SER": 229, + "next": 3349, + "sidechain_SER": 183, "bm": 37.0, "xpr": false, - "prev": 4323, + "prev": 3347, "terminal_flag": false, "phi": -62.1965049976736, "chainID": "B", @@ -326594,11 +254954,11 @@ } }, { - "pk": 4325, + "pk": 3349, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 220, + "sidechain_PRO": 164, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -326616,11 +254976,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4326, + "next": 3350, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4324, + "prev": 3348, "terminal_flag": false, "phi": -73.3977780648337, "chainID": "B", @@ -326655,7 +255015,7 @@ } }, { - "pk": 4326, + "pk": 3350, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -326671,17 +255031,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.1535361856097, - "sidechain_PHE": 160, + "sidechain_PHE": 127, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4327, + "next": 3351, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4325, + "prev": 3349, "terminal_flag": false, "phi": 59.9588746913773, "chainID": "B", @@ -326716,7 +255076,7 @@ } }, { - "pk": 4327, + "pk": 3351, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -326736,13 +255096,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 249, + "sidechain_THR": 188, "sidechain_TRP": null, - "next": 4328, + "next": 3352, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4326, + "prev": 3350, "terminal_flag": false, "phi": -121.933304758942, "chainID": "B", @@ -326777,14 +255137,14 @@ } }, { - "pk": 4328, + "pk": 3352, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 270, + "sidechain_ASP": 217, "a6": 116.373873382528, "psi": 7.23698119317968, "oldID": "1049", @@ -326799,11 +255159,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4329, + "next": 3353, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4327, + "prev": 3351, "terminal_flag": false, "phi": -93.5150221746906, "chainID": "B", @@ -326838,7 +255198,7 @@ } }, { - "pk": 4329, + "pk": 3353, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -326851,7 +255211,7 @@ "oldID": "1050", "bg": 47.23, "sidechain_CYS": null, - "sidechain_ILE": 277, + "sidechain_ILE": 225, "protein": "1TWF", "zeta": 33.8672743994389, "sidechain_PHE": null, @@ -326860,11 +255220,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4330, + "next": 3354, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4328, + "prev": 3352, "terminal_flag": false, "phi": -61.5666444011823, "chainID": "B", @@ -326899,7 +255259,7 @@ } }, { - "pk": 4330, + "pk": 3354, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -326919,13 +255279,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 250, + "sidechain_THR": 189, "sidechain_TRP": null, - "next": 4331, + "next": 3355, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4329, + "prev": 3353, "terminal_flag": false, "phi": -133.934855833864, "chainID": "B", @@ -326960,7 +255320,7 @@ } }, { - "pk": 4331, + "pk": 3355, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -326978,15 +255338,15 @@ "zeta": 35.8645757319719, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 293, + "sidechain_VAL": 241, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4332, + "next": 3356, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4330, + "prev": 3354, "terminal_flag": false, "phi": -59.3543684874833, "chainID": "B", @@ -327021,7 +255381,7 @@ } }, { - "pk": 4332, + "pk": 3356, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -327043,11 +255403,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4333, + "next": 3357, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4331, + "prev": 3355, "terminal_flag": false, "phi": -62.789929048323, "chainID": "B", @@ -327067,7 +255427,7 @@ "L1": 1.32909286803816, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 309, + "sidechain_GLU": 251, "omep": null, "ss": "H", "a3": 108.015850617036, @@ -327082,7 +255442,7 @@ } }, { - "pk": 4333, + "pk": 3357, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -327104,11 +255464,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4334, + "next": 3358, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 4332, + "prev": 3356, "terminal_flag": false, "phi": -66.4146185453209, "chainID": "B", @@ -327143,7 +255503,7 @@ } }, { - "pk": 4334, + "pk": 3358, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -327156,7 +255516,7 @@ "oldID": "1055", "bg": 39.76, "sidechain_CYS": null, - "sidechain_ILE": 278, + "sidechain_ILE": 226, "protein": "1TWF", "zeta": 34.3562440061434, "sidechain_PHE": null, @@ -327165,11 +255525,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4335, + "next": 3359, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4333, + "prev": 3357, "terminal_flag": false, "phi": -81.7141993550635, "chainID": "B", @@ -327204,7 +255564,7 @@ } }, { - "pk": 4335, + "pk": 3359, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -327226,11 +255586,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4336, - "sidechain_SER": 230, + "next": 3360, + "sidechain_SER": 184, "bm": 44.0, "xpr": false, - "prev": 4334, + "prev": 3358, "terminal_flag": false, "phi": -68.3862254981945, "chainID": "B", @@ -327265,7 +255625,7 @@ } }, { - "pk": 4336, + "pk": 3360, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -327282,16 +255642,16 @@ "protein": "1TWF", "zeta": 33.9548991973816, "sidechain_PHE": null, - "sidechain_LYS": 281, + "sidechain_LYS": 202, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4337, + "next": 3361, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 4335, + "prev": 3359, "terminal_flag": false, "phi": -55.7331727231063, "chainID": "B", @@ -327326,7 +255686,7 @@ } }, { - "pk": 4337, + "pk": 3361, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -327348,11 +255708,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4338, + "next": 3362, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4336, + "prev": 3360, "terminal_flag": false, "phi": -55.0532051173816, "chainID": "B", @@ -327379,7 +255739,7 @@ "bs": 41.0, "a2": 110.371912613373, "a5": 119.947137948017, - "sidechain_LEU": 362, + "sidechain_LEU": 302, "chainIndex": 944, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -327387,7 +255747,7 @@ } }, { - "pk": 4338, + "pk": 3362, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -327409,11 +255769,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4339, + "next": 3363, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4337, + "prev": 3361, "terminal_flag": false, "phi": -63.4903282307507, "chainID": "B", @@ -327440,7 +255800,7 @@ "bs": 36.0, "a2": 110.930281222315, "a5": 121.160544494011, - "sidechain_LEU": 363, + "sidechain_LEU": 303, "chainIndex": 945, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -327448,7 +255808,7 @@ } }, { - "pk": 4339, + "pk": 3363, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -327470,11 +255830,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4340, + "next": 3364, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4338, + "prev": 3362, "terminal_flag": false, "phi": -60.5970222915443, "chainID": "B", @@ -327492,7 +255852,7 @@ "L3": 1.52657938438268, "a7": 122.7604669666, "L1": 1.32651783499791, - "sidechain_ARG": 223, + "sidechain_ARG": 182, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -327509,7 +255869,7 @@ } }, { - "pk": 4340, + "pk": 3364, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -327531,11 +255891,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4341, + "next": 3365, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4339, + "prev": 3363, "terminal_flag": false, "phi": -60.0453963109797, "chainID": "B", @@ -327555,7 +255915,7 @@ "L1": 1.32741125283622, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 310, + "sidechain_GLU": 252, "omep": null, "ss": "T", "a3": 109.335302807539, @@ -327570,7 +255930,7 @@ } }, { - "pk": 4341, + "pk": 3365, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -327592,11 +255952,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4342, + "next": 3366, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4340, + "prev": 3364, "terminal_flag": false, "phi": -100.797828838935, "chainID": "B", @@ -327625,13 +255985,13 @@ "a5": 120.445788952733, "sidechain_LEU": null, "chainIndex": 948, - "sidechain_HIS": 115, + "sidechain_HIS": 93, "h_bond_energy": 0.0, "a4": 108.915186600343 } }, { - "pk": 4342, + "pk": 3366, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -327653,11 +256013,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4343, + "next": 3367, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4341, + "prev": 3365, "terminal_flag": false, "phi": 85.700573693589, "chainID": "B", @@ -327692,7 +256052,7 @@ } }, { - "pk": 4343, + "pk": 3367, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -327714,11 +256074,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4344, + "next": 3368, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4342, + "prev": 3366, "terminal_flag": false, "phi": -98.8315402796469, "chainID": "B", @@ -327737,7 +256097,7 @@ "a7": 122.723410461014, "L1": 1.32660249855573, "sidechain_ARG": null, - "sidechain_TYR": 135, + "sidechain_TYR": 92, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -327753,7 +256113,7 @@ } }, { - "pk": 4344, + "pk": 3368, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -327775,15 +256135,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4345, + "next": 3369, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4343, + "prev": 3367, "terminal_flag": false, "phi": -63.1983925825289, "chainID": "B", - "sidechain_GLN": 168, + "sidechain_GLN": 141, "ome": -176.341932058975, "chi2": 98.1390864255418, "chi3": 52.2067444682435, @@ -327814,7 +256174,7 @@ } }, { - "pk": 4345, + "pk": 3369, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -327836,11 +256196,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4346, - "sidechain_SER": 231, + "next": 3370, + "sidechain_SER": 185, "bm": 41.0, "xpr": false, - "prev": 4344, + "prev": 3368, "terminal_flag": false, "phi": -39.4799390958536, "chainID": "B", @@ -327875,7 +256235,7 @@ } }, { - "pk": 4346, + "pk": 3370, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -327897,11 +256257,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4347, + "next": 3371, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4345, + "prev": 3369, "terminal_flag": false, "phi": -91.2622068391508, "chainID": "B", @@ -327919,7 +256279,7 @@ "L3": 1.53684844009462, "a7": 122.480460911663, "L1": 1.32968574209651, - "sidechain_ARG": 224, + "sidechain_ARG": 183, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -327936,7 +256296,7 @@ } }, { - "pk": 4347, + "pk": 3371, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -327958,11 +256318,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4348, + "next": 3372, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4346, + "prev": 3370, "terminal_flag": false, "phi": 69.0248701096275, "chainID": "B", @@ -327997,7 +256357,7 @@ } }, { - "pk": 4348, + "pk": 3372, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -328013,17 +256373,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.2744525357401, - "sidechain_PHE": 161, + "sidechain_PHE": 128, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4349, + "next": 3373, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4347, + "prev": 3371, "terminal_flag": false, "phi": -72.2089069907439, "chainID": "B", @@ -328058,7 +256418,7 @@ } }, { - "pk": 4349, + "pk": 3373, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -328080,11 +256440,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4350, + "next": 3374, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4348, + "prev": 3372, "terminal_flag": false, "phi": -151.77488833463, "chainID": "B", @@ -328104,7 +256464,7 @@ "L1": 1.33035313284456, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 311, + "sidechain_GLU": 253, "omep": null, "ss": "E", "a3": 109.824099417299, @@ -328119,7 +256479,7 @@ } }, { - "pk": 4350, + "pk": 3374, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -328137,15 +256497,15 @@ "zeta": 36.9876892521316, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 294, + "sidechain_VAL": 242, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4351, + "next": 3375, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4349, + "prev": 3373, "terminal_flag": false, "phi": -77.6851836943928, "chainID": "B", @@ -328180,7 +256540,7 @@ } }, { - "pk": 4351, + "pk": 3375, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -328199,14 +256559,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 119, + "sidechain_MET": 92, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4352, + "next": 3376, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4350, + "prev": 3374, "terminal_flag": false, "phi": -137.631672626257, "chainID": "B", @@ -328241,7 +256601,7 @@ } }, { - "pk": 4352, + "pk": 3376, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -328263,11 +256623,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4353, + "next": 3377, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4351, + "prev": 3375, "terminal_flag": false, "phi": -110.207974772816, "chainID": "B", @@ -328286,7 +256646,7 @@ "a7": 122.997851734818, "L1": 1.32557314706621, "sidechain_ARG": null, - "sidechain_TYR": 136, + "sidechain_TYR": 93, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -328302,12 +256662,12 @@ } }, { - "pk": 4353, + "pk": 3377, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 180, + "sidechain_ASN": 131, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.567790598734, @@ -328324,11 +256684,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4354, + "next": 3378, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4352, + "prev": 3376, "terminal_flag": false, "phi": -74.7625619603476, "chainID": "B", @@ -328363,7 +256723,7 @@ } }, { - "pk": 4354, + "pk": 3378, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -328385,11 +256745,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4355, + "next": 3379, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4353, + "prev": 3377, "terminal_flag": false, "phi": -66.1301877631332, "chainID": "B", @@ -328424,7 +256784,7 @@ } }, { - "pk": 4355, + "pk": 3379, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -328446,11 +256806,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4356, + "next": 3380, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4354, + "prev": 3378, "terminal_flag": false, "phi": -83.4773844040578, "chainID": "B", @@ -328479,13 +256839,13 @@ "a5": 120.382664483873, "sidechain_LEU": null, "chainIndex": 962, - "sidechain_HIS": 116, + "sidechain_HIS": 94, "h_bond_energy": 0.0, "a4": 105.830348774589 } }, { - "pk": 4356, + "pk": 3380, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -328505,13 +256865,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 251, + "sidechain_THR": 190, "sidechain_TRP": null, - "next": 4357, + "next": 3381, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4355, + "prev": 3379, "terminal_flag": false, "phi": -122.078466062347, "chainID": "B", @@ -328546,7 +256906,7 @@ } }, { - "pk": 4357, + "pk": 3381, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -328568,11 +256928,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4358, + "next": 3382, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4356, + "prev": 3380, "terminal_flag": false, "phi": 87.9146354844162, "chainID": "B", @@ -328607,7 +256967,7 @@ } }, { - "pk": 4358, + "pk": 3382, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -328624,16 +256984,16 @@ "protein": "1TWF", "zeta": 34.4683390531486, "sidechain_PHE": null, - "sidechain_LYS": 282, + "sidechain_LYS": 203, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4359, + "next": 3383, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4357, + "prev": 3381, "terminal_flag": false, "phi": -66.8612025611438, "chainID": "B", @@ -328668,7 +257028,7 @@ } }, { - "pk": 4359, + "pk": 3383, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -328685,16 +257045,16 @@ "protein": "1TWF", "zeta": 34.9241574949219, "sidechain_PHE": null, - "sidechain_LYS": 283, + "sidechain_LYS": 204, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4360, + "next": 3384, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4358, + "prev": 3382, "terminal_flag": false, "phi": -67.4020155064141, "chainID": "B", @@ -328729,7 +257089,7 @@ } }, { - "pk": 4360, + "pk": 3384, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -328751,11 +257111,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4361, + "next": 3385, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4359, + "prev": 3383, "terminal_flag": false, "phi": -108.632779633678, "chainID": "B", @@ -328782,7 +257142,7 @@ "bs": 31.0, "a2": 111.984174263352, "a5": 120.76498884384, - "sidechain_LEU": 364, + "sidechain_LEU": 304, "chainIndex": 967, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -328790,7 +257150,7 @@ } }, { - "pk": 4361, + "pk": 3385, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -328809,14 +257169,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 120, + "sidechain_MET": 93, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4362, + "next": 3386, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4360, + "prev": 3384, "terminal_flag": false, "phi": -69.7885620378531, "chainID": "B", @@ -328851,7 +257211,7 @@ } }, { - "pk": 4362, + "pk": 3386, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -328873,11 +257233,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4363, + "next": 3387, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4361, + "prev": 3385, "terminal_flag": false, "phi": -113.9033633548, "chainID": "B", @@ -328912,7 +257272,7 @@ } }, { - "pk": 4363, + "pk": 3387, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -328934,15 +257294,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4364, + "next": 3388, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4362, + "prev": 3386, "terminal_flag": false, "phi": -94.695565878845, "chainID": "B", - "sidechain_GLN": 169, + "sidechain_GLN": 142, "ome": -178.41733631997, "chi2": 75.7492335917076, "chi3": -113.639720339167, @@ -328973,7 +257333,7 @@ } }, { - "pk": 4364, + "pk": 3388, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -328986,7 +257346,7 @@ "oldID": "1085", "bg": 33.54, "sidechain_CYS": null, - "sidechain_ILE": 279, + "sidechain_ILE": 227, "protein": "1TWF", "zeta": 33.5150797471317, "sidechain_PHE": null, @@ -328995,11 +257355,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4365, + "next": 3389, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4363, + "prev": 3387, "terminal_flag": false, "phi": -101.721624547382, "chainID": "B", @@ -329034,7 +257394,7 @@ } }, { - "pk": 4365, + "pk": 3389, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -329050,17 +257410,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.9729473488567, - "sidechain_PHE": 162, + "sidechain_PHE": 129, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4366, + "next": 3390, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4364, + "prev": 3388, "terminal_flag": false, "phi": -68.7430078712813, "chainID": "B", @@ -329095,7 +257455,7 @@ } }, { - "pk": 4366, + "pk": 3390, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -329111,17 +257471,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 36.2000438210162, - "sidechain_PHE": 163, + "sidechain_PHE": 130, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4367, + "next": 3391, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4365, + "prev": 3389, "terminal_flag": false, "phi": -130.71896491655, "chainID": "B", @@ -329156,7 +257516,7 @@ } }, { - "pk": 4367, + "pk": 3391, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -329178,11 +257538,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4368, + "next": 3392, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4366, + "prev": 3390, "terminal_flag": false, "phi": -174.453428464897, "chainID": "B", @@ -329217,11 +257577,11 @@ } }, { - "pk": 4368, + "pk": 3392, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 221, + "sidechain_PRO": 165, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -329239,11 +257599,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4369, + "next": 3393, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4367, + "prev": 3391, "terminal_flag": false, "phi": -73.6234573004357, "chainID": "B", @@ -329278,7 +257638,7 @@ } }, { - "pk": 4369, + "pk": 3393, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -329298,13 +257658,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 252, + "sidechain_THR": 191, "sidechain_TRP": null, - "next": 4370, + "next": 3394, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4368, + "prev": 3392, "terminal_flag": false, "phi": -154.809787440712, "chainID": "B", @@ -329339,7 +257699,7 @@ } }, { - "pk": 4370, + "pk": 3394, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -329361,11 +257721,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4371, + "next": 3395, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4369, + "prev": 3393, "terminal_flag": false, "phi": -70.1750487168132, "chainID": "B", @@ -329384,7 +257744,7 @@ "a7": 122.279543082185, "L1": 1.32603023673275, "sidechain_ARG": null, - "sidechain_TYR": 137, + "sidechain_TYR": 94, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -329400,7 +257760,7 @@ } }, { - "pk": 4371, + "pk": 3395, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -329422,11 +257782,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4372, + "next": 3396, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4370, + "prev": 3394, "terminal_flag": false, "phi": -132.818621180138, "chainID": "B", @@ -329445,7 +257805,7 @@ "a7": 123.657548396175, "L1": 1.33050113304063, "sidechain_ARG": null, - "sidechain_TYR": 138, + "sidechain_TYR": 95, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -329461,7 +257821,7 @@ } }, { - "pk": 4372, + "pk": 3396, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -329483,15 +257843,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4373, + "next": 3397, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4371, + "prev": 3395, "terminal_flag": false, "phi": -101.478006954849, "chainID": "B", - "sidechain_GLN": 170, + "sidechain_GLN": 143, "ome": 176.805174953072, "chi2": 161.738487428998, "chi3": -60.6683333016957, @@ -329522,7 +257882,7 @@ } }, { - "pk": 4373, + "pk": 3397, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -329544,11 +257904,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4374, + "next": 3398, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4372, + "prev": 3396, "terminal_flag": false, "phi": -94.4613626680206, "chainID": "B", @@ -329566,7 +257926,7 @@ "L3": 1.53730839570567, "a7": 122.049332659359, "L1": 1.32809994769595, - "sidechain_ARG": 225, + "sidechain_ARG": 184, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -329583,7 +257943,7 @@ } }, { - "pk": 4374, + "pk": 3398, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -329605,11 +257965,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4375, + "next": 3399, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4373, + "prev": 3397, "terminal_flag": false, "phi": -93.5631715407362, "chainID": "B", @@ -329636,7 +257996,7 @@ "bs": 38.0, "a2": 109.333243361858, "a5": 120.397365650717, - "sidechain_LEU": 365, + "sidechain_LEU": 305, "chainIndex": 981, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -329644,7 +258004,7 @@ } }, { - "pk": 4375, + "pk": 3399, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -329666,11 +258026,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4376, + "next": 3400, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4374, + "prev": 3398, "terminal_flag": false, "phi": -82.9227229644955, "chainID": "B", @@ -329688,7 +258048,7 @@ "L3": 1.52636769584116, "a7": 122.246574690133, "L1": 1.32529847901408, - "sidechain_ARG": 226, + "sidechain_ARG": 185, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -329705,7 +258065,7 @@ } }, { - "pk": 4376, + "pk": 3400, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -329727,11 +258087,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4377, + "next": 3401, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 4375, + "prev": 3399, "terminal_flag": false, "phi": 50.3977793416738, "chainID": "B", @@ -329760,13 +258120,13 @@ "a5": 121.238137642985, "sidechain_LEU": null, "chainIndex": 983, - "sidechain_HIS": 117, + "sidechain_HIS": 95, "h_bond_energy": 0.0, "a4": 108.939660129681 } }, { - "pk": 4377, + "pk": 3401, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -329785,14 +258145,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 121, + "sidechain_MET": 94, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4378, + "next": 3402, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 4376, + "prev": 3400, "terminal_flag": false, "phi": -107.21535833973, "chainID": "B", @@ -329827,7 +258187,7 @@ } }, { - "pk": 4378, + "pk": 3402, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -329845,15 +258205,15 @@ "zeta": 34.3415163848395, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 295, + "sidechain_VAL": 243, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4379, + "next": 3403, "sidechain_SER": null, "bm": 116.0, "xpr": false, - "prev": 4377, + "prev": 3401, "terminal_flag": false, "phi": -39.220711762293, "chainID": "B", @@ -329888,14 +258248,14 @@ } }, { - "pk": 4379, + "pk": 3403, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 271, + "sidechain_ASP": 218, "a6": 117.036344954041, "psi": -3.99029179335383, "oldID": "1100", @@ -329910,11 +258270,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4380, + "next": 3404, "sidechain_SER": null, "bm": 126.0, "xpr": false, - "prev": 4378, + "prev": 3402, "terminal_flag": false, "phi": -52.6432974105806, "chainID": "B", @@ -329949,14 +258309,14 @@ } }, { - "pk": 4380, + "pk": 3404, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 272, + "sidechain_ASP": 219, "a6": 116.542805936981, "psi": 4.91017730884865, "oldID": "1101", @@ -329971,11 +258331,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4381, + "next": 3405, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 4379, + "prev": 3403, "terminal_flag": false, "phi": -105.730120804603, "chainID": "B", @@ -330010,7 +258370,7 @@ } }, { - "pk": 4381, + "pk": 3405, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -330027,16 +258387,16 @@ "protein": "1TWF", "zeta": 34.5491823312507, "sidechain_PHE": null, - "sidechain_LYS": 284, + "sidechain_LYS": 205, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4382, + "next": 3406, "sidechain_SER": null, "bm": 136.0, "xpr": false, - "prev": 4380, + "prev": 3404, "terminal_flag": false, "phi": -138.866558303665, "chainID": "B", @@ -330071,7 +258431,7 @@ } }, { - "pk": 4382, + "pk": 3406, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -330084,7 +258444,7 @@ "oldID": "1103", "bg": 136.83, "sidechain_CYS": null, - "sidechain_ILE": 280, + "sidechain_ILE": 228, "protein": "1TWF", "zeta": 35.03303660975, "sidechain_PHE": null, @@ -330093,11 +258453,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4383, + "next": 3407, "sidechain_SER": null, "bm": 137.0, "xpr": false, - "prev": 4381, + "prev": 3405, "terminal_flag": false, "phi": -78.9178842187848, "chainID": "B", @@ -330132,7 +258492,7 @@ } }, { - "pk": 4383, + "pk": 3407, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -330154,11 +258514,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4384, + "next": 3408, "sidechain_SER": null, "bm": 136.0, "xpr": false, - "prev": 4382, + "prev": 3406, "terminal_flag": false, "phi": -115.283742513074, "chainID": "B", @@ -330187,13 +258547,13 @@ "a5": 121.039688063833, "sidechain_LEU": null, "chainIndex": 990, - "sidechain_HIS": 118, + "sidechain_HIS": 96, "h_bond_energy": 0.0, "a4": 109.722162961222 } }, { - "pk": 4384, + "pk": 3408, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -330215,11 +258575,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4385, + "next": 3409, "sidechain_SER": null, "bm": 135.0, "xpr": false, - "prev": 4383, + "prev": 3407, "terminal_flag": false, "phi": -125.441939449301, "chainID": "B", @@ -330254,7 +258614,7 @@ } }, { - "pk": 4385, + "pk": 3409, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -330276,11 +258636,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4386, + "next": 3410, "sidechain_SER": null, "bm": 136.0, "xpr": false, - "prev": 4384, + "prev": 3408, "terminal_flag": false, "phi": -96.2154187738416, "chainID": "B", @@ -330298,7 +258658,7 @@ "L3": 1.53003351675344, "a7": 123.126650013678, "L1": 1.33014568979446, - "sidechain_ARG": 227, + "sidechain_ARG": 186, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -330315,7 +258675,7 @@ } }, { - "pk": 4386, + "pk": 3410, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -330337,11 +258697,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4387, + "next": 3411, "sidechain_SER": null, "bm": 136.0, "xpr": false, - "prev": 4385, + "prev": 3409, "terminal_flag": false, "phi": -129.776004444711, "chainID": "B", @@ -330376,7 +258736,7 @@ } }, { - "pk": 4387, + "pk": 3411, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -330398,11 +258758,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4388, + "next": 3412, "sidechain_SER": null, "bm": 138.0, "xpr": false, - "prev": 4386, + "prev": 3410, "terminal_flag": false, "phi": -59.0879057049808, "chainID": "B", @@ -330420,7 +258780,7 @@ "L3": 1.53236877031929, "a7": 123.05712383056, "L1": 1.32949135328367, - "sidechain_ARG": 228, + "sidechain_ARG": 187, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -330437,7 +258797,7 @@ } }, { - "pk": 4388, + "pk": 3412, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -330459,11 +258819,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4389, + "next": 3413, "sidechain_SER": null, "bm": 138.0, "xpr": false, - "prev": 4387, + "prev": 3411, "terminal_flag": false, "phi": -72.3630326927018, "chainID": "B", @@ -330498,11 +258858,11 @@ } }, { - "pk": 4389, + "pk": 3413, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 222, + "sidechain_PRO": 166, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -330524,7 +258884,7 @@ "sidechain_SER": null, "bm": 139.0, "xpr": false, - "prev": 4388, + "prev": 3412, "terminal_flag": false, "phi": -68.1922430290433, "chainID": "B", @@ -330559,7 +258919,7 @@ } }, { - "pk": 4390, + "pk": 3414, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -330581,7 +258941,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4391, + "next": 3415, "sidechain_SER": null, "bm": 86.0, "xpr": false, @@ -330620,7 +258980,7 @@ } }, { - "pk": 4391, + "pk": 3415, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -330642,11 +259002,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4392, + "next": 3416, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 4390, + "prev": 3414, "terminal_flag": false, "phi": 66.9277573181283, "chainID": "B", @@ -330673,7 +259033,7 @@ "bs": 82.0, "a2": 111.177711147857, "a5": 121.284685083189, - "sidechain_LEU": 366, + "sidechain_LEU": 306, "chainIndex": 998, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -330681,7 +259041,7 @@ } }, { - "pk": 4392, + "pk": 3416, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -330703,11 +259063,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4393, + "next": 3417, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4391, + "prev": 3415, "terminal_flag": false, "phi": -160.764062891121, "chainID": "B", @@ -330725,7 +259085,7 @@ "L3": 1.53091079478059, "a7": 123.432907201316, "L1": 1.32932870772342, - "sidechain_ARG": 229, + "sidechain_ARG": 188, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -330742,7 +259102,7 @@ } }, { - "pk": 4393, + "pk": 3417, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -330758,17 +259118,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3758048688829, - "sidechain_PHE": 164, + "sidechain_PHE": 131, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4394, + "next": 3418, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4392, + "prev": 3416, "terminal_flag": false, "phi": -114.68386024673, "chainID": "B", @@ -330803,7 +259163,7 @@ } }, { - "pk": 4394, + "pk": 3418, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -330825,11 +259185,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4395, + "next": 3419, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4393, + "prev": 3417, "terminal_flag": false, "phi": -90.3371014639126, "chainID": "B", @@ -330864,7 +259224,7 @@ } }, { - "pk": 4395, + "pk": 3419, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -330886,11 +259246,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4396, + "next": 3420, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4394, + "prev": 3418, "terminal_flag": false, "phi": -48.2909458532754, "chainID": "B", @@ -330910,7 +259270,7 @@ "L1": 1.33040437592197, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 312, + "sidechain_GLU": 254, "omep": null, "ss": "H", "a3": 114.713729059392, @@ -330925,7 +259285,7 @@ } }, { - "pk": 4396, + "pk": 3420, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -330944,14 +259304,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 122, + "sidechain_MET": 95, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4397, + "next": 3421, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4395, + "prev": 3419, "terminal_flag": false, "phi": -74.114122444059, "chainID": "B", @@ -330986,7 +259346,7 @@ } }, { - "pk": 4397, + "pk": 3421, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -331008,11 +259368,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4398, + "next": 3422, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4396, + "prev": 3420, "terminal_flag": false, "phi": -67.9875651401299, "chainID": "B", @@ -331032,7 +259392,7 @@ "L1": 1.32591918085041, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 313, + "sidechain_GLU": 255, "omep": null, "ss": "H", "a3": 108.762510918317, @@ -331047,7 +259407,7 @@ } }, { - "pk": 4398, + "pk": 3422, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -331069,11 +259429,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4399, + "next": 3423, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4397, + "prev": 3421, "terminal_flag": false, "phi": -71.3455098129832, "chainID": "B", @@ -331091,7 +259451,7 @@ "L3": 1.53351147122791, "a7": 122.754949285035, "L1": 1.32805048419835, - "sidechain_ARG": 230, + "sidechain_ARG": 189, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -331108,14 +259468,14 @@ } }, { - "pk": 4399, + "pk": 3423, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 273, + "sidechain_ASP": 220, "a6": 115.48823711454, "psi": -42.7981587764827, "oldID": "1136", @@ -331130,11 +259490,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4400, + "next": 3424, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4398, + "prev": 3422, "terminal_flag": false, "phi": -55.139676019751, "chainID": "B", @@ -331169,7 +259529,7 @@ } }, { - "pk": 4400, + "pk": 3424, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -331181,7 +259541,7 @@ "psi": -57.2848514306939, "oldID": "1137", "bg": 24.69, - "sidechain_CYS": 77, + "sidechain_CYS": 59, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.5714648050097, @@ -331191,11 +259551,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4401, + "next": 3425, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4399, + "prev": 3423, "terminal_flag": false, "phi": -57.0239797250512, "chainID": "B", @@ -331230,7 +259590,7 @@ } }, { - "pk": 4401, + "pk": 3425, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -331249,14 +259609,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 123, + "sidechain_MET": 96, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4402, + "next": 3426, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4400, + "prev": 3424, "terminal_flag": false, "phi": -59.1419607637781, "chainID": "B", @@ -331291,7 +259651,7 @@ } }, { - "pk": 4402, + "pk": 3426, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -331304,7 +259664,7 @@ "oldID": "1139", "bg": 19.99, "sidechain_CYS": null, - "sidechain_ILE": 281, + "sidechain_ILE": 229, "protein": "1TWF", "zeta": 33.1280311292158, "sidechain_PHE": null, @@ -331313,11 +259673,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4403, + "next": 3427, "sidechain_SER": null, "bm": 16.0, "xpr": false, - "prev": 4401, + "prev": 3425, "terminal_flag": false, "phi": -54.2404823970167, "chainID": "B", @@ -331352,7 +259712,7 @@ } }, { - "pk": 4403, + "pk": 3427, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -331374,11 +259734,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4404, + "next": 3428, "sidechain_SER": null, "bm": 16.0, "xpr": false, - "prev": 4402, + "prev": 3426, "terminal_flag": false, "phi": -57.490951259407, "chainID": "B", @@ -331413,7 +259773,7 @@ } }, { - "pk": 4404, + "pk": 3428, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -331435,11 +259795,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4405, + "next": 3429, "sidechain_SER": null, "bm": 18.0, "xpr": false, - "prev": 4403, + "prev": 3427, "terminal_flag": false, "phi": -68.9424949950455, "chainID": "B", @@ -331468,13 +259828,13 @@ "a5": 121.083255556617, "sidechain_LEU": null, "chainIndex": 1011, - "sidechain_HIS": 119, + "sidechain_HIS": 97, "h_bond_energy": 0.0, "a4": 108.379805033287 } }, { - "pk": 4405, + "pk": 3429, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -331496,11 +259856,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4406, + "next": 3430, "sidechain_SER": null, "bm": 23.0, "xpr": false, - "prev": 4404, + "prev": 3428, "terminal_flag": false, "phi": 85.1358976264075, "chainID": "B", @@ -331535,7 +259895,7 @@ } }, { - "pk": 4406, + "pk": 3430, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -331557,11 +259917,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4407, + "next": 3431, "sidechain_SER": null, "bm": 26.0, "xpr": false, - "prev": 4405, + "prev": 3429, "terminal_flag": false, "phi": -86.302355339199, "chainID": "B", @@ -331596,7 +259956,7 @@ } }, { - "pk": 4407, + "pk": 3431, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -331618,11 +259978,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4408, + "next": 3432, "sidechain_SER": null, "bm": 25.0, "xpr": false, - "prev": 4406, + "prev": 3430, "terminal_flag": false, "phi": -64.4082601413478, "chainID": "B", @@ -331657,7 +260017,7 @@ } }, { - "pk": 4408, + "pk": 3432, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -331679,11 +260039,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4409, - "sidechain_SER": 232, + "next": 3433, + "sidechain_SER": 186, "bm": 28.0, "xpr": false, - "prev": 4407, + "prev": 3431, "terminal_flag": false, "phi": -57.8365906994605, "chainID": "B", @@ -331718,7 +260078,7 @@ } }, { - "pk": 4409, + "pk": 3433, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -331734,17 +260094,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.2871099159953, - "sidechain_PHE": 165, + "sidechain_PHE": 132, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4410, + "next": 3434, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4408, + "prev": 3432, "terminal_flag": false, "phi": -54.9952394324636, "chainID": "B", @@ -331779,7 +260139,7 @@ } }, { - "pk": 4410, + "pk": 3434, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -331801,11 +260161,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4411, + "next": 3435, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4409, + "prev": 3433, "terminal_flag": false, "phi": -57.9391937204286, "chainID": "B", @@ -331832,7 +260192,7 @@ "bs": 36.0, "a2": 110.755139215112, "a5": 120.171235105779, - "sidechain_LEU": 367, + "sidechain_LEU": 307, "chainIndex": 1017, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -331840,7 +260200,7 @@ } }, { - "pk": 4411, + "pk": 3435, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -331857,16 +260217,16 @@ "protein": "1TWF", "zeta": 34.1503579866771, "sidechain_PHE": null, - "sidechain_LYS": 285, + "sidechain_LYS": 206, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4412, + "next": 3436, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4410, + "prev": 3434, "terminal_flag": false, "phi": -64.8278167567636, "chainID": "B", @@ -331901,7 +260261,7 @@ } }, { - "pk": 4412, + "pk": 3436, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -331923,11 +260283,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4413, + "next": 3437, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4411, + "prev": 3435, "terminal_flag": false, "phi": -62.975183068344, "chainID": "B", @@ -331947,7 +260307,7 @@ "L1": 1.33399312597819, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 314, + "sidechain_GLU": 256, "omep": null, "ss": "H", "a3": 112.683469202384, @@ -331962,7 +260322,7 @@ } }, { - "pk": 4413, + "pk": 3437, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -331984,11 +260344,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4414, + "next": 3438, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4412, + "prev": 3436, "terminal_flag": false, "phi": -69.2008262403601, "chainID": "B", @@ -332006,7 +260366,7 @@ "L3": 1.52331510981223, "a7": 122.543087803766, "L1": 1.32762613507998, - "sidechain_ARG": 231, + "sidechain_ARG": 190, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -332023,7 +260383,7 @@ } }, { - "pk": 4414, + "pk": 3438, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -332045,11 +260405,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4415, + "next": 3439, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4413, + "prev": 3437, "terminal_flag": false, "phi": -120.279480604751, "chainID": "B", @@ -332076,7 +260436,7 @@ "bs": 50.0, "a2": 108.939239706982, "a5": 119.838882115421, - "sidechain_LEU": 368, + "sidechain_LEU": 308, "chainIndex": 1021, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -332084,7 +260444,7 @@ } }, { - "pk": 4415, + "pk": 3439, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -332103,14 +260463,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 124, + "sidechain_MET": 97, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4416, + "next": 3440, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4414, + "prev": 3438, "terminal_flag": false, "phi": -82.0994893856162, "chainID": "B", @@ -332145,7 +260505,7 @@ } }, { - "pk": 4416, + "pk": 3440, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -332167,11 +260527,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4417, + "next": 3441, "sidechain_SER": null, "bm": 93.0, "xpr": false, - "prev": 4415, + "prev": 3439, "terminal_flag": false, "phi": -61.4816784774323, "chainID": "B", @@ -332191,7 +260551,7 @@ "L1": 1.33180174100021, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 315, + "sidechain_GLU": 257, "omep": null, "ss": "-", "a3": 110.83050313952, @@ -332206,7 +260566,7 @@ } }, { - "pk": 4417, + "pk": 3441, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -332228,11 +260588,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4418, + "next": 3442, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 4416, + "prev": 3440, "terminal_flag": false, "phi": -56.0130872306061, "chainID": "B", @@ -332267,7 +260627,7 @@ } }, { - "pk": 4418, + "pk": 3442, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -332289,11 +260649,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4419, - "sidechain_SER": 233, + "next": 3443, + "sidechain_SER": 187, "bm": 105.0, "xpr": false, - "prev": 4417, + "prev": 3441, "terminal_flag": false, "phi": -46.7793161793751, "chainID": "B", @@ -332328,14 +260688,14 @@ } }, { - "pk": 4419, + "pk": 3443, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 274, + "sidechain_ASP": 221, "a6": 116.141119916102, "psi": 135.99242385424, "oldID": "1156", @@ -332350,11 +260710,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4420, + "next": 3444, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 4418, + "prev": 3442, "terminal_flag": false, "phi": -58.0151183221946, "chainID": "B", @@ -332389,7 +260749,7 @@ } }, { - "pk": 4420, + "pk": 3444, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -332411,11 +260771,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4421, + "next": 3445, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4419, + "prev": 3443, "terminal_flag": false, "phi": -79.4068053871138, "chainID": "B", @@ -332450,7 +260810,7 @@ } }, { - "pk": 4421, + "pk": 3445, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -332466,17 +260826,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7022973207296, - "sidechain_PHE": 166, + "sidechain_PHE": 133, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4422, + "next": 3446, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4420, + "prev": 3444, "terminal_flag": false, "phi": -44.6074691464184, "chainID": "B", @@ -332511,7 +260871,7 @@ } }, { - "pk": 4422, + "pk": 3446, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -332533,11 +260893,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4423, + "next": 3447, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 4421, + "prev": 3445, "terminal_flag": false, "phi": -105.256937815221, "chainID": "B", @@ -332555,7 +260915,7 @@ "L3": 1.53224144780923, "a7": 122.992836662023, "L1": 1.32806700383619, - "sidechain_ARG": 232, + "sidechain_ARG": 191, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -332572,7 +260932,7 @@ } }, { - "pk": 4423, + "pk": 3447, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -332590,15 +260950,15 @@ "zeta": 35.7277293533782, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 296, + "sidechain_VAL": 244, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4424, + "next": 3448, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 4422, + "prev": 3446, "terminal_flag": false, "phi": -122.616139360039, "chainID": "B", @@ -332633,7 +260993,7 @@ } }, { - "pk": 4424, + "pk": 3448, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -332655,11 +261015,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4425, + "next": 3449, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4423, + "prev": 3447, "terminal_flag": false, "phi": -115.685995924832, "chainID": "B", @@ -332688,13 +261048,13 @@ "a5": 120.133336842056, "sidechain_LEU": null, "chainIndex": 1031, - "sidechain_HIS": 120, + "sidechain_HIS": 98, "h_bond_energy": 0.0, "a4": 111.078050706898 } }, { - "pk": 4425, + "pk": 3449, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -332707,7 +261067,7 @@ "oldID": "1162", "bg": 72.48, "sidechain_CYS": null, - "sidechain_ILE": 282, + "sidechain_ILE": 230, "protein": "1TWF", "zeta": 35.3552007100518, "sidechain_PHE": null, @@ -332716,11 +261076,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4426, + "next": 3450, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4424, + "prev": 3448, "terminal_flag": false, "phi": -135.701483496584, "chainID": "B", @@ -332755,7 +261115,7 @@ } }, { - "pk": 4426, + "pk": 3450, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -332767,7 +261127,7 @@ "psi": 145.552906657531, "oldID": "1163", "bg": 68.04, - "sidechain_CYS": 78, + "sidechain_CYS": 60, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.596905761874, @@ -332777,11 +261137,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4427, + "next": 3451, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4425, + "prev": 3449, "terminal_flag": false, "phi": -77.841748487639, "chainID": "B", @@ -332816,7 +261176,7 @@ } }, { - "pk": 4427, + "pk": 3451, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -332838,11 +261198,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4428, + "next": 3452, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4426, + "prev": 3450, "terminal_flag": false, "phi": -81.492568997092, "chainID": "B", @@ -332877,7 +261237,7 @@ } }, { - "pk": 4428, + "pk": 3452, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -332890,7 +261250,7 @@ "oldID": "1165", "bg": 68.55, "sidechain_CYS": null, - "sidechain_ILE": 283, + "sidechain_ILE": 231, "protein": "1TWF", "zeta": 34.0198292487053, "sidechain_PHE": null, @@ -332899,11 +261259,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4429, + "next": 3453, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 4427, + "prev": 3451, "terminal_flag": false, "phi": -88.4466242775115, "chainID": "B", @@ -332938,7 +261298,7 @@ } }, { - "pk": 4429, + "pk": 3453, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -332950,7 +261310,7 @@ "psi": 127.96339339093, "oldID": "1166", "bg": 72.08, - "sidechain_CYS": 79, + "sidechain_CYS": 61, "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.9658831972618, @@ -332960,11 +261320,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4430, + "next": 3454, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 4428, + "prev": 3452, "terminal_flag": false, "phi": -110.837862385829, "chainID": "B", @@ -332999,7 +261359,7 @@ } }, { - "pk": 4430, + "pk": 3454, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -333021,11 +261381,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4431, + "next": 3455, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4429, + "prev": 3453, "terminal_flag": false, "phi": -72.3469426715451, "chainID": "B", @@ -333060,7 +261420,7 @@ } }, { - "pk": 4431, + "pk": 3455, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -333082,11 +261442,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4432, + "next": 3456, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4430, + "prev": 3454, "terminal_flag": false, "phi": -104.044353303294, "chainID": "B", @@ -333113,7 +261473,7 @@ "bs": 65.0, "a2": 110.09556279124, "a5": 121.362240376555, - "sidechain_LEU": 369, + "sidechain_LEU": 309, "chainIndex": 1038, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -333121,7 +261481,7 @@ } }, { - "pk": 4432, + "pk": 3456, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -333140,14 +261500,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 125, + "sidechain_MET": 98, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4433, + "next": 3457, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4431, + "prev": 3455, "terminal_flag": false, "phi": -96.61243134272, "chainID": "B", @@ -333182,7 +261542,7 @@ } }, { - "pk": 4433, + "pk": 3457, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -333202,13 +261562,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 253, + "sidechain_THR": 192, "sidechain_TRP": null, - "next": 4434, + "next": 3458, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4432, + "prev": 3456, "terminal_flag": false, "phi": -98.3229411846555, "chainID": "B", @@ -333243,7 +261603,7 @@ } }, { - "pk": 4434, + "pk": 3458, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -333261,15 +261621,15 @@ "zeta": 34.4098952080422, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 297, + "sidechain_VAL": 245, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4435, + "next": 3459, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4433, + "prev": 3457, "terminal_flag": false, "phi": -79.5863733606639, "chainID": "B", @@ -333304,7 +261664,7 @@ } }, { - "pk": 4435, + "pk": 3459, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -333317,7 +261677,7 @@ "oldID": "1172", "bg": 95.38, "sidechain_CYS": null, - "sidechain_ILE": 284, + "sidechain_ILE": 232, "protein": "1TWF", "zeta": 34.9787382111628, "sidechain_PHE": null, @@ -333326,11 +261686,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4436, + "next": 3460, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 4434, + "prev": 3458, "terminal_flag": false, "phi": -84.9483771546597, "chainID": "B", @@ -333365,7 +261725,7 @@ } }, { - "pk": 4436, + "pk": 3460, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -333387,11 +261747,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4437, + "next": 3461, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 4435, + "prev": 3459, "terminal_flag": false, "phi": -92.0367064026946, "chainID": "B", @@ -333426,7 +261786,7 @@ } }, { - "pk": 4437, + "pk": 3461, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -333443,16 +261803,16 @@ "protein": "1TWF", "zeta": 35.3257270715308, "sidechain_PHE": null, - "sidechain_LYS": 286, + "sidechain_LYS": 207, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4438, + "next": 3462, "sidechain_SER": null, "bm": 110.0, "xpr": false, - "prev": 4436, + "prev": 3460, "terminal_flag": false, "phi": -102.725733030532, "chainID": "B", @@ -333487,7 +261847,7 @@ } }, { - "pk": 4438, + "pk": 3462, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -333509,11 +261869,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4439, + "next": 3463, "sidechain_SER": null, "bm": 115.0, "xpr": false, - "prev": 4437, + "prev": 3461, "terminal_flag": false, "phi": -63.1624607603803, "chainID": "B", @@ -333540,7 +261900,7 @@ "bs": 114.0, "a2": 109.174480235398, "a5": 120.185624576787, - "sidechain_LEU": 370, + "sidechain_LEU": 310, "chainIndex": 1045, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -333548,12 +261908,12 @@ } }, { - "pk": 4439, + "pk": 3463, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 181, + "sidechain_ASN": 132, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.797096539483, @@ -333570,11 +261930,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4440, + "next": 3464, "sidechain_SER": null, "bm": 118.0, "xpr": false, - "prev": 4438, + "prev": 3462, "terminal_flag": false, "phi": -87.0026028092966, "chainID": "B", @@ -333609,7 +261969,7 @@ } }, { - "pk": 4440, + "pk": 3464, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -333631,11 +261991,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4441, + "next": 3465, "sidechain_SER": null, "bm": 120.0, "xpr": false, - "prev": 4439, + "prev": 3463, "terminal_flag": false, "phi": -82.8173050807146, "chainID": "B", @@ -333664,18 +262024,18 @@ "a5": 120.520819240599, "sidechain_LEU": null, "chainIndex": 1047, - "sidechain_HIS": 121, + "sidechain_HIS": 99, "h_bond_energy": 0.0, "a4": 109.006665697889 } }, { - "pk": 4441, + "pk": 3465, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 182, + "sidechain_ASN": 133, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.292724576589, @@ -333692,11 +262052,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4442, + "next": 3466, "sidechain_SER": null, "bm": 120.0, "xpr": false, - "prev": 4440, + "prev": 3464, "terminal_flag": false, "phi": 61.6948862978716, "chainID": "B", @@ -333731,7 +262091,7 @@ } }, { - "pk": 4442, + "pk": 3466, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -333753,15 +262113,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4443, + "next": 3467, "sidechain_SER": null, "bm": 118.0, "xpr": false, - "prev": 4441, + "prev": 3465, "terminal_flag": false, "phi": -140.711638518851, "chainID": "B", - "sidechain_GLN": 171, + "sidechain_GLN": 144, "ome": 178.60021631277, "chi2": -178.136687188829, "chi3": 72.4361818067996, @@ -333792,7 +262152,7 @@ } }, { - "pk": 4443, + "pk": 3467, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -333808,17 +262168,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.1464573929812, - "sidechain_PHE": 167, + "sidechain_PHE": 134, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4444, + "next": 3468, "sidechain_SER": null, "bm": 115.0, "xpr": false, - "prev": 4442, + "prev": 3466, "terminal_flag": false, "phi": -112.715578820913, "chainID": "B", @@ -333853,7 +262213,7 @@ } }, { - "pk": 4444, + "pk": 3468, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -333875,11 +262235,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4445, + "next": 3469, "sidechain_SER": null, "bm": 113.0, "xpr": false, - "prev": 4443, + "prev": 3467, "terminal_flag": false, "phi": -136.781028064509, "chainID": "B", @@ -333899,7 +262259,7 @@ "L1": 1.32962512153213, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 316, + "sidechain_GLU": 258, "omep": null, "ss": "E", "a3": 112.210595430762, @@ -333914,7 +262274,7 @@ } }, { - "pk": 4445, + "pk": 3469, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -333926,7 +262286,7 @@ "psi": 105.635000029051, "oldID": "1182", "bg": 104.95, - "sidechain_CYS": 80, + "sidechain_CYS": 62, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.4707771469362, @@ -333936,11 +262296,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4446, + "next": 3470, "sidechain_SER": null, "bm": 109.0, "xpr": false, - "prev": 4444, + "prev": 3468, "terminal_flag": false, "phi": -120.774366073401, "chainID": "B", @@ -333975,7 +262335,7 @@ } }, { - "pk": 4446, + "pk": 3470, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -333992,16 +262352,16 @@ "protein": "1TWF", "zeta": 34.7984889685772, "sidechain_PHE": null, - "sidechain_LYS": 287, + "sidechain_LYS": 208, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4447, + "next": 3471, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 4445, + "prev": 3469, "terminal_flag": false, "phi": -67.504442634603, "chainID": "B", @@ -334036,7 +262396,7 @@ } }, { - "pk": 4447, + "pk": 3471, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -334058,11 +262418,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4448, + "next": 3472, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 4446, + "prev": 3470, "terminal_flag": false, "phi": 78.2462418082171, "chainID": "B", @@ -334097,7 +262457,7 @@ } }, { - "pk": 4448, + "pk": 3472, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -334109,7 +262469,7 @@ "psi": -7.19193211435116, "oldID": "1185", "bg": 99.95, - "sidechain_CYS": 81, + "sidechain_CYS": 63, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.5066306867411, @@ -334119,11 +262479,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4449, + "next": 3473, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 4447, + "prev": 3471, "terminal_flag": false, "phi": -127.679972883383, "chainID": "B", @@ -334158,14 +262518,14 @@ } }, { - "pk": 4449, + "pk": 3473, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 275, + "sidechain_ASP": 222, "a6": 116.414709379574, "psi": 34.186419149315, "oldID": "1186", @@ -334180,11 +262540,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4450, + "next": 3474, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 4448, + "prev": 3472, "terminal_flag": false, "phi": 54.9447720826479, "chainID": "B", @@ -334219,12 +262579,12 @@ } }, { - "pk": 4450, + "pk": 3474, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 183, + "sidechain_ASN": 134, "chain": "1TWFB", "sidechain_ASP": null, "a6": 115.542686729623, @@ -334241,11 +262601,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4451, + "next": 3475, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 4449, + "prev": 3473, "terminal_flag": false, "phi": -105.037973829466, "chainID": "B", @@ -334280,7 +262640,7 @@ } }, { - "pk": 4451, + "pk": 3475, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -334297,16 +262657,16 @@ "protein": "1TWF", "zeta": 34.6138862647908, "sidechain_PHE": null, - "sidechain_LYS": 288, + "sidechain_LYS": 209, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4452, + "next": 3476, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 4450, + "prev": 3474, "terminal_flag": false, "phi": -138.050254035421, "chainID": "B", @@ -334341,7 +262701,7 @@ } }, { - "pk": 4452, + "pk": 3476, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -334354,7 +262714,7 @@ "oldID": "1189", "bg": 106.81, "sidechain_CYS": null, - "sidechain_ILE": 285, + "sidechain_ILE": 233, "protein": "1TWF", "zeta": 33.8802308660984, "sidechain_PHE": null, @@ -334363,11 +262723,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4453, + "next": 3477, "sidechain_SER": null, "bm": 102.0, "xpr": false, - "prev": 4451, + "prev": 3475, "terminal_flag": false, "phi": -99.3330481918416, "chainID": "B", @@ -334402,14 +262762,14 @@ } }, { - "pk": 4453, + "pk": 3477, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 276, + "sidechain_ASP": 223, "a6": 115.275412131474, "psi": 87.9065632800325, "oldID": "1190", @@ -334424,11 +262784,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4454, + "next": 3478, "sidechain_SER": null, "bm": 93.0, "xpr": false, - "prev": 4452, + "prev": 3476, "terminal_flag": false, "phi": -60.4364688263693, "chainID": "B", @@ -334463,7 +262823,7 @@ } }, { - "pk": 4454, + "pk": 3478, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -334476,7 +262836,7 @@ "oldID": "1191", "bg": 82.14, "sidechain_CYS": null, - "sidechain_ILE": 286, + "sidechain_ILE": 234, "protein": "1TWF", "zeta": 35.7497023469124, "sidechain_PHE": null, @@ -334485,11 +262845,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4455, + "next": 3479, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4453, + "prev": 3477, "terminal_flag": false, "phi": -145.291730596931, "chainID": "B", @@ -334524,7 +262884,7 @@ } }, { - "pk": 4455, + "pk": 3479, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -334546,11 +262906,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4456, + "next": 3480, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4454, + "prev": 3478, "terminal_flag": false, "phi": -137.117638231784, "chainID": "B", @@ -334569,7 +262929,7 @@ "a7": 123.266846328663, "L1": 1.33217532332359, "sidechain_ARG": null, - "sidechain_TYR": 139, + "sidechain_TYR": 96, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -334585,7 +262945,7 @@ } }, { - "pk": 4456, + "pk": 3480, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -334607,15 +262967,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4457, + "next": 3481, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4455, + "prev": 3479, "terminal_flag": false, "phi": -132.847700779298, "chainID": "B", - "sidechain_GLN": 172, + "sidechain_GLN": 145, "ome": 179.901432156127, "chi2": 176.203198408902, "chi3": 20.6428790064814, @@ -334646,7 +263006,7 @@ } }, { - "pk": 4457, + "pk": 3481, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -334659,7 +263019,7 @@ "oldID": "1194", "bg": 60.4, "sidechain_CYS": null, - "sidechain_ILE": 287, + "sidechain_ILE": 235, "protein": "1TWF", "zeta": 35.3201626660098, "sidechain_PHE": null, @@ -334668,11 +263028,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4458, + "next": 3482, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4456, + "prev": 3480, "terminal_flag": false, "phi": -144.082868733336, "chainID": "B", @@ -334707,7 +263067,7 @@ } }, { - "pk": 4458, + "pk": 3482, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -334729,11 +263089,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4459, + "next": 3483, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4457, + "prev": 3481, "terminal_flag": false, "phi": -117.992598645826, "chainID": "B", @@ -334762,13 +263122,13 @@ "a5": 120.301813786228, "sidechain_LEU": null, "chainIndex": 1065, - "sidechain_HIS": 122, + "sidechain_HIS": 100, "h_bond_energy": 0.0, "a4": 108.780646450003 } }, { - "pk": 4459, + "pk": 3483, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -334781,7 +263141,7 @@ "oldID": "1196", "bg": 55.02, "sidechain_CYS": null, - "sidechain_ILE": 288, + "sidechain_ILE": 236, "protein": "1TWF", "zeta": 34.7241565946185, "sidechain_PHE": null, @@ -334790,11 +263150,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4460, + "next": 3484, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4458, + "prev": 3482, "terminal_flag": false, "phi": -137.276380431827, "chainID": "B", @@ -334829,11 +263189,11 @@ } }, { - "pk": 4460, + "pk": 3484, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 223, + "sidechain_PRO": 167, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -334851,11 +263211,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4461, + "next": 3485, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 4459, + "prev": 3483, "terminal_flag": false, "phi": -52.6733905679999, "chainID": "B", @@ -334890,7 +263250,7 @@ } }, { - "pk": 4461, + "pk": 3485, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -334912,11 +263272,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4462, + "next": 3486, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4460, + "prev": 3484, "terminal_flag": false, "phi": -50.8263553208783, "chainID": "B", @@ -334935,7 +263295,7 @@ "a7": 123.006633224974, "L1": 1.33261952334855, "sidechain_ARG": null, - "sidechain_TYR": 140, + "sidechain_TYR": 97, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -334951,7 +263311,7 @@ } }, { - "pk": 4462, + "pk": 3486, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -334973,11 +263333,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4463, + "next": 3487, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4461, + "prev": 3485, "terminal_flag": false, "phi": -54.5035675188943, "chainID": "B", @@ -335012,7 +263372,7 @@ } }, { - "pk": 4463, + "pk": 3487, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -335034,11 +263394,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4464, + "next": 3488, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4462, + "prev": 3486, "terminal_flag": false, "phi": -73.755077767912, "chainID": "B", @@ -335073,7 +263433,7 @@ } }, { - "pk": 4464, + "pk": 3488, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -335090,16 +263450,16 @@ "protein": "1TWF", "zeta": 34.5236958873741, "sidechain_PHE": null, - "sidechain_LYS": 289, + "sidechain_LYS": 210, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4465, + "next": 3489, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4463, + "prev": 3487, "terminal_flag": false, "phi": -51.9876883142416, "chainID": "B", @@ -335134,7 +263494,7 @@ } }, { - "pk": 4465, + "pk": 3489, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -335156,11 +263516,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4466, + "next": 3490, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4464, + "prev": 3488, "terminal_flag": false, "phi": -69.7798498938684, "chainID": "B", @@ -335187,7 +263547,7 @@ "bs": 64.0, "a2": 110.818142347364, "a5": 120.587164895006, - "sidechain_LEU": 371, + "sidechain_LEU": 311, "chainIndex": 1072, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -335195,7 +263555,7 @@ } }, { - "pk": 4466, + "pk": 3490, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -335217,11 +263577,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4467, + "next": 3491, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4465, + "prev": 3489, "terminal_flag": false, "phi": -51.2585233794497, "chainID": "B", @@ -335248,7 +263608,7 @@ "bs": 59.0, "a2": 109.931601605546, "a5": 120.534523259124, - "sidechain_LEU": 372, + "sidechain_LEU": 312, "chainIndex": 1073, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -335256,7 +263616,7 @@ } }, { - "pk": 4467, + "pk": 3491, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -335272,17 +263632,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.3184003687563, - "sidechain_PHE": 168, + "sidechain_PHE": 135, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4468, + "next": 3492, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4466, + "prev": 3490, "terminal_flag": false, "phi": -80.5383980293763, "chainID": "B", @@ -335317,7 +263677,7 @@ } }, { - "pk": 4468, + "pk": 3492, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -335339,15 +263699,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4469, + "next": 3493, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4467, + "prev": 3491, "terminal_flag": false, "phi": -61.6057806902362, "chainID": "B", - "sidechain_GLN": 173, + "sidechain_GLN": 146, "ome": 178.25110970809, "chi2": 178.223920997611, "chi3": -53.3840728357884, @@ -335378,7 +263738,7 @@ } }, { - "pk": 4469, + "pk": 3493, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -335400,11 +263760,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4470, + "next": 3494, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4468, + "prev": 3492, "terminal_flag": false, "phi": -65.4227105610885, "chainID": "B", @@ -335424,7 +263784,7 @@ "L1": 1.3289860267337, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 317, + "sidechain_GLU": 259, "omep": null, "ss": "H", "a3": 109.483389957042, @@ -335439,7 +263799,7 @@ } }, { - "pk": 4470, + "pk": 3494, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -335461,11 +263821,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4471, + "next": 3495, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 4469, + "prev": 3493, "terminal_flag": false, "phi": -71.4224208115198, "chainID": "B", @@ -335492,7 +263852,7 @@ "bs": 58.0, "a2": 110.961693872641, "a5": 120.904453027839, - "sidechain_LEU": 373, + "sidechain_LEU": 313, "chainIndex": 1077, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -335500,7 +263860,7 @@ } }, { - "pk": 4471, + "pk": 3495, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -335519,14 +263879,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 126, + "sidechain_MET": 99, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4472, + "next": 3496, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4470, + "prev": 3494, "terminal_flag": false, "phi": -59.8266079612088, "chainID": "B", @@ -335561,7 +263921,7 @@ } }, { - "pk": 4472, + "pk": 3496, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -335583,11 +263943,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4473, + "next": 3497, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4471, + "prev": 3495, "terminal_flag": false, "phi": -58.5181075282843, "chainID": "B", @@ -335622,7 +263982,7 @@ } }, { - "pk": 4473, + "pk": 3497, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -335641,14 +264001,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 127, + "sidechain_MET": 100, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4474, + "next": 3498, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4472, + "prev": 3496, "terminal_flag": false, "phi": -91.9602417533481, "chainID": "B", @@ -335683,12 +264043,12 @@ } }, { - "pk": 4474, + "pk": 3498, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 184, + "sidechain_ASN": 135, "chain": "1TWFB", "sidechain_ASP": null, "a6": 116.469419564024, @@ -335705,11 +264065,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4475, + "next": 3499, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 4473, + "prev": 3497, "terminal_flag": false, "phi": 57.5904168562578, "chainID": "B", @@ -335744,7 +264104,7 @@ } }, { - "pk": 4475, + "pk": 3499, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -335757,7 +264117,7 @@ "oldID": "1212", "bg": 52.83, "sidechain_CYS": null, - "sidechain_ILE": 289, + "sidechain_ILE": 237, "protein": "1TWF", "zeta": 34.502655049952, "sidechain_PHE": null, @@ -335766,11 +264126,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4476, + "next": 3500, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4474, + "prev": 3498, "terminal_flag": false, "phi": -114.550310679301, "chainID": "B", @@ -335805,7 +264165,7 @@ } }, { - "pk": 4476, + "pk": 3500, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -335825,13 +264185,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 254, + "sidechain_THR": 193, "sidechain_TRP": null, - "next": 4477, + "next": 3501, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4475, + "prev": 3499, "terminal_flag": false, "phi": -91.4802382535474, "chainID": "B", @@ -335866,11 +264226,11 @@ } }, { - "pk": 4477, + "pk": 3501, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 224, + "sidechain_PRO": 168, "sidechain_ASN": null, "chain": "1TWFB", "sidechain_ASP": null, @@ -335888,11 +264248,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4478, + "next": 3502, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4476, + "prev": 3500, "terminal_flag": false, "phi": -98.1685908348673, "chainID": "B", @@ -335927,7 +264287,7 @@ } }, { - "pk": 4478, + "pk": 3502, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -335949,11 +264309,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4479, + "next": 3503, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4477, + "prev": 3501, "terminal_flag": false, "phi": -66.9537659867317, "chainID": "B", @@ -335971,7 +264331,7 @@ "L3": 1.53337870230985, "a7": 123.522069247457, "L1": 1.32975759893289, - "sidechain_ARG": 233, + "sidechain_ARG": 192, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -335988,7 +264348,7 @@ } }, { - "pk": 4479, + "pk": 3503, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -336010,11 +264370,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4480, + "next": 3504, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 4478, + "prev": 3502, "terminal_flag": false, "phi": -98.9735701156845, "chainID": "B", @@ -336041,7 +264401,7 @@ "bs": 53.0, "a2": 109.546570690706, "a5": 120.185573804165, - "sidechain_LEU": 374, + "sidechain_LEU": 314, "chainIndex": 1086, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -336049,7 +264409,7 @@ } }, { - "pk": 4480, + "pk": 3504, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -336071,11 +264431,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4481, + "next": 3505, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4479, + "prev": 3503, "terminal_flag": false, "phi": -111.225955571083, "chainID": "B", @@ -336094,7 +264454,7 @@ "a7": 122.849582107058, "L1": 1.33020787617776, "sidechain_ARG": null, - "sidechain_TYR": 141, + "sidechain_TYR": 98, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -336110,7 +264470,7 @@ } }, { - "pk": 4481, + "pk": 3505, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -336130,13 +264490,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 255, + "sidechain_THR": 194, "sidechain_TRP": null, - "next": 4482, + "next": 3506, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4480, + "prev": 3504, "terminal_flag": false, "phi": -80.7299977278697, "chainID": "B", @@ -336171,14 +264531,14 @@ } }, { - "pk": 4482, + "pk": 3506, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 277, + "sidechain_ASP": 224, "a6": 115.756367486892, "psi": 150.643339851806, "oldID": "1219", @@ -336193,11 +264553,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4483, + "next": 3507, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 4481, + "prev": 3505, "terminal_flag": false, "phi": -114.080230191773, "chainID": "B", @@ -336232,7 +264592,7 @@ } }, { - "pk": 4483, + "pk": 3507, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -336254,11 +264614,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4484, + "next": 3508, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 4482, + "prev": 3506, "terminal_flag": false, "phi": -94.8922602170701, "chainID": "B", @@ -336276,7 +264636,7 @@ "L3": 1.53060521732427, "a7": 123.091493448006, "L1": 1.32846422198909, - "sidechain_ARG": 234, + "sidechain_ARG": 193, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -336293,7 +264653,7 @@ } }, { - "pk": 4484, + "pk": 3508, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -336315,11 +264675,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4485, - "sidechain_SER": 234, + "next": 3509, + "sidechain_SER": 188, "bm": 124.0, "xpr": false, - "prev": 4483, + "prev": 3507, "terminal_flag": false, "phi": -66.7726960242161, "chainID": "B", @@ -336354,7 +264714,7 @@ } }, { - "pk": 4485, + "pk": 3509, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -336376,11 +264736,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4486, + "next": 3510, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 4484, + "prev": 3508, "terminal_flag": false, "phi": -60.8619927298591, "chainID": "B", @@ -336398,7 +264758,7 @@ "L3": 1.53542529206654, "a7": 122.961463806075, "L1": 1.33027767969018, - "sidechain_ARG": 235, + "sidechain_ARG": 194, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -336415,14 +264775,14 @@ } }, { - "pk": 4486, + "pk": 3510, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFB", - "sidechain_ASP": 278, + "sidechain_ASP": 225, "a6": 115.468959096747, "psi": -8.53434939156233, "oldID": "1223", @@ -336437,11 +264797,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4487, + "next": 3511, "sidechain_SER": null, "bm": 140.0, "xpr": false, - "prev": 4485, + "prev": 3509, "terminal_flag": false, "phi": -69.3159069696282, "chainID": "B", @@ -336476,7 +264836,7 @@ } }, { - "pk": 4487, + "pk": 3511, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -336492,7 +264852,7 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.758200898074, - "sidechain_PHE": 169, + "sidechain_PHE": 136, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, @@ -336502,7 +264862,7 @@ "sidechain_SER": null, "bm": 144.0, "xpr": false, - "prev": 4486, + "prev": 3510, "terminal_flag": true, "phi": -65.3986272052619, "chainID": "B", @@ -336537,7 +264897,7 @@ } }, { - "pk": 4488, + "pk": 3512, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -336554,12 +264914,12 @@ "protein": "1TWF", "zeta": 34.0475033843828, "sidechain_PHE": null, - "sidechain_LYS": 290, + "sidechain_LYS": 211, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4489, + "next": 3513, "sidechain_SER": null, "bm": 94.0, "xpr": false, @@ -336598,7 +264958,7 @@ } }, { - "pk": 4489, + "pk": 3513, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -336620,11 +264980,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4490, + "next": 3514, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4488, + "prev": 3512, "terminal_flag": false, "phi": 64.5683538193383, "chainID": "F", @@ -336659,7 +265019,7 @@ } }, { - "pk": 4490, + "pk": 3514, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -336672,7 +265032,7 @@ "oldID": "74", "bg": 80.79, "sidechain_CYS": null, - "sidechain_ILE": 290, + "sidechain_ILE": 238, "protein": "1TWF", "zeta": 35.2238786942635, "sidechain_PHE": null, @@ -336681,11 +265041,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4491, + "next": 3515, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 4489, + "prev": 3513, "terminal_flag": false, "phi": -139.744919532046, "chainID": "F", @@ -336720,11 +265080,11 @@ } }, { - "pk": 4491, + "pk": 3515, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 225, + "sidechain_PRO": 169, "sidechain_ASN": null, "chain": "1TWFF", "sidechain_ASP": null, @@ -336742,11 +265102,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4492, + "next": 3516, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 4490, + "prev": 3514, "terminal_flag": false, "phi": -49.6842635801524, "chainID": "F", @@ -336781,7 +265141,7 @@ } }, { - "pk": 4492, + "pk": 3516, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -336798,16 +265158,16 @@ "protein": "1TWF", "zeta": 33.8524578841896, "sidechain_PHE": null, - "sidechain_LYS": 291, + "sidechain_LYS": 212, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4493, + "next": 3517, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4491, + "prev": 3515, "terminal_flag": false, "phi": -55.450663512359, "chainID": "F", @@ -336842,14 +265202,14 @@ } }, { - "pk": 4493, + "pk": 3517, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFF", - "sidechain_ASP": 279, + "sidechain_ASP": 226, "a6": 116.757291675345, "psi": 164.143931928699, "oldID": "77", @@ -336864,11 +265224,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4494, + "next": 3518, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4492, + "prev": 3516, "terminal_flag": false, "phi": -100.520454967826, "chainID": "F", @@ -336903,7 +265263,7 @@ } }, { - "pk": 4494, + "pk": 3518, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -336925,15 +265285,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4495, + "next": 3519, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4493, + "prev": 3517, "terminal_flag": false, "phi": 71.5476491113182, "chainID": "F", - "sidechain_GLN": 174, + "sidechain_GLN": 147, "ome": 178.539526455979, "chi2": 177.17885638682, "chi3": -47.5917961899823, @@ -336964,7 +265324,7 @@ } }, { - "pk": 4495, + "pk": 3519, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -336986,11 +265346,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4496, + "next": 3520, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4494, + "prev": 3518, "terminal_flag": false, "phi": -80.7768293727516, "chainID": "F", @@ -337008,7 +265368,7 @@ "L3": 1.52538038933705, "a7": 122.54362669976, "L1": 1.33008949603078, - "sidechain_ARG": 236, + "sidechain_ARG": 195, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -337025,7 +265385,7 @@ } }, { - "pk": 4496, + "pk": 3520, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -337047,11 +265407,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4497, + "next": 3521, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4495, + "prev": 3519, "terminal_flag": false, "phi": -93.9335262564978, "chainID": "F", @@ -337086,7 +265446,7 @@ } }, { - "pk": 4497, + "pk": 3521, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -337106,13 +265466,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 256, + "sidechain_THR": 195, "sidechain_TRP": null, - "next": 4498, + "next": 3522, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4496, + "prev": 3520, "terminal_flag": false, "phi": -60.1903544775284, "chainID": "F", @@ -337147,7 +265507,7 @@ } }, { - "pk": 4498, + "pk": 3522, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -337167,13 +265527,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 257, + "sidechain_THR": 196, "sidechain_TRP": null, - "next": 4499, + "next": 3523, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4497, + "prev": 3521, "terminal_flag": false, "phi": -52.0957336304533, "chainID": "F", @@ -337208,11 +265568,11 @@ } }, { - "pk": 4499, + "pk": 3523, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 226, + "sidechain_PRO": 170, "sidechain_ASN": null, "chain": "1TWFF", "sidechain_ASP": null, @@ -337230,11 +265590,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4500, + "next": 3524, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4498, + "prev": 3522, "terminal_flag": false, "phi": -75.979868509177, "chainID": "F", @@ -337269,7 +265629,7 @@ } }, { - "pk": 4500, + "pk": 3524, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -337291,11 +265651,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4501, + "next": 3525, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4499, + "prev": 3523, "terminal_flag": false, "phi": -75.5039641181945, "chainID": "F", @@ -337314,7 +265674,7 @@ "a7": 122.059818594716, "L1": 1.3372255818828, "sidechain_ARG": null, - "sidechain_TYR": 142, + "sidechain_TYR": 99, "sidechain_GLU": null, "omep": null, "ss": "B", @@ -337330,7 +265690,7 @@ } }, { - "pk": 4501, + "pk": 3525, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -337349,14 +265709,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 128, + "sidechain_MET": 101, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4502, + "next": 3526, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4500, + "prev": 3524, "terminal_flag": false, "phi": -77.8258488091984, "chainID": "F", @@ -337391,7 +265751,7 @@ } }, { - "pk": 4502, + "pk": 3526, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -337411,13 +265771,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 258, + "sidechain_THR": 197, "sidechain_TRP": null, - "next": 4503, + "next": 3527, "sidechain_SER": null, "bm": 21.0, "xpr": false, - "prev": 4501, + "prev": 3525, "terminal_flag": false, "phi": -88.1628107331014, "chainID": "F", @@ -337452,7 +265812,7 @@ } }, { - "pk": 4503, + "pk": 3527, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -337469,16 +265829,16 @@ "protein": "1TWF", "zeta": 33.6882965714326, "sidechain_PHE": null, - "sidechain_LYS": 292, + "sidechain_LYS": 213, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4504, + "next": 3528, "sidechain_SER": null, "bm": 22.0, "xpr": false, - "prev": 4502, + "prev": 3526, "terminal_flag": false, "phi": -57.2880597467227, "chainID": "F", @@ -337513,7 +265873,7 @@ } }, { - "pk": 4504, + "pk": 3528, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -337535,11 +265895,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4505, + "next": 3529, "sidechain_SER": null, "bm": 24.0, "xpr": false, - "prev": 4503, + "prev": 3527, "terminal_flag": false, "phi": -65.5513132310881, "chainID": "F", @@ -337558,7 +265918,7 @@ "a7": 122.962039966644, "L1": 1.32617243617454, "sidechain_ARG": null, - "sidechain_TYR": 143, + "sidechain_TYR": 100, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -337574,7 +265934,7 @@ } }, { - "pk": 4505, + "pk": 3529, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -337596,11 +265956,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4506, + "next": 3530, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4504, + "prev": 3528, "terminal_flag": false, "phi": -47.1477000736789, "chainID": "F", @@ -337620,7 +265980,7 @@ "L1": 1.32666343141918, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 318, + "sidechain_GLU": 260, "omep": null, "ss": "H", "a3": 108.449246759681, @@ -337635,7 +265995,7 @@ } }, { - "pk": 4506, + "pk": 3530, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -337657,11 +266017,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4507, + "next": 3531, "sidechain_SER": null, "bm": 28.0, "xpr": false, - "prev": 4505, + "prev": 3529, "terminal_flag": false, "phi": -51.5947647471234, "chainID": "F", @@ -337679,7 +266039,7 @@ "L3": 1.5311953934788, "a7": 122.219576006247, "L1": 1.32736959312193, - "sidechain_ARG": 237, + "sidechain_ARG": 196, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -337696,7 +266056,7 @@ } }, { - "pk": 4507, + "pk": 3531, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -337718,11 +266078,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4508, + "next": 3532, "sidechain_SER": null, "bm": 27.0, "xpr": false, - "prev": 4506, + "prev": 3530, "terminal_flag": false, "phi": -60.5715872102216, "chainID": "F", @@ -337757,7 +266117,7 @@ } }, { - "pk": 4508, + "pk": 3532, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -337779,11 +266139,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4509, + "next": 3533, "sidechain_SER": null, "bm": 30.0, "xpr": false, - "prev": 4507, + "prev": 3531, "terminal_flag": false, "phi": -77.3263688938848, "chainID": "F", @@ -337801,7 +266161,7 @@ "L3": 1.53560170169733, "a7": 122.900308390017, "L1": 1.32744228473285, - "sidechain_ARG": 238, + "sidechain_ARG": 197, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -337818,7 +266178,7 @@ } }, { - "pk": 4509, + "pk": 3533, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -337831,7 +266191,7 @@ "oldID": "93", "bg": 37.39, "sidechain_CYS": null, - "sidechain_ILE": 291, + "sidechain_ILE": 239, "protein": "1TWF", "zeta": 33.4613008834807, "sidechain_PHE": null, @@ -337840,11 +266200,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4510, + "next": 3534, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4508, + "prev": 3532, "terminal_flag": false, "phi": -64.1601629923829, "chainID": "F", @@ -337879,7 +266239,7 @@ } }, { - "pk": 4510, + "pk": 3534, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -337901,11 +266261,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4511, + "next": 3535, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4509, + "prev": 3533, "terminal_flag": false, "phi": -64.7725160437213, "chainID": "F", @@ -337932,7 +266292,7 @@ "bs": 32.0, "a2": 110.863333320687, "a5": 120.732489016307, - "sidechain_LEU": 375, + "sidechain_LEU": 315, "chainIndex": 23, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -337940,7 +266300,7 @@ } }, { - "pk": 4511, + "pk": 3535, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -337962,11 +266322,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4512, + "next": 3536, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4510, + "prev": 3534, "terminal_flag": false, "phi": -85.3216959043157, "chainID": "F", @@ -338001,7 +266361,7 @@ } }, { - "pk": 4512, + "pk": 3536, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -338021,13 +266381,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 259, + "sidechain_THR": 198, "sidechain_TRP": null, - "next": 4513, + "next": 3537, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4511, + "prev": 3535, "terminal_flag": false, "phi": -68.4446480273227, "chainID": "F", @@ -338062,7 +266422,7 @@ } }, { - "pk": 4513, + "pk": 3537, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -338084,11 +266444,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4514, + "next": 3538, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4512, + "prev": 3536, "terminal_flag": false, "phi": -59.1951042069263, "chainID": "F", @@ -338106,7 +266466,7 @@ "L3": 1.52243067130633, "a7": 122.154624418252, "L1": 1.32381182865653, - "sidechain_ARG": 239, + "sidechain_ARG": 198, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -338123,7 +266483,7 @@ } }, { - "pk": 4514, + "pk": 3538, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -338145,11 +266505,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4515, + "next": 3539, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4513, + "prev": 3537, "terminal_flag": false, "phi": -68.4994909448429, "chainID": "F", @@ -338184,7 +266544,7 @@ } }, { - "pk": 4515, + "pk": 3539, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -338206,11 +266566,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4516, + "next": 3540, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4514, + "prev": 3538, "terminal_flag": false, "phi": -67.0311376418871, "chainID": "F", @@ -338237,7 +266597,7 @@ "bs": 34.0, "a2": 110.430483572151, "a5": 120.910154190939, - "sidechain_LEU": 376, + "sidechain_LEU": 316, "chainIndex": 28, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -338245,7 +266605,7 @@ } }, { - "pk": 4516, + "pk": 3540, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -338267,15 +266627,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4517, + "next": 3541, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4515, + "prev": 3539, "terminal_flag": false, "phi": -71.9964433348035, "chainID": "F", - "sidechain_GLN": 175, + "sidechain_GLN": 148, "ome": 179.415460403471, "chi2": 167.483634974975, "chi3": -33.7584671224865, @@ -338306,7 +266666,7 @@ } }, { - "pk": 4517, + "pk": 3541, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -338319,7 +266679,7 @@ "oldID": "101", "bg": 36.67, "sidechain_CYS": null, - "sidechain_ILE": 292, + "sidechain_ILE": 240, "protein": "1TWF", "zeta": 33.6152633549068, "sidechain_PHE": null, @@ -338328,11 +266688,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4518, + "next": 3542, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4516, + "prev": 3540, "terminal_flag": false, "phi": -66.5148504720346, "chainID": "F", @@ -338367,7 +266727,7 @@ } }, { - "pk": 4518, + "pk": 3542, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -338389,11 +266749,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4519, - "sidechain_SER": 235, + "next": 3543, + "sidechain_SER": 189, "bm": 46.0, "xpr": false, - "prev": 4517, + "prev": 3541, "terminal_flag": false, "phi": -70.0174102469616, "chainID": "F", @@ -338428,7 +266788,7 @@ } }, { - "pk": 4519, + "pk": 3543, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -338447,14 +266807,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 129, + "sidechain_MET": 102, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4520, + "next": 3544, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4518, + "prev": 3542, "terminal_flag": false, "phi": -98.0743762915092, "chainID": "F", @@ -338489,12 +266849,12 @@ } }, { - "pk": 4520, + "pk": 3544, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 185, + "sidechain_ASN": 136, "chain": "1TWFF", "sidechain_ASP": null, "a6": 117.217416885282, @@ -338511,11 +266871,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4521, + "next": 3545, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4519, + "prev": 3543, "terminal_flag": false, "phi": 64.96119873239, "chainID": "F", @@ -338550,7 +266910,7 @@ } }, { - "pk": 4521, + "pk": 3545, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -338572,11 +266932,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4522, + "next": 3546, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4520, + "prev": 3544, "terminal_flag": false, "phi": -69.4913295465701, "chainID": "F", @@ -338611,11 +266971,11 @@ } }, { - "pk": 4522, + "pk": 3546, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 227, + "sidechain_PRO": 171, "sidechain_ASN": null, "chain": "1TWFF", "sidechain_ASP": null, @@ -338633,11 +266993,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4523, + "next": 3547, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4521, + "prev": 3545, "terminal_flag": false, "phi": -61.0068575603386, "chainID": "F", @@ -338672,7 +267032,7 @@ } }, { - "pk": 4523, + "pk": 3547, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -338690,15 +267050,15 @@ "zeta": 35.097550107169, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 298, + "sidechain_VAL": 246, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4524, + "next": 3548, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4522, + "prev": 3546, "terminal_flag": false, "phi": -106.741959799922, "chainID": "F", @@ -338733,7 +267093,7 @@ } }, { - "pk": 4524, + "pk": 3548, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -338749,17 +267109,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.2719490127, - "sidechain_PHE": 170, + "sidechain_PHE": 137, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4525, + "next": 3549, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4523, + "prev": 3547, "terminal_flag": false, "phi": -101.314669680814, "chainID": "F", @@ -338794,7 +267154,7 @@ } }, { - "pk": 4525, + "pk": 3549, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -338812,15 +267172,15 @@ "zeta": 34.4929256576859, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 299, + "sidechain_VAL": 247, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4526, + "next": 3550, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 4524, + "prev": 3548, "terminal_flag": false, "phi": -111.4891936364, "chainID": "F", @@ -338855,14 +267215,14 @@ } }, { - "pk": 4526, + "pk": 3550, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFF", - "sidechain_ASP": 280, + "sidechain_ASP": 227, "a6": 117.166626751836, "psi": 117.441076950936, "oldID": "110", @@ -338877,11 +267237,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4527, + "next": 3551, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4525, + "prev": 3549, "terminal_flag": false, "phi": -63.034323137065, "chainID": "F", @@ -338916,7 +267276,7 @@ } }, { - "pk": 4527, + "pk": 3551, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -338938,11 +267298,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4528, + "next": 3552, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4526, + "prev": 3550, "terminal_flag": false, "phi": -75.9597894903051, "chainID": "F", @@ -338969,7 +267329,7 @@ "bs": 74.0, "a2": 111.538440555033, "a5": 121.061400020332, - "sidechain_LEU": 377, + "sidechain_LEU": 317, "chainIndex": 40, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -338977,7 +267337,7 @@ } }, { - "pk": 4528, + "pk": 3552, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -338999,11 +267359,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4529, + "next": 3553, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 4527, + "prev": 3551, "terminal_flag": false, "phi": -84.9975371888355, "chainID": "F", @@ -339023,7 +267383,7 @@ "L1": 1.32245647220694, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 319, + "sidechain_GLU": 261, "omep": null, "ss": "S", "a3": 110.671319717996, @@ -339038,7 +267398,7 @@ } }, { - "pk": 4529, + "pk": 3553, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -339060,11 +267420,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4530, + "next": 3554, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4528, + "prev": 3552, "terminal_flag": false, "phi": 106.434406624049, "chainID": "F", @@ -339099,7 +267459,7 @@ } }, { - "pk": 4530, + "pk": 3554, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -339121,11 +267481,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4531, + "next": 3555, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4529, + "prev": 3553, "terminal_flag": false, "phi": -41.3843980555616, "chainID": "F", @@ -339145,7 +267505,7 @@ "L1": 1.33322037653972, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 320, + "sidechain_GLU": 262, "omep": null, "ss": "-", "a3": 113.06650880226, @@ -339160,7 +267520,7 @@ } }, { - "pk": 4531, + "pk": 3555, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -339180,13 +267540,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 260, + "sidechain_THR": 199, "sidechain_TRP": null, - "next": 4532, + "next": 3556, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4530, + "prev": 3554, "terminal_flag": false, "phi": -130.795931027426, "chainID": "F", @@ -339221,14 +267581,14 @@ } }, { - "pk": 4532, + "pk": 3556, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFF", - "sidechain_ASP": 281, + "sidechain_ASP": 228, "a6": 116.814961251469, "psi": 121.674716107578, "oldID": "116", @@ -339243,11 +267603,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4533, + "next": 3557, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4531, + "prev": 3555, "terminal_flag": false, "phi": -70.0123698087604, "chainID": "F", @@ -339282,11 +267642,11 @@ } }, { - "pk": 4533, + "pk": 3557, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 228, + "sidechain_PRO": 172, "sidechain_ASN": null, "chain": "1TWFF", "sidechain_ASP": null, @@ -339304,11 +267664,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4534, + "next": 3558, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4532, + "prev": 3556, "terminal_flag": false, "phi": -45.8536597174184, "chainID": "F", @@ -339343,7 +267703,7 @@ } }, { - "pk": 4534, + "pk": 3558, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -339365,11 +267725,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4535, + "next": 3559, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4533, + "prev": 3557, "terminal_flag": false, "phi": -55.5473598849385, "chainID": "F", @@ -339396,7 +267756,7 @@ "bs": 36.0, "a2": 111.191850481414, "a5": 120.824630287606, - "sidechain_LEU": 378, + "sidechain_LEU": 318, "chainIndex": 47, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -339404,7 +267764,7 @@ } }, { - "pk": 4535, + "pk": 3559, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -339426,11 +267786,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4536, + "next": 3560, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4534, + "prev": 3558, "terminal_flag": false, "phi": -59.8722044974099, "chainID": "F", @@ -339448,7 +267808,7 @@ "L3": 1.53194323808425, "a7": 123.569511587658, "L1": 1.32958865739295, - "sidechain_ARG": 240, + "sidechain_ARG": 199, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -339465,7 +267825,7 @@ } }, { - "pk": 4536, + "pk": 3560, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -339478,7 +267838,7 @@ "oldID": "120", "bg": 46.62, "sidechain_CYS": null, - "sidechain_ILE": 293, + "sidechain_ILE": 241, "protein": "1TWF", "zeta": 35.2516882795704, "sidechain_PHE": null, @@ -339487,11 +267847,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4537, + "next": 3561, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4535, + "prev": 3559, "terminal_flag": false, "phi": -80.0967515367873, "chainID": "F", @@ -339526,7 +267886,7 @@ } }, { - "pk": 4537, + "pk": 3561, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -339548,11 +267908,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4538, + "next": 3562, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4536, + "prev": 3560, "terminal_flag": false, "phi": -50.8954236890051, "chainID": "F", @@ -339587,7 +267947,7 @@ } }, { - "pk": 4538, + "pk": 3562, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -339606,14 +267966,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 130, + "sidechain_MET": 103, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4539, + "next": 3563, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4537, + "prev": 3561, "terminal_flag": false, "phi": -62.5250872748133, "chainID": "F", @@ -339648,7 +268008,7 @@ } }, { - "pk": 4539, + "pk": 3563, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -339665,16 +268025,16 @@ "protein": "1TWF", "zeta": 34.1948303807869, "sidechain_PHE": null, - "sidechain_LYS": 293, + "sidechain_LYS": 214, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4540, + "next": 3564, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4538, + "prev": 3562, "terminal_flag": false, "phi": -68.9196564075234, "chainID": "F", @@ -339709,7 +268069,7 @@ } }, { - "pk": 4540, + "pk": 3564, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -339731,11 +268091,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4541, + "next": 3565, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4539, + "prev": 3563, "terminal_flag": false, "phi": -71.673395288193, "chainID": "F", @@ -339755,7 +268115,7 @@ "L1": 1.32786097348265, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 321, + "sidechain_GLU": 263, "omep": null, "ss": "H", "a3": 110.864164589994, @@ -339770,7 +268130,7 @@ } }, { - "pk": 4541, + "pk": 3565, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -339792,11 +268152,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4542, + "next": 3566, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4540, + "prev": 3564, "terminal_flag": false, "phi": -67.2245757930486, "chainID": "F", @@ -339823,7 +268183,7 @@ "bs": 45.0, "a2": 110.997052110431, "a5": 120.496303969526, - "sidechain_LEU": 379, + "sidechain_LEU": 319, "chainIndex": 54, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -339831,7 +268191,7 @@ } }, { - "pk": 4542, + "pk": 3566, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -339853,11 +268213,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4543, + "next": 3567, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4541, + "prev": 3565, "terminal_flag": false, "phi": -64.8005035377011, "chainID": "F", @@ -339892,7 +268252,7 @@ } }, { - "pk": 4543, + "pk": 3567, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -339914,11 +268274,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4544, + "next": 3568, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4542, + "prev": 3566, "terminal_flag": false, "phi": -75.2428616228724, "chainID": "F", @@ -339938,7 +268298,7 @@ "L1": 1.32788310453618, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 322, + "sidechain_GLU": 264, "omep": null, "ss": "T", "a3": 111.688121489932, @@ -339953,7 +268313,7 @@ } }, { - "pk": 4544, + "pk": 3568, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -339970,16 +268330,16 @@ "protein": "1TWF", "zeta": 34.373593323641, "sidechain_PHE": null, - "sidechain_LYS": 294, + "sidechain_LYS": 215, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4545, + "next": 3569, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4543, + "prev": 3567, "terminal_flag": false, "phi": 52.8178723467315, "chainID": "F", @@ -340014,7 +268374,7 @@ } }, { - "pk": 4545, + "pk": 3569, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -340031,16 +268391,16 @@ "protein": "1TWF", "zeta": 33.9972609347649, "sidechain_PHE": null, - "sidechain_LYS": 295, + "sidechain_LYS": 216, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4546, + "next": 3570, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4544, + "prev": 3568, "terminal_flag": false, "phi": -122.506662130719, "chainID": "F", @@ -340075,7 +268435,7 @@ } }, { - "pk": 4546, + "pk": 3570, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -340088,7 +268448,7 @@ "oldID": "130", "bg": 53.13, "sidechain_CYS": null, - "sidechain_ILE": 294, + "sidechain_ILE": 242, "protein": "1TWF", "zeta": 34.2816281891092, "sidechain_PHE": null, @@ -340097,11 +268457,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4547, + "next": 3571, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4545, + "prev": 3569, "terminal_flag": false, "phi": -112.129597471971, "chainID": "F", @@ -340136,11 +268496,11 @@ } }, { - "pk": 4547, + "pk": 3571, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 229, + "sidechain_PRO": 173, "sidechain_ASN": null, "chain": "1TWFF", "sidechain_ASP": null, @@ -340158,11 +268518,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4548, + "next": 3572, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4546, + "prev": 3570, "terminal_flag": false, "phi": -74.5626545321892, "chainID": "F", @@ -340197,7 +268557,7 @@ } }, { - "pk": 4548, + "pk": 3572, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -340219,11 +268579,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4549, + "next": 3573, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4547, + "prev": 3571, "terminal_flag": false, "phi": -121.260590057241, "chainID": "F", @@ -340250,7 +268610,7 @@ "bs": 46.0, "a2": 110.413452591351, "a5": 121.134214288777, - "sidechain_LEU": 380, + "sidechain_LEU": 320, "chainIndex": 61, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -340258,7 +268618,7 @@ } }, { - "pk": 4549, + "pk": 3573, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -340276,15 +268636,15 @@ "zeta": 34.6975003716712, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 300, + "sidechain_VAL": 248, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4550, + "next": 3574, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4548, + "prev": 3572, "terminal_flag": false, "phi": -135.517783714772, "chainID": "F", @@ -340319,7 +268679,7 @@ } }, { - "pk": 4550, + "pk": 3574, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -340332,7 +268692,7 @@ "oldID": "134", "bg": 39.95, "sidechain_CYS": null, - "sidechain_ILE": 295, + "sidechain_ILE": 243, "protein": "1TWF", "zeta": 34.6383328692951, "sidechain_PHE": null, @@ -340341,11 +268701,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4551, + "next": 3575, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4549, + "prev": 3573, "terminal_flag": false, "phi": -96.5192338275813, "chainID": "F", @@ -340380,7 +268740,7 @@ } }, { - "pk": 4551, + "pk": 3575, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -340402,11 +268762,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4552, + "next": 3576, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4550, + "prev": 3574, "terminal_flag": false, "phi": -101.215766191512, "chainID": "F", @@ -340424,7 +268784,7 @@ "L3": 1.53374568890075, "a7": 123.158947600887, "L1": 1.3275428676456, - "sidechain_ARG": 241, + "sidechain_ARG": 200, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -340441,7 +268801,7 @@ } }, { - "pk": 4552, + "pk": 3576, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -340463,11 +268823,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4553, + "next": 3577, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4551, + "prev": 3575, "terminal_flag": false, "phi": -74.0441602939297, "chainID": "F", @@ -340485,7 +268845,7 @@ "L3": 1.52238826149754, "a7": 122.302087873492, "L1": 1.33075895747547, - "sidechain_ARG": 242, + "sidechain_ARG": 201, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -340502,7 +268862,7 @@ } }, { - "pk": 4553, + "pk": 3577, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -340524,11 +268884,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4554, + "next": 3578, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4552, + "prev": 3576, "terminal_flag": false, "phi": -81.6817421283239, "chainID": "F", @@ -340547,7 +268907,7 @@ "a7": 122.219453881594, "L1": 1.32907411688897, "sidechain_ARG": null, - "sidechain_TYR": 144, + "sidechain_TYR": 101, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -340563,7 +268923,7 @@ } }, { - "pk": 4554, + "pk": 3578, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -340585,11 +268945,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4555, + "next": 3579, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4553, + "prev": 3577, "terminal_flag": false, "phi": -96.1290480786, "chainID": "F", @@ -340616,7 +268976,7 @@ "bs": 48.0, "a2": 111.285123494443, "a5": 120.413421899872, - "sidechain_LEU": 381, + "sidechain_LEU": 321, "chainIndex": 67, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -340624,11 +268984,11 @@ } }, { - "pk": 4555, + "pk": 3579, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 230, + "sidechain_PRO": 174, "sidechain_ASN": null, "chain": "1TWFF", "sidechain_ASP": null, @@ -340646,11 +269006,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4556, + "next": 3580, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4554, + "prev": 3578, "terminal_flag": false, "phi": -51.1418329704618, "chainID": "F", @@ -340685,14 +269045,14 @@ } }, { - "pk": 4556, + "pk": 3580, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFF", - "sidechain_ASP": 282, + "sidechain_ASP": 229, "a6": 117.70324139236, "psi": -3.32440700193875, "oldID": "140", @@ -340707,11 +269067,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4557, + "next": 3581, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 4555, + "prev": 3579, "terminal_flag": false, "phi": -87.2892473565118, "chainID": "F", @@ -340746,7 +269106,7 @@ } }, { - "pk": 4557, + "pk": 3581, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -340768,11 +269128,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4558, + "next": 3582, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 4556, + "prev": 3580, "terminal_flag": false, "phi": 115.696795265747, "chainID": "F", @@ -340807,7 +269167,7 @@ } }, { - "pk": 4558, + "pk": 3582, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -340829,11 +269189,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4559, - "sidechain_SER": 236, + "next": 3583, + "sidechain_SER": 190, "bm": 54.0, "xpr": false, - "prev": 4557, + "prev": 3581, "terminal_flag": false, "phi": -59.6035155279739, "chainID": "F", @@ -340868,7 +269228,7 @@ } }, { - "pk": 4559, + "pk": 3583, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -340884,17 +269244,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.186103634002, - "sidechain_PHE": 171, + "sidechain_PHE": 138, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4560, + "next": 3584, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4558, + "prev": 3582, "terminal_flag": false, "phi": -160.499982188881, "chainID": "F", @@ -340929,7 +269289,7 @@ } }, { - "pk": 4560, + "pk": 3584, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -340951,11 +269311,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4561, + "next": 3585, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4559, + "prev": 3583, "terminal_flag": false, "phi": -117.206685853307, "chainID": "F", @@ -340975,7 +269335,7 @@ "L1": 1.32539673895671, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 323, + "sidechain_GLU": 265, "omep": null, "ss": "E", "a3": 108.42112851121, @@ -340990,14 +269350,14 @@ } }, { - "pk": 4561, + "pk": 3585, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFF", - "sidechain_ASP": 283, + "sidechain_ASP": 230, "a6": 116.809439816692, "psi": 114.991175728787, "oldID": "145", @@ -341012,11 +269372,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4562, + "next": 3586, "sidechain_SER": null, "bm": 44.0, "xpr": false, - "prev": 4560, + "prev": 3584, "terminal_flag": false, "phi": -110.424153859994, "chainID": "F", @@ -341051,7 +269411,7 @@ } }, { - "pk": 4562, + "pk": 3586, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -341072,12 +269432,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 61, - "next": 4563, + "sidechain_TRP": 29, + "next": 3587, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4561, + "prev": 3585, "terminal_flag": false, "phi": -115.488419760904, "chainID": "F", @@ -341112,7 +269472,7 @@ } }, { - "pk": 4563, + "pk": 3587, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -341134,11 +269494,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4564, - "sidechain_SER": 237, + "next": 3588, + "sidechain_SER": 191, "bm": 41.0, "xpr": false, - "prev": 4562, + "prev": 3586, "terminal_flag": false, "phi": -89.6906385148082, "chainID": "F", @@ -341173,7 +269533,7 @@ } }, { - "pk": 4564, + "pk": 3588, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -341191,15 +269551,15 @@ "zeta": 34.1200269718226, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 301, + "sidechain_VAL": 249, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4565, + "next": 3589, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4563, + "prev": 3587, "terminal_flag": false, "phi": -52.2994709817057, "chainID": "F", @@ -341234,7 +269594,7 @@ } }, { - "pk": 4565, + "pk": 3589, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -341256,11 +269616,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4566, + "next": 3590, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4564, + "prev": 3588, "terminal_flag": false, "phi": -49.142741515266, "chainID": "F", @@ -341280,7 +269640,7 @@ "L1": 1.32699556257274, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 324, + "sidechain_GLU": 266, "omep": null, "ss": "T", "a3": 111.193784680776, @@ -341295,7 +269655,7 @@ } }, { - "pk": 4566, + "pk": 3590, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -341317,11 +269677,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4567, + "next": 3591, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4565, + "prev": 3589, "terminal_flag": false, "phi": -61.8791915298758, "chainID": "F", @@ -341341,7 +269701,7 @@ "L1": 1.32869329988316, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 325, + "sidechain_GLU": 267, "omep": null, "ss": "T", "a3": 112.42302674791, @@ -341356,7 +269716,7 @@ } }, { - "pk": 4567, + "pk": 3591, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -341378,11 +269738,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4568, + "next": 3592, "sidechain_SER": null, "bm": 42.0, "xpr": false, - "prev": 4566, + "prev": 3590, "terminal_flag": false, "phi": -54.8845197685331, "chainID": "F", @@ -341409,7 +269769,7 @@ "bs": 42.0, "a2": 110.180564037661, "a5": 121.31540723101, - "sidechain_LEU": 382, + "sidechain_LEU": 322, "chainIndex": 80, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -341417,7 +269777,7 @@ } }, { - "pk": 4568, + "pk": 3592, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -341430,7 +269790,7 @@ "oldID": "152", "bg": 41.08, "sidechain_CYS": null, - "sidechain_ILE": 296, + "sidechain_ILE": 244, "protein": "1TWF", "zeta": 35.8748750863417, "sidechain_PHE": null, @@ -341439,11 +269799,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4569, + "next": 3593, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4567, + "prev": 3591, "terminal_flag": false, "phi": -79.3981212509137, "chainID": "F", @@ -341478,7 +269838,7 @@ } }, { - "pk": 4569, + "pk": 3593, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -341496,15 +269856,15 @@ "zeta": 34.8769509962962, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 302, + "sidechain_VAL": 250, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4570, + "next": 3594, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4568, + "prev": 3592, "terminal_flag": false, "phi": -94.5414393127995, "chainID": "F", @@ -341539,14 +269899,14 @@ } }, { - "pk": 4570, + "pk": 3594, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFF", - "sidechain_ASP": 284, + "sidechain_ASP": 231, "a6": 117.530765427375, "psi": 91.3054639176851, "oldID": "154", @@ -341561,11 +269921,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4571, + "next": 3595, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4569, + "prev": 3593, "terminal_flag": false, "phi": -162.094016216144, "chainID": "F", @@ -341600,7 +269960,7 @@ } }, { - "pk": 4571, + "pk": 3595, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -341626,7 +269986,7 @@ "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4570, + "prev": 3594, "terminal_flag": false, "phi": -124.416870614338, "chainID": "F", @@ -341653,7 +270013,7 @@ "bs": 74.0, "a2": 109.627591173503, "a5": 118.748098965031, - "sidechain_LEU": 383, + "sidechain_LEU": 323, "chainIndex": 84, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -341661,7 +270021,7 @@ } }, { - "pk": 4572, + "pk": 3596, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -341680,10 +270040,10 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 131, + "sidechain_MET": 104, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4573, + "next": 3597, "sidechain_SER": null, "bm": 104.0, "xpr": false, @@ -341722,7 +270082,7 @@ } }, { - "pk": 4573, + "pk": 3597, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -341742,13 +270102,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 261, + "sidechain_THR": 200, "sidechain_TRP": null, - "next": 4574, + "next": 3598, "sidechain_SER": null, "bm": 102.0, "xpr": false, - "prev": 4572, + "prev": 3596, "terminal_flag": false, "phi": -108.061741327208, "chainID": "I", @@ -341783,7 +270143,7 @@ } }, { - "pk": 4574, + "pk": 3598, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -341803,13 +270163,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 262, + "sidechain_THR": 201, "sidechain_TRP": null, - "next": 4575, + "next": 3599, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4573, + "prev": 3597, "terminal_flag": false, "phi": -64.3618877043145, "chainID": "I", @@ -341844,7 +270204,7 @@ } }, { - "pk": 4575, + "pk": 3599, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -341860,17 +270220,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.34886483192, - "sidechain_PHE": 172, + "sidechain_PHE": 139, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4576, + "next": 3600, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4574, + "prev": 3598, "terminal_flag": false, "phi": -84.8079196966771, "chainID": "I", @@ -341905,7 +270265,7 @@ } }, { - "pk": 4576, + "pk": 3600, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -341927,11 +270287,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4577, + "next": 3601, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 4575, + "prev": 3599, "terminal_flag": false, "phi": -107.937110621073, "chainID": "I", @@ -341949,7 +270309,7 @@ "L3": 1.52904232762227, "a7": 123.221394013296, "L1": 1.33119495166104, - "sidechain_ARG": 243, + "sidechain_ARG": 202, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -341966,7 +270326,7 @@ } }, { - "pk": 4577, + "pk": 3601, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -341982,17 +270342,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8899236168954, - "sidechain_PHE": 173, + "sidechain_PHE": 140, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4578, + "next": 3602, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 4576, + "prev": 3600, "terminal_flag": false, "phi": -109.029286168641, "chainID": "I", @@ -342027,7 +270387,7 @@ } }, { - "pk": 4578, + "pk": 3602, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -342039,7 +270399,7 @@ "psi": 146.308821776534, "oldID": "7", "bg": 53.15, - "sidechain_CYS": 82, + "sidechain_CYS": 64, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7239626214201, @@ -342049,11 +270409,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4579, + "next": 3603, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 4577, + "prev": 3601, "terminal_flag": false, "phi": -59.3954871905639, "chainID": "I", @@ -342088,7 +270448,7 @@ } }, { - "pk": 4579, + "pk": 3603, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -342110,11 +270470,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4580, + "next": 3604, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 4578, + "prev": 3602, "terminal_flag": false, "phi": -77.8208929826814, "chainID": "I", @@ -342132,7 +270492,7 @@ "L3": 1.53044566263879, "a7": 122.937890870007, "L1": 1.32950523077809, - "sidechain_ARG": 244, + "sidechain_ARG": 203, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -342149,14 +270509,14 @@ } }, { - "pk": 4580, + "pk": 3604, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFI", - "sidechain_ASP": 285, + "sidechain_ASP": 232, "a6": 117.640276917473, "psi": -57.3065428603576, "oldID": "9", @@ -342171,11 +270531,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4581, + "next": 3605, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4579, + "prev": 3603, "terminal_flag": false, "phi": -99.556023762549, "chainID": "I", @@ -342210,7 +270570,7 @@ } }, { - "pk": 4581, + "pk": 3605, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -342222,7 +270582,7 @@ "psi": -0.236917577461043, "oldID": "10", "bg": 57.88, - "sidechain_CYS": 83, + "sidechain_CYS": 65, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.0500220686002, @@ -342232,11 +270592,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4582, + "next": 3606, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4580, + "prev": 3604, "terminal_flag": false, "phi": -99.105181509425, "chainID": "I", @@ -342271,12 +270631,12 @@ } }, { - "pk": 4582, + "pk": 3606, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 186, + "sidechain_ASN": 137, "chain": "1TWFI", "sidechain_ASP": null, "a6": 118.12734137482, @@ -342293,11 +270653,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4583, + "next": 3607, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4581, + "prev": 3605, "terminal_flag": false, "phi": 57.5930001135151, "chainID": "I", @@ -342332,12 +270692,12 @@ } }, { - "pk": 4583, + "pk": 3607, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 187, + "sidechain_ASN": 138, "chain": "1TWFI", "sidechain_ASP": null, "a6": 116.419107231689, @@ -342354,11 +270714,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4584, + "next": 3608, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4582, + "prev": 3606, "terminal_flag": false, "phi": -98.4779430929787, "chainID": "I", @@ -342393,7 +270753,7 @@ } }, { - "pk": 4584, + "pk": 3608, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -342412,14 +270772,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 132, + "sidechain_MET": 105, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4585, + "next": 3609, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4583, + "prev": 3607, "terminal_flag": false, "phi": -57.9960930393063, "chainID": "I", @@ -342454,7 +270814,7 @@ } }, { - "pk": 4585, + "pk": 3609, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -342476,11 +270836,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4586, + "next": 3610, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 4584, + "prev": 3608, "terminal_flag": false, "phi": -90.5331002891461, "chainID": "I", @@ -342507,7 +270867,7 @@ "bs": 47.0, "a2": 110.041937789222, "a5": 120.495745794957, - "sidechain_LEU": 384, + "sidechain_LEU": 324, "chainIndex": 14, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -342515,7 +270875,7 @@ } }, { - "pk": 4586, + "pk": 3610, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -342537,11 +270897,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4587, + "next": 3611, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4585, + "prev": 3609, "terminal_flag": false, "phi": -119.943330633265, "chainID": "I", @@ -342560,7 +270920,7 @@ "a7": 122.021822293997, "L1": 1.33101814584489, "sidechain_ARG": null, - "sidechain_TYR": 145, + "sidechain_TYR": 102, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -342576,11 +270936,11 @@ } }, { - "pk": 4587, + "pk": 3611, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 231, + "sidechain_PRO": 175, "sidechain_ASN": null, "chain": "1TWFI", "sidechain_ASP": null, @@ -342598,11 +270958,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4588, + "next": 3612, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 4586, + "prev": 3610, "terminal_flag": false, "phi": -63.6692652193556, "chainID": "I", @@ -342637,7 +270997,7 @@ } }, { - "pk": 4588, + "pk": 3612, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -342659,11 +271019,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4589, + "next": 3613, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4587, + "prev": 3611, "terminal_flag": false, "phi": -147.163039449323, "chainID": "I", @@ -342681,7 +271041,7 @@ "L3": 1.52918563579404, "a7": 122.936257585793, "L1": 1.33013899292518, - "sidechain_ARG": 245, + "sidechain_ARG": 204, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -342698,7 +271058,7 @@ } }, { - "pk": 4589, + "pk": 3613, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -342720,11 +271080,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4590, + "next": 3614, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4588, + "prev": 3612, "terminal_flag": false, "phi": -96.0910760280946, "chainID": "I", @@ -342744,7 +271104,7 @@ "L1": 1.32938186817307, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 326, + "sidechain_GLU": 268, "omep": null, "ss": "E", "a3": 114.596886929865, @@ -342759,14 +271119,14 @@ } }, { - "pk": 4590, + "pk": 3614, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFI", - "sidechain_ASP": 286, + "sidechain_ASP": 233, "a6": 116.03745038218, "psi": 91.9553549691956, "oldID": "19", @@ -342781,11 +271141,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4591, + "next": 3615, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4589, + "prev": 3613, "terminal_flag": false, "phi": -89.8791886625862, "chainID": "I", @@ -342820,7 +271180,7 @@ } }, { - "pk": 4591, + "pk": 3615, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -342837,16 +271197,16 @@ "protein": "1TWF", "zeta": 33.9803061506311, "sidechain_PHE": null, - "sidechain_LYS": 296, + "sidechain_LYS": 217, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4592, + "next": 3616, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4590, + "prev": 3614, "terminal_flag": false, "phi": -58.7542759024672, "chainID": "I", @@ -342881,7 +271241,7 @@ } }, { - "pk": 4592, + "pk": 3616, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -342903,11 +271263,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4593, + "next": 3617, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 4591, + "prev": 3615, "terminal_flag": false, "phi": -108.809164199059, "chainID": "I", @@ -342927,7 +271287,7 @@ "L1": 1.32863373161116, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 327, + "sidechain_GLU": 269, "omep": null, "ss": "T", "a3": 112.513769974752, @@ -342942,12 +271302,12 @@ } }, { - "pk": 4593, + "pk": 3617, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 188, + "sidechain_ASN": 139, "chain": "1TWFI", "sidechain_ASP": null, "a6": 115.448683519945, @@ -342964,11 +271324,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4594, + "next": 3618, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 4592, + "prev": 3616, "terminal_flag": false, "phi": -93.4039228231665, "chainID": "I", @@ -343003,12 +271363,12 @@ } }, { - "pk": 4594, + "pk": 3618, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 189, + "sidechain_ASN": 140, "chain": "1TWFI", "sidechain_ASP": null, "a6": 115.867728608051, @@ -343025,11 +271385,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4595, + "next": 3619, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4593, + "prev": 3617, "terminal_flag": false, "phi": 43.6588406445599, "chainID": "I", @@ -343064,7 +271424,7 @@ } }, { - "pk": 4595, + "pk": 3619, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -343086,11 +271446,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4596, + "next": 3620, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4594, + "prev": 3618, "terminal_flag": false, "phi": -147.611240128055, "chainID": "I", @@ -343108,7 +271468,7 @@ "L3": 1.53062847095898, "a7": 122.42945938321, "L1": 1.33259086116067, - "sidechain_ARG": 246, + "sidechain_ARG": 205, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -343125,7 +271485,7 @@ } }, { - "pk": 4596, + "pk": 3620, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -343147,11 +271507,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4597, + "next": 3621, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4595, + "prev": 3619, "terminal_flag": false, "phi": -94.4826985783402, "chainID": "I", @@ -343178,7 +271538,7 @@ "bs": 50.0, "a2": 109.545301654848, "a5": 121.760720232874, - "sidechain_LEU": 385, + "sidechain_LEU": 325, "chainIndex": 25, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -343186,7 +271546,7 @@ } }, { - "pk": 4597, + "pk": 3621, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -343208,11 +271568,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4598, + "next": 3622, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4596, + "prev": 3620, "terminal_flag": false, "phi": -116.676419584897, "chainID": "I", @@ -343239,7 +271599,7 @@ "bs": 52.0, "a2": 110.693297473217, "a5": 120.966200761172, - "sidechain_LEU": 386, + "sidechain_LEU": 326, "chainIndex": 26, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -343247,7 +271607,7 @@ } }, { - "pk": 4598, + "pk": 3622, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -343263,17 +271623,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.655753125488, - "sidechain_PHE": 174, + "sidechain_PHE": 141, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4599, + "next": 3623, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4597, + "prev": 3621, "terminal_flag": false, "phi": -139.831080100759, "chainID": "I", @@ -343308,7 +271668,7 @@ } }, { - "pk": 4599, + "pk": 3623, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -343330,11 +271690,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4600, + "next": 3624, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4598, + "prev": 3622, "terminal_flag": false, "phi": -103.482817293089, "chainID": "I", @@ -343354,7 +271714,7 @@ "L1": 1.32758546788683, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 328, + "sidechain_GLU": 270, "omep": null, "ss": "E", "a3": 110.15216472501, @@ -343369,7 +271729,7 @@ } }, { - "pk": 4600, + "pk": 3624, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -343381,7 +271741,7 @@ "psi": 154.954352189723, "oldID": "29", "bg": 55.23, - "sidechain_CYS": 84, + "sidechain_CYS": 66, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.7708439271466, @@ -343391,11 +271751,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4601, + "next": 3625, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4599, + "prev": 3623, "terminal_flag": false, "phi": -111.44456946198, "chainID": "I", @@ -343430,7 +271790,7 @@ } }, { - "pk": 4601, + "pk": 3625, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -343452,11 +271812,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4602, + "next": 3626, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4600, + "prev": 3624, "terminal_flag": false, "phi": -104.750138783892, "chainID": "I", @@ -343474,7 +271834,7 @@ "L3": 1.5227917712004, "a7": 122.852460329146, "L1": 1.32771247192209, - "sidechain_ARG": 247, + "sidechain_ARG": 206, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -343491,7 +271851,7 @@ } }, { - "pk": 4602, + "pk": 3626, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -343511,13 +271871,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 263, + "sidechain_THR": 202, "sidechain_TRP": null, - "next": 4603, + "next": 3627, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4601, + "prev": 3625, "terminal_flag": false, "phi": -96.6587240393636, "chainID": "I", @@ -343552,7 +271912,7 @@ } }, { - "pk": 4603, + "pk": 3627, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -343564,7 +271924,7 @@ "psi": -157.789801836636, "oldID": "32", "bg": 66.89, - "sidechain_CYS": 85, + "sidechain_CYS": 67, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.5999856017836, @@ -343574,11 +271934,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4604, + "next": 3628, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 4602, + "prev": 3626, "terminal_flag": false, "phi": -96.8026810645367, "chainID": "I", @@ -343613,7 +271973,7 @@ } }, { - "pk": 4604, + "pk": 3628, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -343635,11 +271995,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4605, - "sidechain_SER": 238, + "next": 3629, + "sidechain_SER": 192, "bm": 55.0, "xpr": false, - "prev": 4603, + "prev": 3627, "terminal_flag": false, "phi": -111.39392050917, "chainID": "I", @@ -343674,7 +272034,7 @@ } }, { - "pk": 4605, + "pk": 3629, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -343696,11 +272056,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4606, + "next": 3630, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4604, + "prev": 3628, "terminal_flag": false, "phi": -65.0779948071985, "chainID": "I", @@ -343719,7 +272079,7 @@ "a7": 122.903070135777, "L1": 1.32955121328589, "sidechain_ARG": null, - "sidechain_TYR": 146, + "sidechain_TYR": 103, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -343735,7 +272095,7 @@ } }, { - "pk": 4606, + "pk": 3630, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -343753,15 +272113,15 @@ "zeta": 35.0674021116646, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 303, + "sidechain_VAL": 251, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4607, + "next": 3631, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4605, + "prev": 3629, "terminal_flag": false, "phi": -161.567500638321, "chainID": "I", @@ -343796,7 +272156,7 @@ } }, { - "pk": 4607, + "pk": 3631, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -343818,11 +272178,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4608, + "next": 3632, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4606, + "prev": 3630, "terminal_flag": false, "phi": -167.030142049657, "chainID": "I", @@ -343842,7 +272202,7 @@ "L1": 1.33220695421495, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 329, + "sidechain_GLU": 271, "omep": null, "ss": "E", "a3": 112.982428748778, @@ -343857,7 +272217,7 @@ } }, { - "pk": 4608, + "pk": 3632, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -343879,11 +272239,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4609, + "next": 3633, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4607, + "prev": 3631, "terminal_flag": false, "phi": -72.5263091251745, "chainID": "I", @@ -343903,7 +272263,7 @@ "L1": 1.32593881500203, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 330, + "sidechain_GLU": 272, "omep": null, "ss": "E", "a3": 107.679398421173, @@ -343918,7 +272278,7 @@ } }, { - "pk": 4609, + "pk": 3633, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -343940,11 +272300,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4610, + "next": 3634, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4608, + "prev": 3632, "terminal_flag": false, "phi": -97.0713058260975, "chainID": "I", @@ -343979,7 +272339,7 @@ } }, { - "pk": 4610, + "pk": 3634, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -344001,11 +272361,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4611, + "next": 3635, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4609, + "prev": 3633, "terminal_flag": false, "phi": -72.7675173955747, "chainID": "I", @@ -344040,7 +272400,7 @@ } }, { - "pk": 4611, + "pk": 3635, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -344062,11 +272422,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4612, - "sidechain_SER": 239, + "next": 3636, + "sidechain_SER": 193, "bm": 51.0, "xpr": false, - "prev": 4610, + "prev": 3634, "terminal_flag": false, "phi": -132.977001408947, "chainID": "I", @@ -344101,11 +272461,11 @@ } }, { - "pk": 4612, + "pk": 3636, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 232, + "sidechain_PRO": 176, "sidechain_ASN": null, "chain": "1TWFI", "sidechain_ASP": null, @@ -344123,11 +272483,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4613, + "next": 3637, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4611, + "prev": 3635, "terminal_flag": false, "phi": -84.5238567840515, "chainID": "I", @@ -344162,7 +272522,7 @@ } }, { - "pk": 4613, + "pk": 3637, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -344184,11 +272544,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4614, + "next": 3638, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4612, + "prev": 3636, "terminal_flag": false, "phi": -74.7507668063136, "chainID": "I", @@ -344215,7 +272575,7 @@ "bs": 47.0, "a2": 111.393947710113, "a5": 120.606418659147, - "sidechain_LEU": 387, + "sidechain_LEU": 327, "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -344223,7 +272583,7 @@ } }, { - "pk": 4614, + "pk": 3638, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -344241,15 +272601,15 @@ "zeta": 35.5549806598463, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 304, + "sidechain_VAL": 252, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4615, + "next": 3639, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4613, + "prev": 3637, "terminal_flag": false, "phi": -110.505620673866, "chainID": "I", @@ -344284,7 +272644,7 @@ } }, { - "pk": 4615, + "pk": 3639, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -344306,11 +272666,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4616, + "next": 3640, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4614, + "prev": 3638, "terminal_flag": false, "phi": -159.966577901461, "chainID": "I", @@ -344329,7 +272689,7 @@ "a7": 123.035177616554, "L1": 1.33035091530931, "sidechain_ARG": null, - "sidechain_TYR": 147, + "sidechain_TYR": 104, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -344345,7 +272705,7 @@ } }, { - "pk": 4616, + "pk": 3640, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -344367,11 +272727,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4617, + "next": 3641, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4615, + "prev": 3639, "terminal_flag": false, "phi": -143.970731606936, "chainID": "I", @@ -344389,7 +272749,7 @@ "L3": 1.53483149109882, "a7": 123.861324151568, "L1": 1.32669059813977, - "sidechain_ARG": 248, + "sidechain_ARG": 207, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -344406,7 +272766,7 @@ } }, { - "pk": 4617, + "pk": 3641, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -344428,11 +272788,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4618, + "next": 3642, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4616, + "prev": 3640, "terminal_flag": false, "phi": -133.164439684739, "chainID": "I", @@ -344461,13 +272821,13 @@ "a5": 120.088110529584, "sidechain_LEU": null, "chainIndex": 46, - "sidechain_HIS": 123, + "sidechain_HIS": 101, "h_bond_energy": 0.0, "a4": 109.399374957074 } }, { - "pk": 4618, + "pk": 3642, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -344489,11 +272849,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4619, + "next": 3643, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4617, + "prev": 3641, "terminal_flag": false, "phi": -97.1591736215578, "chainID": "I", @@ -344513,7 +272873,7 @@ "L1": 1.32958248195951, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 331, + "sidechain_GLU": 273, "omep": null, "ss": "E", "a3": 111.898020892893, @@ -344528,7 +272888,7 @@ } }, { - "pk": 4619, + "pk": 3643, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -344550,11 +272910,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4620, + "next": 3644, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4618, + "prev": 3642, "terminal_flag": false, "phi": -75.5806007284134, "chainID": "I", @@ -344581,7 +272941,7 @@ "bs": 61.0, "a2": 110.110930383531, "a5": 120.520834384345, - "sidechain_LEU": 388, + "sidechain_LEU": 328, "chainIndex": 48, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -344589,7 +272949,7 @@ } }, { - "pk": 4620, + "pk": 3644, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -344602,7 +272962,7 @@ "oldID": "49", "bg": 71.0, "sidechain_CYS": null, - "sidechain_ILE": 297, + "sidechain_ILE": 245, "protein": "1TWF", "zeta": 35.6773831915307, "sidechain_PHE": null, @@ -344611,11 +272971,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4621, + "next": 3645, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4619, + "prev": 3643, "terminal_flag": false, "phi": -107.548640373264, "chainID": "I", @@ -344650,7 +273010,7 @@ } }, { - "pk": 4621, + "pk": 3645, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -344670,13 +273030,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 264, + "sidechain_THR": 203, "sidechain_TRP": null, - "next": 4622, + "next": 3646, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4620, + "prev": 3644, "terminal_flag": false, "phi": -89.0779696117561, "chainID": "I", @@ -344711,12 +273071,12 @@ } }, { - "pk": 4622, + "pk": 3646, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 190, + "sidechain_ASN": 141, "chain": "1TWFI", "sidechain_ASP": null, "a6": 116.109680619068, @@ -344733,11 +273093,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4623, + "next": 3647, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4621, + "prev": 3645, "terminal_flag": false, "phi": -112.606572395967, "chainID": "I", @@ -344772,7 +273132,7 @@ } }, { - "pk": 4623, + "pk": 3647, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -344785,7 +273145,7 @@ "oldID": "52", "bg": 79.12, "sidechain_CYS": null, - "sidechain_ILE": 298, + "sidechain_ILE": 246, "protein": "1TWF", "zeta": 34.136158170925, "sidechain_PHE": null, @@ -344794,11 +273154,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4624, + "next": 3648, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4622, + "prev": 3646, "terminal_flag": false, "phi": -53.9098077771908, "chainID": "I", @@ -344833,7 +273193,7 @@ } }, { - "pk": 4624, + "pk": 3648, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -344855,11 +273215,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4625, + "next": 3649, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 4623, + "prev": 3647, "terminal_flag": false, "phi": 112.73619170834, "chainID": "I", @@ -344894,7 +273254,7 @@ } }, { - "pk": 4625, + "pk": 3649, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -344916,11 +273276,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4626, + "next": 3650, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 4624, + "prev": 3648, "terminal_flag": false, "phi": -74.6971833677282, "chainID": "I", @@ -344940,7 +273300,7 @@ "L1": 1.33271055012291, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 332, + "sidechain_GLU": 274, "omep": null, "ss": "S", "a3": 113.549403553766, @@ -344955,7 +273315,7 @@ } }, { - "pk": 4626, + "pk": 3650, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -344975,13 +273335,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 265, + "sidechain_THR": 204, "sidechain_TRP": null, - "next": 4627, + "next": 3651, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4625, + "prev": 3649, "terminal_flag": false, "phi": -105.338568431112, "chainID": "I", @@ -345016,7 +273376,7 @@ } }, { - "pk": 4627, + "pk": 3651, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -345038,11 +273398,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4628, + "next": 3652, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4626, + "prev": 3650, "terminal_flag": false, "phi": -42.3578684187262, "chainID": "I", @@ -345077,7 +273437,7 @@ } }, { - "pk": 4628, + "pk": 3652, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -345099,11 +273459,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4629, + "next": 3653, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4627, + "prev": 3651, "terminal_flag": false, "phi": 115.250126737572, "chainID": "I", @@ -345138,7 +273498,7 @@ } }, { - "pk": 4629, + "pk": 3653, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -345156,15 +273516,15 @@ "zeta": 34.6486403505083, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 305, + "sidechain_VAL": 253, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4630, + "next": 3654, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4628, + "prev": 3652, "terminal_flag": false, "phi": -67.2368005485707, "chainID": "I", @@ -345199,7 +273559,7 @@ } }, { - "pk": 4630, + "pk": 3654, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -345217,15 +273577,15 @@ "zeta": 35.0239941950536, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 306, + "sidechain_VAL": 254, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4631, + "next": 3655, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4629, + "prev": 3653, "terminal_flag": false, "phi": -127.374820144606, "chainID": "I", @@ -345260,7 +273620,7 @@ } }, { - "pk": 4631, + "pk": 3655, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -345282,15 +273642,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4632, + "next": 3656, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4630, + "prev": 3654, "terminal_flag": false, "phi": -63.5409902107173, "chainID": "I", - "sidechain_GLN": 176, + "sidechain_GLN": 149, "ome": -179.194358533011, "chi2": 50.1582316073164, "chi3": 58.0587827017774, @@ -345321,14 +273681,14 @@ } }, { - "pk": 4632, + "pk": 3656, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFI", - "sidechain_ASP": 287, + "sidechain_ASP": 234, "a6": 116.796726839417, "psi": 3.25752961177611, "oldID": "61", @@ -345343,11 +273703,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4633, + "next": 3657, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4631, + "prev": 3655, "terminal_flag": false, "phi": -112.955507581158, "chainID": "I", @@ -345382,7 +273742,7 @@ } }, { - "pk": 4633, + "pk": 3657, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -345395,7 +273755,7 @@ "oldID": "62", "bg": 49.94, "sidechain_CYS": null, - "sidechain_ILE": 299, + "sidechain_ILE": 247, "protein": "1TWF", "zeta": 33.5734680430898, "sidechain_PHE": null, @@ -345404,11 +273764,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4634, + "next": 3658, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4632, + "prev": 3656, "terminal_flag": false, "phi": -48.3672126995925, "chainID": "I", @@ -345443,7 +273803,7 @@ } }, { - "pk": 4634, + "pk": 3658, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -345465,11 +273825,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4635, + "next": 3659, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4633, + "prev": 3657, "terminal_flag": false, "phi": -73.906224056265, "chainID": "I", @@ -345504,7 +273864,7 @@ } }, { - "pk": 4635, + "pk": 3659, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -345526,11 +273886,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4636, - "sidechain_SER": 240, + "next": 3660, + "sidechain_SER": 194, "bm": 52.0, "xpr": false, - "prev": 4634, + "prev": 3658, "terminal_flag": false, "phi": -74.4874000350628, "chainID": "I", @@ -345565,14 +273925,14 @@ } }, { - "pk": 4636, + "pk": 3660, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFI", - "sidechain_ASP": 288, + "sidechain_ASP": 235, "a6": 116.726716255878, "psi": 101.996938128922, "oldID": "65", @@ -345587,11 +273947,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4637, + "next": 3661, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4635, + "prev": 3659, "terminal_flag": false, "phi": -93.8594219864043, "chainID": "I", @@ -345626,11 +273986,11 @@ } }, { - "pk": 4637, + "pk": 3661, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 233, + "sidechain_PRO": 177, "sidechain_ASN": null, "chain": "1TWFI", "sidechain_ASP": null, @@ -345648,11 +274008,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4638, + "next": 3662, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4636, + "prev": 3660, "terminal_flag": false, "phi": -62.4630491519459, "chainID": "I", @@ -345687,7 +274047,7 @@ } }, { - "pk": 4638, + "pk": 3662, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -345707,13 +274067,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 266, + "sidechain_THR": 205, "sidechain_TRP": null, - "next": 4639, + "next": 3663, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4637, + "prev": 3661, "terminal_flag": false, "phi": -80.7876144976617, "chainID": "I", @@ -345748,7 +274108,7 @@ } }, { - "pk": 4639, + "pk": 3663, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -345770,11 +274130,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4640, + "next": 3664, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4638, + "prev": 3662, "terminal_flag": false, "phi": -79.9130791446426, "chainID": "I", @@ -345801,7 +274161,7 @@ "bs": 42.0, "a2": 109.381046198023, "a5": 121.361190470844, - "sidechain_LEU": 389, + "sidechain_LEU": 329, "chainIndex": 68, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -345809,11 +274169,11 @@ } }, { - "pk": 4640, + "pk": 3664, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 234, + "sidechain_PRO": 178, "sidechain_ASN": null, "chain": "1TWFI", "sidechain_ASP": null, @@ -345831,11 +274191,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4641, + "next": 3665, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4639, + "prev": 3663, "terminal_flag": false, "phi": -78.0567751675748, "chainID": "I", @@ -345870,7 +274230,7 @@ } }, { - "pk": 4641, + "pk": 3665, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -345892,11 +274252,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4642, + "next": 3666, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4640, + "prev": 3664, "terminal_flag": false, "phi": -119.214848897714, "chainID": "I", @@ -345914,7 +274274,7 @@ "L3": 1.52226279878663, "a7": 123.293804284871, "L1": 1.32871273928441, - "sidechain_ARG": 249, + "sidechain_ARG": 208, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -345931,7 +274291,7 @@ } }, { - "pk": 4642, + "pk": 3666, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -345953,11 +274313,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4643, - "sidechain_SER": 241, + "next": 3667, + "sidechain_SER": 195, "bm": 66.0, "xpr": false, - "prev": 4641, + "prev": 3665, "terminal_flag": false, "phi": -115.070478007874, "chainID": "I", @@ -345992,14 +274352,14 @@ } }, { - "pk": 4643, + "pk": 3667, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFI", - "sidechain_ASP": 289, + "sidechain_ASP": 236, "a6": 116.618284303737, "psi": 35.7097207395951, "oldID": "72", @@ -346014,11 +274374,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4644, + "next": 3668, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4642, + "prev": 3666, "terminal_flag": false, "phi": -116.389007812548, "chainID": "I", @@ -346053,7 +274413,7 @@ } }, { - "pk": 4644, + "pk": 3668, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -346075,11 +274435,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4645, + "next": 3669, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4643, + "prev": 3667, "terminal_flag": false, "phi": -68.2651906722257, "chainID": "I", @@ -346097,7 +274457,7 @@ "L3": 1.52485327228671, "a7": 122.264338955625, "L1": 1.33032330359206, - "sidechain_ARG": 250, + "sidechain_ARG": 209, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -346114,7 +274474,7 @@ } }, { - "pk": 4645, + "pk": 3669, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -346136,11 +274496,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4646, + "next": 3670, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 4644, + "prev": 3668, "terminal_flag": false, "phi": -119.3474751557, "chainID": "I", @@ -346160,7 +274520,7 @@ "L1": 1.32321764270098, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 333, + "sidechain_GLU": 275, "omep": null, "ss": "-", "a3": 110.041573768178, @@ -346175,7 +274535,7 @@ } }, { - "pk": 4646, + "pk": 3670, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -346187,7 +274547,7 @@ "psi": 134.078821048407, "oldID": "75", "bg": 87.74, - "sidechain_CYS": 86, + "sidechain_CYS": 68, "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.9308120079838, @@ -346197,11 +274557,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4647, + "next": 3671, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4645, + "prev": 3669, "terminal_flag": false, "phi": -85.3659354463131, "chainID": "I", @@ -346236,11 +274596,11 @@ } }, { - "pk": 4647, + "pk": 3671, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 235, + "sidechain_PRO": 179, "sidechain_ASN": null, "chain": "1TWFI", "sidechain_ASP": null, @@ -346258,11 +274618,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4648, + "next": 3672, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 4646, + "prev": 3670, "terminal_flag": false, "phi": -50.8962031310958, "chainID": "I", @@ -346297,7 +274657,7 @@ } }, { - "pk": 4648, + "pk": 3672, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -346314,16 +274674,16 @@ "protein": "1TWF", "zeta": 33.3911246400957, "sidechain_PHE": null, - "sidechain_LYS": 297, + "sidechain_LYS": 218, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4649, + "next": 3673, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 4647, + "prev": 3671, "terminal_flag": false, "phi": -91.9574233825084, "chainID": "I", @@ -346358,7 +274718,7 @@ } }, { - "pk": 4649, + "pk": 3673, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -346370,7 +274730,7 @@ "psi": -3.95654656324188, "oldID": "78", "bg": 89.47, - "sidechain_CYS": 87, + "sidechain_CYS": 69, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.2141501203445, @@ -346380,11 +274740,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4650, + "next": 3674, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 4648, + "prev": 3672, "terminal_flag": false, "phi": -82.6625026348742, "chainID": "I", @@ -346419,7 +274779,7 @@ } }, { - "pk": 4650, + "pk": 3674, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -346441,11 +274801,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4651, + "next": 3675, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4649, + "prev": 3673, "terminal_flag": false, "phi": 60.5393990032291, "chainID": "I", @@ -346474,13 +274834,13 @@ "a5": 119.651592783831, "sidechain_LEU": null, "chainIndex": 79, - "sidechain_HIS": 124, + "sidechain_HIS": 102, "h_bond_energy": 0.0, "a4": 109.09505281878 } }, { - "pk": 4651, + "pk": 3675, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -346502,11 +274862,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4652, - "sidechain_SER": 242, + "next": 3676, + "sidechain_SER": 196, "bm": 99.0, "xpr": false, - "prev": 4650, + "prev": 3674, "terminal_flag": false, "phi": -62.5205274407651, "chainID": "I", @@ -346541,7 +274901,7 @@ } }, { - "pk": 4652, + "pk": 3676, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -346563,11 +274923,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4653, + "next": 3677, "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 4651, + "prev": 3675, "terminal_flag": false, "phi": -115.031244702984, "chainID": "I", @@ -346585,7 +274945,7 @@ "L3": 1.52605514336517, "a7": 122.720077926347, "L1": 1.3277532355784, - "sidechain_ARG": 251, + "sidechain_ARG": 210, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -346602,7 +274962,7 @@ } }, { - "pk": 4653, + "pk": 3677, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -346624,11 +274984,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4654, + "next": 3678, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 4652, + "prev": 3676, "terminal_flag": false, "phi": -82.5727272985722, "chainID": "I", @@ -346648,7 +275008,7 @@ "L1": 1.32891954077701, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 334, + "sidechain_GLU": 276, "omep": null, "ss": "-", "a3": 108.856688843706, @@ -346663,12 +275023,12 @@ } }, { - "pk": 4654, + "pk": 3678, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 191, + "sidechain_ASN": 142, "chain": "1TWFI", "sidechain_ASP": null, "a6": 114.209650065939, @@ -346685,11 +275045,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4655, + "next": 3679, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4653, + "prev": 3677, "terminal_flag": false, "phi": -114.336979184534, "chainID": "I", @@ -346724,7 +275084,7 @@ } }, { - "pk": 4655, + "pk": 3679, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -346742,15 +275102,15 @@ "zeta": 34.9733847423446, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 307, + "sidechain_VAL": 255, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4656, + "next": 3680, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4654, + "prev": 3678, "terminal_flag": false, "phi": -134.906538913715, "chainID": "I", @@ -346785,7 +275145,7 @@ } }, { - "pk": 4656, + "pk": 3680, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -346801,17 +275161,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.4748148080002, - "sidechain_PHE": 175, + "sidechain_PHE": 142, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4657, + "next": 3681, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4655, + "prev": 3679, "terminal_flag": false, "phi": -137.574883408929, "chainID": "I", @@ -346846,7 +275206,7 @@ } }, { - "pk": 4657, + "pk": 3681, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -346862,17 +275222,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.5804554445469, - "sidechain_PHE": 176, + "sidechain_PHE": 143, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4658, + "next": 3682, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4656, + "prev": 3680, "terminal_flag": false, "phi": -153.094878067438, "chainID": "I", @@ -346907,7 +275267,7 @@ } }, { - "pk": 4658, + "pk": 3682, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -346929,15 +275289,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4659, + "next": 3683, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4657, + "prev": 3681, "terminal_flag": false, "phi": -79.4932534809374, "chainID": "I", - "sidechain_GLN": 177, + "sidechain_GLN": 150, "ome": -179.890392196038, "chi2": 163.033325418826, "chi3": 41.508276878368, @@ -346968,7 +275328,7 @@ } }, { - "pk": 4659, + "pk": 3683, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -346990,11 +275350,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4660, - "sidechain_SER": 243, + "next": 3684, + "sidechain_SER": 197, "bm": 58.0, "xpr": false, - "prev": 4658, + "prev": 3682, "terminal_flag": false, "phi": -52.5024176361174, "chainID": "I", @@ -347029,7 +275389,7 @@ } }, { - "pk": 4660, + "pk": 3684, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -347051,15 +275411,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4661, + "next": 3685, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4659, + "prev": 3683, "terminal_flag": false, "phi": -77.495331236804, "chainID": "I", - "sidechain_GLN": 178, + "sidechain_GLN": 151, "ome": 178.103484827083, "chi2": -55.2920001447027, "chi3": 87.1935973388738, @@ -347090,7 +275450,7 @@ } }, { - "pk": 4661, + "pk": 3685, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -347112,15 +275472,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4662, + "next": 3686, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4660, + "prev": 3684, "terminal_flag": false, "phi": -73.1225786396651, "chainID": "I", - "sidechain_GLN": 179, + "sidechain_GLN": 152, "ome": 179.648906979251, "chi2": -173.057091305107, "chi3": -53.3211334725005, @@ -347151,7 +275511,7 @@ } }, { - "pk": 4662, + "pk": 3686, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -347173,11 +275533,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4663, + "next": 3687, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4661, + "prev": 3685, "terminal_flag": false, "phi": -134.31397690674, "chainID": "I", @@ -347195,7 +275555,7 @@ "L3": 1.53381962380276, "a7": 123.696979470821, "L1": 1.32752636488315, - "sidechain_ARG": 252, + "sidechain_ARG": 211, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -347212,7 +275572,7 @@ } }, { - "pk": 4663, + "pk": 3687, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -347234,11 +275594,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4664, + "next": 3688, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 4662, + "prev": 3686, "terminal_flag": false, "phi": -110.166362667998, "chainID": "I", @@ -347256,7 +275616,7 @@ "L3": 1.53005665062694, "a7": 122.855212267876, "L1": 1.33055750539847, - "sidechain_ARG": 253, + "sidechain_ARG": 212, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -347273,7 +275633,7 @@ } }, { - "pk": 4664, + "pk": 3688, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -347290,16 +275650,16 @@ "protein": "1TWF", "zeta": 34.7028042678355, "sidechain_PHE": null, - "sidechain_LYS": 298, + "sidechain_LYS": 219, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4665, + "next": 3689, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4663, + "prev": 3687, "terminal_flag": false, "phi": -59.3923363657794, "chainID": "I", @@ -347334,14 +275694,14 @@ } }, { - "pk": 4665, + "pk": 3689, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFI", - "sidechain_ASP": 290, + "sidechain_ASP": 237, "a6": 115.839911932085, "psi": 40.5685483799027, "oldID": "94", @@ -347356,11 +275716,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4666, + "next": 3690, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 4664, + "prev": 3688, "terminal_flag": false, "phi": -87.154879270522, "chainID": "I", @@ -347395,7 +275755,7 @@ } }, { - "pk": 4666, + "pk": 3690, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -347415,13 +275775,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 267, + "sidechain_THR": 206, "sidechain_TRP": null, - "next": 4667, + "next": 3691, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4665, + "prev": 3689, "terminal_flag": false, "phi": -96.6221863663265, "chainID": "I", @@ -347456,7 +275816,7 @@ } }, { - "pk": 4667, + "pk": 3691, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -347478,11 +275838,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4668, - "sidechain_SER": 244, + "next": 3692, + "sidechain_SER": 198, "bm": 72.0, "xpr": false, - "prev": 4666, + "prev": 3690, "terminal_flag": false, "phi": -95.4353930461108, "chainID": "I", @@ -347517,7 +275877,7 @@ } }, { - "pk": 4668, + "pk": 3692, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -347536,14 +275896,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 133, + "sidechain_MET": 106, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4669, + "next": 3693, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4667, + "prev": 3691, "terminal_flag": false, "phi": -109.103447078344, "chainID": "I", @@ -347578,7 +275938,7 @@ } }, { - "pk": 4669, + "pk": 3693, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -347596,15 +275956,15 @@ "zeta": 34.4242171639966, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 308, + "sidechain_VAL": 256, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4670, + "next": 3694, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4668, + "prev": 3692, "terminal_flag": false, "phi": -63.0329380759665, "chainID": "I", @@ -347639,7 +275999,7 @@ } }, { - "pk": 4670, + "pk": 3694, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -347661,11 +276021,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4671, + "next": 3695, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4669, + "prev": 3693, "terminal_flag": false, "phi": -98.6774008901994, "chainID": "I", @@ -347692,7 +276052,7 @@ "bs": 47.0, "a2": 110.273405337685, "a5": 120.882903453814, - "sidechain_LEU": 390, + "sidechain_LEU": 330, "chainIndex": 99, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -347700,7 +276060,7 @@ } }, { - "pk": 4671, + "pk": 3695, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -347716,17 +276076,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7652158554073, - "sidechain_PHE": 177, + "sidechain_PHE": 144, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4672, + "next": 3696, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4670, + "prev": 3694, "terminal_flag": false, "phi": -114.375770499803, "chainID": "I", @@ -347761,7 +276121,7 @@ } }, { - "pk": 4672, + "pk": 3696, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -347777,17 +276137,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8175365446308, - "sidechain_PHE": 178, + "sidechain_PHE": 145, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4673, + "next": 3697, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4671, + "prev": 3695, "terminal_flag": false, "phi": -110.910083037224, "chainID": "I", @@ -347822,7 +276182,7 @@ } }, { - "pk": 4673, + "pk": 3697, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -347840,15 +276200,15 @@ "zeta": 35.8202365890295, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 309, + "sidechain_VAL": 257, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4674, + "next": 3698, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4672, + "prev": 3696, "terminal_flag": false, "phi": -137.13639473727, "chainID": "I", @@ -347883,7 +276243,7 @@ } }, { - "pk": 4674, + "pk": 3698, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -347895,7 +276255,7 @@ "psi": 127.313537718162, "oldID": "103", "bg": 65.93, - "sidechain_CYS": 88, + "sidechain_CYS": 70, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.5133200674158, @@ -347905,11 +276265,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4675, + "next": 3699, "sidechain_SER": null, "bm": 57.0, "xpr": false, - "prev": 4673, + "prev": 3697, "terminal_flag": false, "phi": -63.5678994741302, "chainID": "I", @@ -347944,7 +276304,7 @@ } }, { - "pk": 4675, + "pk": 3699, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -347966,11 +276326,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4676, + "next": 3700, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4674, + "prev": 3698, "terminal_flag": false, "phi": -82.4623894413597, "chainID": "I", @@ -347997,7 +276357,7 @@ "bs": 61.0, "a2": 109.64436356934, "a5": 120.787526201313, - "sidechain_LEU": 391, + "sidechain_LEU": 331, "chainIndex": 104, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -348005,7 +276365,7 @@ } }, { - "pk": 4676, + "pk": 3700, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -348027,11 +276387,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4677, - "sidechain_SER": 245, + "next": 3701, + "sidechain_SER": 199, "bm": 68.0, "xpr": false, - "prev": 4675, + "prev": 3699, "terminal_flag": false, "phi": -100.639416582666, "chainID": "I", @@ -348066,7 +276426,7 @@ } }, { - "pk": 4677, + "pk": 3701, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -348078,7 +276438,7 @@ "psi": 8.96672035923432, "oldID": "106", "bg": 70.63, - "sidechain_CYS": 89, + "sidechain_CYS": 71, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.6188898936464, @@ -348088,11 +276448,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4678, + "next": 3702, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4676, + "prev": 3700, "terminal_flag": false, "phi": -126.010749826194, "chainID": "I", @@ -348127,7 +276487,7 @@ } }, { - "pk": 4678, + "pk": 3702, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -348149,11 +276509,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4679, - "sidechain_SER": 246, + "next": 3703, + "sidechain_SER": 200, "bm": 67.0, "xpr": false, - "prev": 4677, + "prev": 3701, "terminal_flag": false, "phi": 51.4223331336467, "chainID": "I", @@ -348188,7 +276548,7 @@ } }, { - "pk": 4679, + "pk": 3703, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -348210,11 +276570,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4680, + "next": 3704, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4678, + "prev": 3702, "terminal_flag": false, "phi": -91.9035529638659, "chainID": "I", @@ -348243,13 +276603,13 @@ "a5": 120.976882514163, "sidechain_LEU": null, "chainIndex": 108, - "sidechain_HIS": 125, + "sidechain_HIS": 103, "h_bond_energy": 0.0, "a4": 110.349877684251 } }, { - "pk": 4680, + "pk": 3704, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -348262,7 +276622,7 @@ "oldID": "109", "bg": 59.39, "sidechain_CYS": null, - "sidechain_ILE": 300, + "sidechain_ILE": 248, "protein": "1TWF", "zeta": 36.015173888511, "sidechain_PHE": null, @@ -348271,11 +276631,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4681, + "next": 3705, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 4679, + "prev": 3703, "terminal_flag": false, "phi": -91.9669295283805, "chainID": "I", @@ -348310,7 +276670,7 @@ } }, { - "pk": 4681, + "pk": 3705, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -348326,17 +276686,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 32.7643118110658, - "sidechain_PHE": 179, + "sidechain_PHE": 146, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4682, + "next": 3706, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4680, + "prev": 3704, "terminal_flag": false, "phi": -134.274417577421, "chainID": "I", @@ -348371,7 +276731,7 @@ } }, { - "pk": 4682, + "pk": 3706, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -348391,13 +276751,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 268, + "sidechain_THR": 207, "sidechain_TRP": null, - "next": 4683, + "next": 3707, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4681, + "prev": 3705, "terminal_flag": false, "phi": -100.901626614616, "chainID": "I", @@ -348432,7 +276792,7 @@ } }, { - "pk": 4683, + "pk": 3707, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -348454,11 +276814,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4684, - "sidechain_SER": 247, + "next": 3708, + "sidechain_SER": 201, "bm": 61.0, "xpr": false, - "prev": 4682, + "prev": 3706, "terminal_flag": false, "phi": -105.062145887075, "chainID": "I", @@ -348493,14 +276853,14 @@ } }, { - "pk": 4684, + "pk": 3708, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFI", - "sidechain_ASP": 291, + "sidechain_ASP": 238, "a6": 117.077759313192, "psi": 103.533018151095, "oldID": "113", @@ -348515,11 +276875,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4685, + "next": 3709, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4683, + "prev": 3707, "terminal_flag": false, "phi": -73.1818923872413, "chainID": "I", @@ -348554,7 +276914,7 @@ } }, { - "pk": 4685, + "pk": 3709, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -348576,15 +276936,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4686, + "next": 3710, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4684, + "prev": 3708, "terminal_flag": false, "phi": -61.3959369351017, "chainID": "I", - "sidechain_GLN": 180, + "sidechain_GLN": 153, "ome": 177.893942378854, "chi2": 159.586810053881, "chi3": 58.8867979736663, @@ -348615,7 +276975,7 @@ } }, { - "pk": 4686, + "pk": 3710, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -348632,16 +276992,16 @@ "protein": "1TWF", "zeta": 34.8510475366163, "sidechain_PHE": null, - "sidechain_LYS": 299, + "sidechain_LYS": 220, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4687, + "next": 3711, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4685, + "prev": 3709, "terminal_flag": false, "phi": -107.570994969594, "chainID": "I", @@ -348676,12 +277036,12 @@ } }, { - "pk": 4687, + "pk": 3711, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 192, + "sidechain_ASN": 143, "chain": "1TWFI", "sidechain_ASP": null, "a6": 116.67008477057, @@ -348698,11 +277058,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4688, + "next": 3712, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 4686, + "prev": 3710, "terminal_flag": false, "phi": -48.4956846808083, "chainID": "I", @@ -348737,7 +277097,7 @@ } }, { - "pk": 4688, + "pk": 3712, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -348754,16 +277114,16 @@ "protein": "1TWF", "zeta": 34.3052029194371, "sidechain_PHE": null, - "sidechain_LYS": 300, + "sidechain_LYS": 221, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4689, + "next": 3713, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 4687, + "prev": 3711, "terminal_flag": false, "phi": -134.511492053073, "chainID": "I", @@ -348798,7 +277158,7 @@ } }, { - "pk": 4689, + "pk": 3713, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -348820,11 +277180,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4690, + "next": 3714, "sidechain_SER": null, "bm": 125.0, "xpr": false, - "prev": 4688, + "prev": 3712, "terminal_flag": false, "phi": -104.457165713546, "chainID": "I", @@ -348842,7 +277202,7 @@ "L3": 1.53491752657274, "a7": 123.554981490244, "L1": 1.33071498907974, - "sidechain_ARG": 254, + "sidechain_ARG": 213, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -348859,7 +277219,7 @@ } }, { - "pk": 4690, + "pk": 3714, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -348879,13 +277239,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 269, + "sidechain_THR": 208, "sidechain_TRP": null, - "next": 4691, + "next": 3715, "sidechain_SER": null, "bm": 128.0, "xpr": false, - "prev": 4689, + "prev": 3713, "terminal_flag": false, "phi": -88.9477330553147, "chainID": "I", @@ -348920,7 +277280,7 @@ } }, { - "pk": 4691, + "pk": 3715, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -348942,15 +277302,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4692, + "next": 3716, "sidechain_SER": null, "bm": 129.0, "xpr": false, - "prev": 4690, + "prev": 3714, "terminal_flag": false, "phi": -121.571622983602, "chainID": "I", - "sidechain_GLN": 181, + "sidechain_GLN": 154, "ome": 179.827552196118, "chi2": 172.862483974246, "chi3": 67.4744422616745, @@ -348981,7 +277341,7 @@ } }, { - "pk": 4692, + "pk": 3716, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -348997,17 +277357,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.6128005963232, - "sidechain_PHE": 180, + "sidechain_PHE": 147, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4693, + "next": 3717, "sidechain_SER": null, "bm": 128.0, "xpr": false, - "prev": 4691, + "prev": 3715, "terminal_flag": false, "phi": 67.8025949718217, "chainID": "I", @@ -349042,7 +277402,7 @@ } }, { - "pk": 4693, + "pk": 3717, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -349065,10 +277425,10 @@ "sidechain_THR": null, "sidechain_TRP": null, "next": null, - "sidechain_SER": 248, + "sidechain_SER": 202, "bm": 128.0, "xpr": false, - "prev": 4692, + "prev": 3716, "terminal_flag": true, "phi": -78.2871273979175, "chainID": "I", @@ -349103,7 +277463,7 @@ } }, { - "pk": 4694, + "pk": 3718, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -349125,8 +277485,8 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4695, - "sidechain_SER": 249, + "next": 3719, + "sidechain_SER": 203, "bm": 115.0, "xpr": false, "prev": null, @@ -349164,12 +277524,12 @@ } }, { - "pk": 4695, + "pk": 3719, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 193, + "sidechain_ASN": 144, "chain": "1TWFH", "sidechain_ASP": null, "a6": 114.825288702848, @@ -349186,11 +277546,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4696, + "next": 3720, "sidechain_SER": null, "bm": 112.0, "xpr": false, - "prev": 4694, + "prev": 3718, "terminal_flag": false, "phi": -158.955859609986, "chainID": "H", @@ -349225,7 +277585,7 @@ } }, { - "pk": 4696, + "pk": 3720, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -349245,13 +277605,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 270, + "sidechain_THR": 209, "sidechain_TRP": null, - "next": 4697, + "next": 3721, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 4695, + "prev": 3719, "terminal_flag": false, "phi": -167.557198065923, "chainID": "H", @@ -349286,7 +277646,7 @@ } }, { - "pk": 4697, + "pk": 3721, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -349308,11 +277668,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4698, + "next": 3722, "sidechain_SER": null, "bm": 102.0, "xpr": false, - "prev": 4696, + "prev": 3720, "terminal_flag": false, "phi": -121.309424708676, "chainID": "H", @@ -349339,7 +277699,7 @@ "bs": 104.0, "a2": 109.10017028159, "a5": 120.066108789584, - "sidechain_LEU": 392, + "sidechain_LEU": 332, "chainIndex": 4, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -349347,7 +277707,7 @@ } }, { - "pk": 4698, + "pk": 3722, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -349363,17 +277723,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8044344937287, - "sidechain_PHE": 181, + "sidechain_PHE": 148, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4699, + "next": 3723, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 4697, + "prev": 3721, "terminal_flag": false, "phi": -146.491518347943, "chainID": "H", @@ -349408,14 +277768,14 @@ } }, { - "pk": 4699, + "pk": 3723, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 292, + "sidechain_ASP": 239, "a6": 116.818177092493, "psi": 128.022081320578, "oldID": "7", @@ -349430,11 +277790,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4700, + "next": 3724, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 4698, + "prev": 3722, "terminal_flag": false, "phi": -156.199164138909, "chainID": "H", @@ -349469,14 +277829,14 @@ } }, { - "pk": 4700, + "pk": 3724, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 293, + "sidechain_ASP": 240, "a6": 116.577197981927, "psi": 173.958810705238, "oldID": "8", @@ -349491,11 +277851,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4701, + "next": 3725, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 4699, + "prev": 3723, "terminal_flag": false, "phi": -175.703035914882, "chainID": "H", @@ -349530,7 +277890,7 @@ } }, { - "pk": 4701, + "pk": 3725, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -349543,7 +277903,7 @@ "oldID": "9", "bg": 98.55, "sidechain_CYS": null, - "sidechain_ILE": 301, + "sidechain_ILE": 249, "protein": "1TWF", "zeta": 35.026989917129, "sidechain_PHE": null, @@ -349552,11 +277912,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4702, + "next": 3726, "sidechain_SER": null, "bm": 96.0, "xpr": false, - "prev": 4700, + "prev": 3724, "terminal_flag": false, "phi": -119.312258361727, "chainID": "H", @@ -349591,7 +277951,7 @@ } }, { - "pk": 4702, + "pk": 3726, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -349607,17 +277967,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.6401941922168, - "sidechain_PHE": 182, + "sidechain_PHE": 149, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4703, + "next": 3727, "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 4701, + "prev": 3725, "terminal_flag": false, "phi": -123.199463260112, "chainID": "H", @@ -349652,7 +278012,7 @@ } }, { - "pk": 4703, + "pk": 3727, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -349674,15 +278034,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4704, + "next": 3728, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4702, + "prev": 3726, "terminal_flag": false, "phi": -105.109390320872, "chainID": "H", - "sidechain_GLN": 182, + "sidechain_GLN": 155, "ome": -179.765675992206, "chi2": 77.2563007923058, "chi3": 67.8617976448472, @@ -349713,7 +278073,7 @@ } }, { - "pk": 4704, + "pk": 3728, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -349731,15 +278091,15 @@ "zeta": 34.7234226893296, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 310, + "sidechain_VAL": 258, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4705, + "next": 3729, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 4703, + "prev": 3727, "terminal_flag": false, "phi": -60.2270130962824, "chainID": "H", @@ -349774,7 +278134,7 @@ } }, { - "pk": 4705, + "pk": 3729, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -349796,11 +278156,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4706, - "sidechain_SER": 250, + "next": 3730, + "sidechain_SER": 204, "bm": 97.0, "xpr": false, - "prev": 4704, + "prev": 3728, "terminal_flag": false, "phi": -105.48307113817, "chainID": "H", @@ -349835,7 +278195,7 @@ } }, { - "pk": 4706, + "pk": 3730, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -349857,11 +278217,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4707, + "next": 3731, "sidechain_SER": null, "bm": 96.0, "xpr": false, - "prev": 4705, + "prev": 3729, "terminal_flag": false, "phi": -159.128220070932, "chainID": "H", @@ -349881,7 +278241,7 @@ "L1": 1.32599630729017, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 335, + "sidechain_GLU": 277, "omep": null, "ss": "E", "a3": 112.447461574297, @@ -349896,7 +278256,7 @@ } }, { - "pk": 4707, + "pk": 3731, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -349914,15 +278274,15 @@ "zeta": 34.2297162845539, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 311, + "sidechain_VAL": 259, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4708, + "next": 3732, "sidechain_SER": null, "bm": 92.0, "xpr": false, - "prev": 4706, + "prev": 3730, "terminal_flag": false, "phi": -122.253440345915, "chainID": "H", @@ -349957,14 +278317,14 @@ } }, { - "pk": 4708, + "pk": 3732, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 294, + "sidechain_ASP": 241, "a6": 117.016255516577, "psi": 128.309634101351, "oldID": "16", @@ -349979,11 +278339,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4709, + "next": 3733, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 4707, + "prev": 3731, "terminal_flag": false, "phi": -100.845737121775, "chainID": "H", @@ -350018,11 +278378,11 @@ } }, { - "pk": 4709, + "pk": 3733, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 236, + "sidechain_PRO": 180, "sidechain_ASN": null, "chain": "1TWFH", "sidechain_ASP": null, @@ -350040,11 +278400,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4710, + "next": 3734, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4708, + "prev": 3732, "terminal_flag": false, "phi": -89.4546686050379, "chainID": "H", @@ -350079,7 +278439,7 @@ } }, { - "pk": 4710, + "pk": 3734, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -350101,11 +278461,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4711, + "next": 3735, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4709, + "prev": 3733, "terminal_flag": false, "phi": 29.112713516022, "chainID": "H", @@ -350140,7 +278500,7 @@ } }, { - "pk": 4711, + "pk": 3735, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -350162,11 +278522,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4712, + "next": 3736, "sidechain_SER": null, "bm": 85.0, "xpr": false, - "prev": 4710, + "prev": 3734, "terminal_flag": false, "phi": 49.4912983773512, "chainID": "H", @@ -350184,7 +278544,7 @@ "L3": 1.53895625958702, "a7": 122.197832937406, "L1": 1.32761372825685, - "sidechain_ARG": 255, + "sidechain_ARG": 214, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -350201,7 +278561,7 @@ } }, { - "pk": 4712, + "pk": 3736, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -350223,11 +278583,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4713, + "next": 3737, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 4711, + "prev": 3735, "terminal_flag": false, "phi": -92.559779055217, "chainID": "H", @@ -350246,7 +278606,7 @@ "a7": 122.636378661005, "L1": 1.3286376412599, "sidechain_ARG": null, - "sidechain_TYR": 148, + "sidechain_TYR": 105, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -350262,12 +278622,12 @@ } }, { - "pk": 4713, + "pk": 3737, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 194, + "sidechain_ASN": 145, "chain": "1TWFH", "sidechain_ASP": null, "a6": 117.022752815459, @@ -350284,11 +278644,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4714, + "next": 3738, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 4712, + "prev": 3736, "terminal_flag": false, "phi": -129.408993605359, "chainID": "H", @@ -350323,7 +278683,7 @@ } }, { - "pk": 4714, + "pk": 3738, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -350340,16 +278700,16 @@ "protein": "1TWF", "zeta": 34.8443194058732, "sidechain_PHE": null, - "sidechain_LYS": 301, + "sidechain_LYS": 222, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4715, + "next": 3739, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4713, + "prev": 3737, "terminal_flag": false, "phi": -133.093834047165, "chainID": "H", @@ -350384,7 +278744,7 @@ } }, { - "pk": 4715, + "pk": 3739, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -350402,15 +278762,15 @@ "zeta": 34.5812567162221, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 312, + "sidechain_VAL": 260, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4716, + "next": 3740, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4714, + "prev": 3738, "terminal_flag": false, "phi": -114.331403031896, "chainID": "H", @@ -350445,7 +278805,7 @@ } }, { - "pk": 4716, + "pk": 3740, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -350457,7 +278817,7 @@ "psi": 149.728849638376, "oldID": "24", "bg": 76.69, - "sidechain_CYS": 90, + "sidechain_CYS": 72, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.5040917693623, @@ -350467,11 +278827,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4717, + "next": 3741, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4715, + "prev": 3739, "terminal_flag": false, "phi": -130.194876591664, "chainID": "H", @@ -350506,7 +278866,7 @@ } }, { - "pk": 4717, + "pk": 3741, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -350528,11 +278888,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4718, + "next": 3742, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4716, + "prev": 3740, "terminal_flag": false, "phi": -102.913597669658, "chainID": "H", @@ -350550,7 +278910,7 @@ "L3": 1.53584267618345, "a7": 123.791974624293, "L1": 1.32571184106716, - "sidechain_ARG": 256, + "sidechain_ARG": 215, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -350567,7 +278927,7 @@ } }, { - "pk": 4718, + "pk": 3742, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -350580,7 +278940,7 @@ "oldID": "26", "bg": 88.63, "sidechain_CYS": null, - "sidechain_ILE": 302, + "sidechain_ILE": 250, "protein": "1TWF", "zeta": 35.5838250616984, "sidechain_PHE": null, @@ -350589,11 +278949,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4719, + "next": 3743, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 4717, + "prev": 3741, "terminal_flag": false, "phi": -90.7245938295365, "chainID": "H", @@ -350628,7 +278988,7 @@ } }, { - "pk": 4719, + "pk": 3743, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -350650,11 +279010,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4720, + "next": 3744, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4718, + "prev": 3742, "terminal_flag": false, "phi": -143.712888424571, "chainID": "H", @@ -350674,7 +279034,7 @@ "L1": 1.32756615030204, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 336, + "sidechain_GLU": 278, "omep": null, "ss": "E", "a3": 108.100184309953, @@ -350689,7 +279049,7 @@ } }, { - "pk": 4720, + "pk": 3744, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -350711,11 +279071,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4721, + "next": 3745, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 4719, + "prev": 3743, "terminal_flag": false, "phi": -96.8786436812613, "chainID": "H", @@ -350750,7 +279110,7 @@ } }, { - "pk": 4721, + "pk": 3745, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -350772,11 +279132,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4722, + "next": 3746, "sidechain_SER": null, "bm": 110.0, "xpr": false, - "prev": 4720, + "prev": 3744, "terminal_flag": false, "phi": -82.323853682141, "chainID": "H", @@ -350811,7 +279171,7 @@ } }, { - "pk": 4722, + "pk": 3746, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -350833,11 +279193,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4723, - "sidechain_SER": 251, + "next": 3747, + "sidechain_SER": 205, "bm": 114.0, "xpr": false, - "prev": 4721, + "prev": 3745, "terminal_flag": false, "phi": -115.677939137039, "chainID": "H", @@ -350872,7 +279232,7 @@ } }, { - "pk": 4723, + "pk": 3747, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -350892,13 +279252,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 271, + "sidechain_THR": 210, "sidechain_TRP": null, - "next": 4724, + "next": 3748, "sidechain_SER": null, "bm": 118.0, "xpr": false, - "prev": 4722, + "prev": 3746, "terminal_flag": false, "phi": -79.5740701431038, "chainID": "H", @@ -350933,7 +279293,7 @@ } }, { - "pk": 4724, + "pk": 3748, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -350953,13 +279313,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 272, + "sidechain_THR": 211, "sidechain_TRP": null, - "next": 4725, + "next": 3749, "sidechain_SER": null, "bm": 120.0, "xpr": false, - "prev": 4723, + "prev": 3747, "terminal_flag": false, "phi": 58.2892480077743, "chainID": "H", @@ -350994,7 +279354,7 @@ } }, { - "pk": 4725, + "pk": 3749, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -351016,15 +279376,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4726, + "next": 3750, "sidechain_SER": null, "bm": 121.0, "xpr": false, - "prev": 4724, + "prev": 3748, "terminal_flag": false, "phi": -69.1312793196255, "chainID": "H", - "sidechain_GLN": 183, + "sidechain_GLN": 156, "ome": -179.502183743038, "chi2": 111.999032506083, "chi3": -58.5893284516302, @@ -351055,14 +279415,14 @@ } }, { - "pk": 4726, + "pk": 3750, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 295, + "sidechain_ASP": 242, "a6": 116.217621010547, "psi": -18.4957900342646, "oldID": "34", @@ -351077,11 +279437,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4727, + "next": 3751, "sidechain_SER": null, "bm": 121.0, "xpr": false, - "prev": 4725, + "prev": 3749, "terminal_flag": false, "phi": -83.740640623733, "chainID": "H", @@ -351116,7 +279476,7 @@ } }, { - "pk": 4727, + "pk": 3751, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -351138,15 +279498,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4728, + "next": 3752, "sidechain_SER": null, "bm": 118.0, "xpr": false, - "prev": 4726, + "prev": 3750, "terminal_flag": false, "phi": -63.0519166559864, "chainID": "H", - "sidechain_GLN": 184, + "sidechain_GLN": 157, "ome": -179.125596801761, "chi2": 169.4521982352, "chi3": -56.1977312877657, @@ -351177,7 +279537,7 @@ } }, { - "pk": 4728, + "pk": 3752, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -351189,7 +279549,7 @@ "psi": 128.185296783054, "oldID": "36", "bg": 110.26, - "sidechain_CYS": 91, + "sidechain_CYS": 73, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.2509246880304, @@ -351199,11 +279559,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4729, + "next": 3753, "sidechain_SER": null, "bm": 112.0, "xpr": false, - "prev": 4727, + "prev": 3751, "terminal_flag": false, "phi": -49.1882399042761, "chainID": "H", @@ -351238,7 +279598,7 @@ } }, { - "pk": 4729, + "pk": 3753, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -351255,16 +279615,16 @@ "protein": "1TWF", "zeta": 34.4583724123842, "sidechain_PHE": null, - "sidechain_LYS": 302, + "sidechain_LYS": 223, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4730, + "next": 3754, "sidechain_SER": null, "bm": 105.0, "xpr": false, - "prev": 4728, + "prev": 3752, "terminal_flag": false, "phi": -137.695159225149, "chainID": "H", @@ -351299,7 +279659,7 @@ } }, { - "pk": 4730, + "pk": 3754, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -351321,11 +279681,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4731, + "next": 3755, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4729, + "prev": 3753, "terminal_flag": false, "phi": -153.500153247512, "chainID": "H", @@ -351352,7 +279712,7 @@ "bs": 96.0, "a2": 109.635854055154, "a5": 120.785766700385, - "sidechain_LEU": 393, + "sidechain_LEU": 333, "chainIndex": 37, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -351360,7 +279720,7 @@ } }, { - "pk": 4731, + "pk": 3755, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -351380,13 +279740,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 273, + "sidechain_THR": 212, "sidechain_TRP": null, - "next": 4732, + "next": 3756, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4730, + "prev": 3754, "terminal_flag": false, "phi": -121.496678224291, "chainID": "H", @@ -351421,7 +279781,7 @@ } }, { - "pk": 4732, + "pk": 3756, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -351443,11 +279803,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4733, + "next": 3757, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4731, + "prev": 3755, "terminal_flag": false, "phi": -146.222854356024, "chainID": "H", @@ -351474,7 +279834,7 @@ "bs": 78.0, "a2": 109.140985112707, "a5": 120.711796156094, - "sidechain_LEU": 394, + "sidechain_LEU": 334, "chainIndex": 39, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -351482,14 +279842,14 @@ } }, { - "pk": 4733, + "pk": 3757, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 296, + "sidechain_ASP": 243, "a6": 116.742990904748, "psi": 139.77989170664, "oldID": "41", @@ -351504,11 +279864,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4734, + "next": 3758, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4732, + "prev": 3756, "terminal_flag": false, "phi": -90.2612125156307, "chainID": "H", @@ -351543,7 +279903,7 @@ } }, { - "pk": 4734, + "pk": 3758, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -351556,7 +279916,7 @@ "oldID": "42", "bg": 77.32, "sidechain_CYS": null, - "sidechain_ILE": 303, + "sidechain_ILE": 251, "protein": "1TWF", "zeta": 34.6105095893718, "sidechain_PHE": null, @@ -351565,11 +279925,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4735, + "next": 3759, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4733, + "prev": 3757, "terminal_flag": false, "phi": -141.150172759851, "chainID": "H", @@ -351604,12 +279964,12 @@ } }, { - "pk": 4735, + "pk": 3759, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 195, + "sidechain_ASN": 146, "chain": "1TWFH", "sidechain_ASP": null, "a6": 116.017354690817, @@ -351626,11 +279986,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4736, + "next": 3760, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4734, + "prev": 3758, "terminal_flag": false, "phi": -75.2335477647781, "chainID": "H", @@ -351665,7 +280025,7 @@ } }, { - "pk": 4736, + "pk": 3760, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -351683,15 +280043,15 @@ "zeta": 33.9526276523825, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 313, + "sidechain_VAL": 261, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4737, + "next": 3761, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 4735, + "prev": 3759, "terminal_flag": false, "phi": -52.1782615308549, "chainID": "H", @@ -351726,7 +280086,7 @@ } }, { - "pk": 4737, + "pk": 3761, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -351748,11 +280108,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4738, + "next": 3762, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4736, + "prev": 3760, "terminal_flag": false, "phi": -56.0259140028671, "chainID": "H", @@ -351772,7 +280132,7 @@ "L1": 1.33265610697299, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 337, + "sidechain_GLU": 279, "omep": null, "ss": "G", "a3": 113.234139689181, @@ -351787,7 +280147,7 @@ } }, { - "pk": 4738, + "pk": 3762, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -351809,11 +280169,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4739, + "next": 3763, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4737, + "prev": 3761, "terminal_flag": false, "phi": -98.1615145067423, "chainID": "H", @@ -351840,7 +280200,7 @@ "bs": 76.0, "a2": 109.189017112248, "a5": 120.455689003947, - "sidechain_LEU": 395, + "sidechain_LEU": 335, "chainIndex": 45, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -351848,7 +280208,7 @@ } }, { - "pk": 4739, + "pk": 3763, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -351864,17 +280224,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.2623141375332, - "sidechain_PHE": 183, + "sidechain_PHE": 150, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4740, + "next": 3764, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4738, + "prev": 3762, "terminal_flag": false, "phi": 174.614542648346, "chainID": "H", @@ -351909,11 +280269,11 @@ } }, { - "pk": 4740, + "pk": 3764, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 237, + "sidechain_PRO": 181, "sidechain_ASN": null, "chain": "1TWFH", "sidechain_ASP": null, @@ -351931,11 +280291,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4741, + "next": 3765, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4739, + "prev": 3763, "terminal_flag": false, "phi": -49.1983035912823, "chainID": "H", @@ -351970,7 +280330,7 @@ } }, { - "pk": 4741, + "pk": 3765, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -351988,15 +280348,15 @@ "zeta": 34.6900645691254, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 314, + "sidechain_VAL": 262, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4742, + "next": 3766, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4740, + "prev": 3764, "terminal_flag": false, "phi": -153.777893501921, "chainID": "H", @@ -352031,7 +280391,7 @@ } }, { - "pk": 4742, + "pk": 3766, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -352053,11 +280413,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4743, + "next": 3767, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4741, + "prev": 3765, "terminal_flag": false, "phi": -137.057438188883, "chainID": "H", @@ -352092,7 +280452,7 @@ } }, { - "pk": 4743, + "pk": 3767, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -352114,11 +280474,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4744, + "next": 3768, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4742, + "prev": 3766, "terminal_flag": false, "phi": -61.2263618345057, "chainID": "H", @@ -352153,7 +280513,7 @@ } }, { - "pk": 4744, + "pk": 3768, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -352175,15 +280535,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4745, + "next": 3769, "sidechain_SER": null, "bm": 96.0, "xpr": false, - "prev": 4743, + "prev": 3767, "terminal_flag": false, "phi": 38.7964473886019, "chainID": "H", - "sidechain_GLN": 185, + "sidechain_GLN": 158, "ome": 178.993126182543, "chi2": -156.634277120909, "chi3": 50.5885986903073, @@ -352214,14 +280574,14 @@ } }, { - "pk": 4745, + "pk": 3769, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 297, + "sidechain_ASP": 244, "a6": 116.570471049455, "psi": 174.256887935053, "oldID": "53", @@ -352236,11 +280596,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4746, + "next": 3770, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 4744, + "prev": 3768, "terminal_flag": false, "phi": -87.9321960945001, "chainID": "H", @@ -352275,7 +280635,7 @@ } }, { - "pk": 4746, + "pk": 3770, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -352297,11 +280657,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4747, - "sidechain_SER": 252, + "next": 3771, + "sidechain_SER": 206, "bm": 98.0, "xpr": false, - "prev": 4745, + "prev": 3769, "terminal_flag": false, "phi": -124.858827992875, "chainID": "H", @@ -352336,7 +280696,7 @@ } }, { - "pk": 4747, + "pk": 3771, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -352358,11 +280718,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4748, + "next": 3772, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4746, + "prev": 3770, "terminal_flag": false, "phi": -116.017093975089, "chainID": "H", @@ -352389,7 +280749,7 @@ "bs": 97.0, "a2": 110.230653801678, "a5": 121.174064430505, - "sidechain_LEU": 396, + "sidechain_LEU": 336, "chainIndex": 54, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -352397,7 +280757,7 @@ } }, { - "pk": 4748, + "pk": 3772, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -352417,13 +280777,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 274, + "sidechain_THR": 213, "sidechain_TRP": null, - "next": 4749, + "next": 3773, "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 4747, + "prev": 3771, "terminal_flag": false, "phi": -87.4047705880815, "chainID": "H", @@ -352458,7 +280818,7 @@ } }, { - "pk": 4749, + "pk": 3773, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -352476,15 +280836,15 @@ "zeta": 34.6283406594666, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 315, + "sidechain_VAL": 263, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4750, + "next": 3774, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 4748, + "prev": 3772, "terminal_flag": false, "phi": -110.352090916111, "chainID": "H", @@ -352519,7 +280879,7 @@ } }, { - "pk": 4750, + "pk": 3774, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -352539,13 +280899,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 275, + "sidechain_THR": 214, "sidechain_TRP": null, - "next": 4751, + "next": 3775, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 4749, + "prev": 3773, "terminal_flag": false, "phi": -128.021081325447, "chainID": "H", @@ -352580,7 +280940,7 @@ } }, { - "pk": 4751, + "pk": 3775, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -352593,7 +280953,7 @@ "oldID": "59", "bg": 97.72, "sidechain_CYS": null, - "sidechain_ILE": 304, + "sidechain_ILE": 252, "protein": "1TWF", "zeta": 33.5871588546871, "sidechain_PHE": null, @@ -352602,11 +280962,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4752, + "next": 3776, "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 4750, + "prev": 3774, "terminal_flag": false, "phi": -86.9897842471482, "chainID": "H", @@ -352641,7 +281001,7 @@ } }, { - "pk": 4752, + "pk": 3776, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -352663,11 +281023,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4753, + "next": 3777, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4751, + "prev": 3775, "terminal_flag": false, "phi": 57.6790850838729, "chainID": "H", @@ -352702,7 +281062,7 @@ } }, { - "pk": 4753, + "pk": 3777, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -352724,11 +281084,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4754, - "sidechain_SER": 253, + "next": 3778, + "sidechain_SER": 207, "bm": 96.0, "xpr": false, - "prev": 4752, + "prev": 3776, "terminal_flag": false, "phi": -171.640379458121, "chainID": "H", @@ -352763,7 +281123,7 @@ } }, { - "pk": 4754, + "pk": 3778, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -352785,11 +281145,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4755, - "sidechain_SER": 254, + "next": 3779, + "sidechain_SER": 208, "bm": 98.0, "xpr": false, - "prev": 4753, + "prev": 3777, "terminal_flag": false, "phi": -155.989705932066, "chainID": "H", @@ -352824,7 +281184,7 @@ } }, { - "pk": 4755, + "pk": 3779, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -352850,7 +281210,7 @@ "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 4754, + "prev": 3778, "terminal_flag": false, "phi": -33.7789460048799, "chainID": "H", @@ -352877,7 +281237,7 @@ "bs": 99.0, "a2": 109.864182086263, "a5": 120.795067890524, - "sidechain_LEU": 397, + "sidechain_LEU": 337, "chainIndex": 62, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -352885,7 +281245,7 @@ } }, { - "pk": 4756, + "pk": 3780, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -352905,9 +281265,9 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 276, + "sidechain_THR": 215, "sidechain_TRP": null, - "next": 4757, + "next": 3781, "sidechain_SER": null, "bm": 109.0, "xpr": false, @@ -352946,7 +281306,7 @@ } }, { - "pk": 4757, + "pk": 3781, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -352968,11 +281328,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4758, + "next": 3782, "sidechain_SER": null, "bm": 108.0, "xpr": false, - "prev": 4756, + "prev": 3780, "terminal_flag": false, "phi": 61.3012230342827, "chainID": "H", @@ -352990,7 +281350,7 @@ "L3": 1.52943347644578, "a7": 122.872009562107, "L1": 1.33014648256247, - "sidechain_ARG": 257, + "sidechain_ARG": 216, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -353007,7 +281367,7 @@ } }, { - "pk": 4758, + "pk": 3782, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -353029,11 +281389,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4759, - "sidechain_SER": 255, + "next": 3783, + "sidechain_SER": 209, "bm": 108.0, "xpr": false, - "prev": 4757, + "prev": 3781, "terminal_flag": false, "phi": -70.1584646733604, "chainID": "H", @@ -353068,7 +281428,7 @@ } }, { - "pk": 4759, + "pk": 3783, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -353089,12 +281449,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 62, - "next": 4760, + "sidechain_TRP": 30, + "next": 3784, "sidechain_SER": null, "bm": 109.0, "xpr": false, - "prev": 4758, + "prev": 3782, "terminal_flag": false, "phi": -143.023022371721, "chainID": "H", @@ -353129,7 +281489,7 @@ } }, { - "pk": 4760, + "pk": 3784, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -353151,11 +281511,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4761, + "next": 3785, "sidechain_SER": null, "bm": 115.0, "xpr": false, - "prev": 4759, + "prev": 3783, "terminal_flag": false, "phi": -123.836172781536, "chainID": "H", @@ -353173,7 +281533,7 @@ "L3": 1.53026101847763, "a7": 121.880186922677, "L1": 1.33021497031772, - "sidechain_ARG": 258, + "sidechain_ARG": 217, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -353190,11 +281550,11 @@ } }, { - "pk": 4761, + "pk": 3785, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 238, + "sidechain_PRO": 182, "sidechain_ASN": null, "chain": "1TWFH", "sidechain_ASP": null, @@ -353212,11 +281572,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4762, + "next": 3786, "sidechain_SER": null, "bm": 123.0, "xpr": false, - "prev": 4760, + "prev": 3784, "terminal_flag": false, "phi": -81.4569601837579, "chainID": "H", @@ -353251,11 +281611,11 @@ } }, { - "pk": 4762, + "pk": 3786, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 239, + "sidechain_PRO": 183, "sidechain_ASN": null, "chain": "1TWFH", "sidechain_ASP": null, @@ -353273,11 +281633,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4763, + "next": 3787, "sidechain_SER": null, "bm": 133.0, "xpr": false, - "prev": 4761, + "prev": 3785, "terminal_flag": false, "phi": -80.9185965014219, "chainID": "H", @@ -353312,7 +281672,7 @@ } }, { - "pk": 4763, + "pk": 3787, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -353334,15 +281694,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4764, + "next": 3788, "sidechain_SER": null, "bm": 141.0, "xpr": false, - "prev": 4762, + "prev": 3786, "terminal_flag": false, "phi": 60.4374263739728, "chainID": "H", - "sidechain_GLN": 186, + "sidechain_GLN": 159, "ome": 179.76849885044, "chi2": -169.207388379997, "chi3": -55.7600037336354, @@ -353373,7 +281733,7 @@ } }, { - "pk": 4764, + "pk": 3788, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -353395,11 +281755,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4765, + "next": 3789, "sidechain_SER": null, "bm": 145.0, "xpr": false, - "prev": 4763, + "prev": 3787, "terminal_flag": false, "phi": -62.0019310038848, "chainID": "H", @@ -353434,7 +281794,7 @@ } }, { - "pk": 4765, + "pk": 3789, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -353456,11 +281816,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4766, + "next": 3790, "sidechain_SER": null, "bm": 149.0, "xpr": false, - "prev": 4764, + "prev": 3788, "terminal_flag": false, "phi": -85.8510619321657, "chainID": "H", @@ -353495,14 +281855,14 @@ } }, { - "pk": 4766, + "pk": 3790, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 298, + "sidechain_ASP": 245, "a6": 114.909045606479, "psi": -26.241482535114, "oldID": "86", @@ -353517,11 +281877,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4767, + "next": 3791, "sidechain_SER": null, "bm": 148.0, "xpr": false, - "prev": 4765, + "prev": 3789, "terminal_flag": false, "phi": -140.59511793242, "chainID": "H", @@ -353556,7 +281916,7 @@ } }, { - "pk": 4767, + "pk": 3791, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -353578,11 +281938,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4768, + "next": 3792, "sidechain_SER": null, "bm": 144.0, "xpr": false, - "prev": 4766, + "prev": 3790, "terminal_flag": false, "phi": -99.6101519110927, "chainID": "H", @@ -353600,7 +281960,7 @@ "L3": 1.53180562743312, "a7": 122.679985967342, "L1": 1.32763454030148, - "sidechain_ARG": 259, + "sidechain_ARG": 218, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -353617,7 +281977,7 @@ } }, { - "pk": 4768, + "pk": 3792, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -353639,11 +281999,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4769, - "sidechain_SER": 256, + "next": 3793, + "sidechain_SER": 210, "bm": 136.0, "xpr": false, - "prev": 4767, + "prev": 3791, "terminal_flag": false, "phi": -76.0221933534658, "chainID": "H", @@ -353678,7 +282038,7 @@ } }, { - "pk": 4769, + "pk": 3793, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -353700,11 +282060,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4770, + "next": 3794, "sidechain_SER": null, "bm": 128.0, "xpr": false, - "prev": 4768, + "prev": 3792, "terminal_flag": false, "phi": -65.8497919040905, "chainID": "H", @@ -353731,7 +282091,7 @@ "bs": 129.0, "a2": 109.908914577095, "a5": 120.455014338924, - "sidechain_LEU": 398, + "sidechain_LEU": 338, "chainIndex": 76, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -353739,7 +282099,7 @@ } }, { - "pk": 4770, + "pk": 3794, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -353761,11 +282121,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4771, + "next": 3795, "sidechain_SER": null, "bm": 119.0, "xpr": false, - "prev": 4769, + "prev": 3793, "terminal_flag": false, "phi": -75.2771578684646, "chainID": "H", @@ -353800,14 +282160,14 @@ } }, { - "pk": 4771, + "pk": 3795, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 299, + "sidechain_ASP": 246, "a6": 115.936560073859, "psi": 94.3980817537196, "oldID": "91", @@ -353822,11 +282182,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4772, + "next": 3796, "sidechain_SER": null, "bm": 114.0, "xpr": false, - "prev": 4770, + "prev": 3794, "terminal_flag": false, "phi": -125.397236495369, "chainID": "H", @@ -353861,14 +282221,14 @@ } }, { - "pk": 4772, + "pk": 3796, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 300, + "sidechain_ASP": 247, "a6": 115.6255682136, "psi": 33.8793191069391, "oldID": "92", @@ -353883,11 +282243,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4773, + "next": 3797, "sidechain_SER": null, "bm": 108.0, "xpr": false, - "prev": 4771, + "prev": 3795, "terminal_flag": false, "phi": -93.7953589882221, "chainID": "H", @@ -353922,7 +282282,7 @@ } }, { - "pk": 4773, + "pk": 3797, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -353944,11 +282304,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4774, + "next": 3798, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 4772, + "prev": 3796, "terminal_flag": false, "phi": -131.294189777863, "chainID": "H", @@ -353967,7 +282327,7 @@ "a7": 123.164114576472, "L1": 1.32994699795793, "sidechain_ARG": null, - "sidechain_TYR": 149, + "sidechain_TYR": 106, "sidechain_GLU": null, "omep": null, "ss": "S", @@ -353983,14 +282343,14 @@ } }, { - "pk": 4774, + "pk": 3798, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 301, + "sidechain_ASP": 248, "a6": 115.744394511385, "psi": -46.4793498927907, "oldID": "94", @@ -354005,11 +282365,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4775, + "next": 3799, "sidechain_SER": null, "bm": 96.0, "xpr": false, - "prev": 4773, + "prev": 3797, "terminal_flag": false, "phi": -118.587847939388, "chainID": "H", @@ -354044,7 +282404,7 @@ } }, { - "pk": 4775, + "pk": 3799, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -354066,11 +282426,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4776, + "next": 3800, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4774, + "prev": 3798, "terminal_flag": false, "phi": -96.0837527731641, "chainID": "H", @@ -354089,7 +282449,7 @@ "a7": 122.287463710272, "L1": 1.32637448338424, "sidechain_ARG": null, - "sidechain_TYR": 150, + "sidechain_TYR": 107, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -354105,7 +282465,7 @@ } }, { - "pk": 4776, + "pk": 3800, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -354123,15 +282483,15 @@ "zeta": 35.0739107501247, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 316, + "sidechain_VAL": 264, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4777, + "next": 3801, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4775, + "prev": 3799, "terminal_flag": false, "phi": -143.108169150358, "chainID": "H", @@ -354166,7 +282526,7 @@ } }, { - "pk": 4777, + "pk": 3801, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -354185,14 +282545,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 134, + "sidechain_MET": 107, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4778, + "next": 3802, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4776, + "prev": 3800, "terminal_flag": false, "phi": -108.848513709568, "chainID": "H", @@ -354227,7 +282587,7 @@ } }, { - "pk": 4778, + "pk": 3802, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -354249,11 +282609,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4779, + "next": 3803, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4777, + "prev": 3801, "terminal_flag": false, "phi": -155.763072761241, "chainID": "H", @@ -354272,7 +282632,7 @@ "a7": 122.861609577736, "L1": 1.32444539926555, "sidechain_ARG": null, - "sidechain_TYR": 151, + "sidechain_TYR": 108, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -354288,7 +282648,7 @@ } }, { - "pk": 4779, + "pk": 3803, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -354310,11 +282670,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4780, + "next": 3804, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4778, + "prev": 3802, "terminal_flag": false, "phi": -141.731282317848, "chainID": "H", @@ -354349,7 +282709,7 @@ } }, { - "pk": 4780, + "pk": 3804, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -354369,13 +282729,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 277, + "sidechain_THR": 216, "sidechain_TRP": null, - "next": 4781, + "next": 3805, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4779, + "prev": 3803, "terminal_flag": false, "phi": -112.660848899758, "chainID": "H", @@ -354410,7 +282770,7 @@ } }, { - "pk": 4781, + "pk": 3805, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -354432,11 +282792,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4782, + "next": 3806, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 4780, + "prev": 3804, "terminal_flag": false, "phi": -93.3515753570806, "chainID": "H", @@ -354471,7 +282831,7 @@ } }, { - "pk": 4782, + "pk": 3806, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -354493,11 +282853,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4783, + "next": 3807, "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4781, + "prev": 3805, "terminal_flag": false, "phi": -104.962175578439, "chainID": "H", @@ -354516,7 +282876,7 @@ "a7": 124.75066350324, "L1": 1.32920329592325, "sidechain_ARG": null, - "sidechain_TYR": 152, + "sidechain_TYR": 109, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -354532,7 +282892,7 @@ } }, { - "pk": 4783, + "pk": 3807, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -354549,16 +282909,16 @@ "protein": "1TWF", "zeta": 34.3730280684842, "sidechain_PHE": null, - "sidechain_LYS": 303, + "sidechain_LYS": 224, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4784, + "next": 3808, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 4782, + "prev": 3806, "terminal_flag": false, "phi": -19.7657317036539, "chainID": "H", @@ -354593,7 +282953,7 @@ } }, { - "pk": 4784, + "pk": 3808, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -354609,17 +282969,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3217024839334, - "sidechain_PHE": 184, + "sidechain_PHE": 151, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4785, + "next": 3809, "sidechain_SER": null, "bm": 125.0, "xpr": false, - "prev": 4783, + "prev": 3807, "terminal_flag": false, "phi": -108.637673172444, "chainID": "H", @@ -354654,7 +283014,7 @@ } }, { - "pk": 4785, + "pk": 3809, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -354676,11 +283036,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4786, + "next": 3810, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 4784, + "prev": 3808, "terminal_flag": false, "phi": -51.5366717890275, "chainID": "H", @@ -354700,7 +283060,7 @@ "L1": 1.33282958617442, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 338, + "sidechain_GLU": 280, "omep": null, "ss": "-", "a3": 107.581741228945, @@ -354715,7 +283075,7 @@ } }, { - "pk": 4786, + "pk": 3810, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -354737,11 +283097,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4787, + "next": 3811, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 4785, + "prev": 3809, "terminal_flag": false, "phi": -62.0569797864767, "chainID": "H", @@ -354761,7 +283121,7 @@ "L1": 1.32697499353587, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 339, + "sidechain_GLU": 281, "omep": null, "ss": "-", "a3": 112.883049600246, @@ -354776,7 +283136,7 @@ } }, { - "pk": 4787, + "pk": 3811, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -354794,15 +283154,15 @@ "zeta": 35.0896415407431, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 317, + "sidechain_VAL": 265, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4788, + "next": 3812, "sidechain_SER": null, "bm": 131.0, "xpr": false, - "prev": 4786, + "prev": 3810, "terminal_flag": false, "phi": 51.1928924777687, "chainID": "H", @@ -354837,7 +283197,7 @@ } }, { - "pk": 4788, + "pk": 3812, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -354859,11 +283219,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4789, - "sidechain_SER": 257, + "next": 3813, + "sidechain_SER": 211, "bm": 131.0, "xpr": false, - "prev": 4787, + "prev": 3811, "terminal_flag": false, "phi": -62.1987168091059, "chainID": "H", @@ -354898,7 +283258,7 @@ } }, { - "pk": 4789, + "pk": 3813, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -354915,16 +283275,16 @@ "protein": "1TWF", "zeta": 33.9899944279651, "sidechain_PHE": null, - "sidechain_LYS": 304, + "sidechain_LYS": 225, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4790, + "next": 3814, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 4788, + "prev": 3812, "terminal_flag": false, "phi": 57.3298638634133, "chainID": "H", @@ -354959,14 +283319,14 @@ } }, { - "pk": 4790, + "pk": 3814, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFH", - "sidechain_ASP": 302, + "sidechain_ASP": 249, "a6": 115.866654088209, "psi": -1.45419217156882, "oldID": "110", @@ -354981,11 +283341,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4791, + "next": 3815, "sidechain_SER": null, "bm": 127.0, "xpr": false, - "prev": 4789, + "prev": 3813, "terminal_flag": false, "phi": -127.13162386176, "chainID": "H", @@ -355020,7 +283380,7 @@ } }, { - "pk": 4791, + "pk": 3815, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -355042,11 +283402,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4792, + "next": 3816, "sidechain_SER": null, "bm": 122.0, "xpr": false, - "prev": 4790, + "prev": 3814, "terminal_flag": false, "phi": -98.2643512405156, "chainID": "H", @@ -355073,7 +283433,7 @@ "bs": 123.0, "a2": 110.074686729299, "a5": 120.701250422932, - "sidechain_LEU": 399, + "sidechain_LEU": 339, "chainIndex": 98, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -355081,7 +283441,7 @@ } }, { - "pk": 4792, + "pk": 3816, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -355094,7 +283454,7 @@ "oldID": "112", "bg": 117.15, "sidechain_CYS": null, - "sidechain_ILE": 305, + "sidechain_ILE": 253, "protein": "1TWF", "zeta": 34.8719451364915, "sidechain_PHE": null, @@ -355103,11 +283463,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4793, + "next": 3817, "sidechain_SER": null, "bm": 115.0, "xpr": false, - "prev": 4791, + "prev": 3815, "terminal_flag": false, "phi": -130.110774152904, "chainID": "H", @@ -355142,7 +283502,7 @@ } }, { - "pk": 4793, + "pk": 3817, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -355164,11 +283524,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4794, + "next": 3818, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 4792, + "prev": 3816, "terminal_flag": false, "phi": -106.06763992736, "chainID": "H", @@ -355203,7 +283563,7 @@ } }, { - "pk": 4794, + "pk": 3818, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -355221,15 +283581,15 @@ "zeta": 34.5104732710708, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 318, + "sidechain_VAL": 266, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4795, + "next": 3819, "sidechain_SER": null, "bm": 97.0, "xpr": false, - "prev": 4793, + "prev": 3817, "terminal_flag": false, "phi": -108.480130219458, "chainID": "H", @@ -355264,7 +283624,7 @@ } }, { - "pk": 4795, + "pk": 3819, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -355286,11 +283646,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4796, + "next": 3820, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 4794, + "prev": 3818, "terminal_flag": false, "phi": -130.866042267468, "chainID": "H", @@ -355309,7 +283669,7 @@ "a7": 122.991523695669, "L1": 1.33377753141361, "sidechain_ARG": null, - "sidechain_TYR": 153, + "sidechain_TYR": 110, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -355325,7 +283685,7 @@ } }, { - "pk": 4796, + "pk": 3820, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -355347,11 +283707,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4797, + "next": 3821, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 4795, + "prev": 3819, "terminal_flag": false, "phi": -127.604925612463, "chainID": "H", @@ -355370,7 +283730,7 @@ "a7": 122.799053416644, "L1": 1.32852767584454, "sidechain_ARG": null, - "sidechain_TYR": 154, + "sidechain_TYR": 111, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -355386,7 +283746,7 @@ } }, { - "pk": 4797, + "pk": 3821, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -355408,11 +283768,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4798, - "sidechain_SER": 258, + "next": 3822, + "sidechain_SER": 212, "bm": 73.0, "xpr": false, - "prev": 4796, + "prev": 3820, "terminal_flag": false, "phi": -124.720972513231, "chainID": "H", @@ -355447,7 +283807,7 @@ } }, { - "pk": 4798, + "pk": 3822, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -355463,17 +283823,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8941638216667, - "sidechain_PHE": 185, + "sidechain_PHE": 152, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4799, + "next": 3823, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 4797, + "prev": 3821, "terminal_flag": false, "phi": -104.735891105992, "chainID": "H", @@ -355508,7 +283868,7 @@ } }, { - "pk": 4799, + "pk": 3823, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -355530,11 +283890,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4800, + "next": 3824, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 4798, + "prev": 3822, "terminal_flag": false, "phi": 55.7979333733855, "chainID": "H", @@ -355569,7 +283929,7 @@ } }, { - "pk": 4800, + "pk": 3824, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -355591,11 +283951,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4801, + "next": 3825, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4799, + "prev": 3823, "terminal_flag": false, "phi": 110.863605589442, "chainID": "H", @@ -355630,7 +283990,7 @@ } }, { - "pk": 4801, + "pk": 3825, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -355652,11 +284012,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4802, + "next": 3826, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4800, + "prev": 3824, "terminal_flag": false, "phi": -80.4767851108953, "chainID": "H", @@ -355683,7 +284043,7 @@ "bs": 64.0, "a2": 110.459132292177, "a5": 120.58396001891, - "sidechain_LEU": 400, + "sidechain_LEU": 340, "chainIndex": 108, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -355691,7 +284051,7 @@ } }, { - "pk": 4802, + "pk": 3826, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -355713,11 +284073,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4803, + "next": 3827, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 4801, + "prev": 3825, "terminal_flag": false, "phi": -89.7987024858154, "chainID": "H", @@ -355744,7 +284104,7 @@ "bs": 69.0, "a2": 108.523963287329, "a5": 120.809813440809, - "sidechain_LEU": 401, + "sidechain_LEU": 341, "chainIndex": 109, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -355752,7 +284112,7 @@ } }, { - "pk": 4803, + "pk": 3827, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -355771,14 +284131,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 135, + "sidechain_MET": 108, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4804, + "next": 3828, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4802, + "prev": 3826, "terminal_flag": false, "phi": -149.741077432354, "chainID": "H", @@ -355813,7 +284173,7 @@ } }, { - "pk": 4804, + "pk": 3828, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -355835,11 +284195,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4805, + "next": 3829, "sidechain_SER": null, "bm": 90.0, "xpr": false, - "prev": 4803, + "prev": 3827, "terminal_flag": false, "phi": -152.917754160289, "chainID": "H", @@ -355857,7 +284217,7 @@ "L3": 1.52519632749391, "a7": 123.130182800946, "L1": 1.3268561965573, - "sidechain_ARG": 260, + "sidechain_ARG": 219, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -355874,7 +284234,7 @@ } }, { - "pk": 4805, + "pk": 3829, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -355896,11 +284256,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4806, + "next": 3830, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 4804, + "prev": 3828, "terminal_flag": false, "phi": -105.087168291029, "chainID": "H", @@ -355927,7 +284287,7 @@ "bs": 100.0, "a2": 110.054103856804, "a5": 120.054980486274, - "sidechain_LEU": 402, + "sidechain_LEU": 342, "chainIndex": 112, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -355935,7 +284295,7 @@ } }, { - "pk": 4806, + "pk": 3830, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -355957,11 +284317,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4807, + "next": 3831, "sidechain_SER": null, "bm": 111.0, "xpr": false, - "prev": 4805, + "prev": 3829, "terminal_flag": false, "phi": -131.360461474756, "chainID": "H", @@ -355981,7 +284341,7 @@ "L1": 1.32963333602042, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 340, + "sidechain_GLU": 282, "omep": null, "ss": "E", "a3": 111.214555141886, @@ -355996,7 +284356,7 @@ } }, { - "pk": 4807, + "pk": 3831, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -356018,11 +284378,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4808, + "next": 3832, "sidechain_SER": null, "bm": 121.0, "xpr": false, - "prev": 4806, + "prev": 3830, "terminal_flag": false, "phi": -141.515700060312, "chainID": "H", @@ -356057,12 +284417,12 @@ } }, { - "pk": 4808, + "pk": 3832, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 196, + "sidechain_ASN": 147, "chain": "1TWFH", "sidechain_ASP": null, "a6": 116.051741129002, @@ -356079,11 +284439,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4809, + "next": 3833, "sidechain_SER": null, "bm": 128.0, "xpr": false, - "prev": 4807, + "prev": 3831, "terminal_flag": false, "phi": 177.051998378134, "chainID": "H", @@ -356118,7 +284478,7 @@ } }, { - "pk": 4809, + "pk": 3833, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -356140,11 +284500,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4810, + "next": 3834, "sidechain_SER": null, "bm": 134.0, "xpr": false, - "prev": 4808, + "prev": 3832, "terminal_flag": false, "phi": -87.5068142834343, "chainID": "H", @@ -356163,7 +284523,7 @@ "a7": 123.023823539577, "L1": 1.32613778030989, "sidechain_ARG": null, - "sidechain_TYR": 155, + "sidechain_TYR": 112, "sidechain_GLU": null, "omep": null, "ss": "T", @@ -356179,7 +284539,7 @@ } }, { - "pk": 4810, + "pk": 3834, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -356201,11 +284561,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4811, + "next": 3835, "sidechain_SER": null, "bm": 138.0, "xpr": false, - "prev": 4809, + "prev": 3833, "terminal_flag": false, "phi": -108.263280580739, "chainID": "H", @@ -356223,7 +284583,7 @@ "L3": 1.52693140994566, "a7": 123.233804629374, "L1": 1.32993607053058, - "sidechain_ARG": 261, + "sidechain_ARG": 220, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -356240,12 +284600,12 @@ } }, { - "pk": 4811, + "pk": 3835, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 197, + "sidechain_ASN": 148, "chain": "1TWFH", "sidechain_ASP": null, "a6": 116.771109450365, @@ -356262,11 +284622,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4812, + "next": 3836, "sidechain_SER": null, "bm": 140.0, "xpr": false, - "prev": 4810, + "prev": 3834, "terminal_flag": false, "phi": -43.2575611204337, "chainID": "H", @@ -356301,7 +284661,7 @@ } }, { - "pk": 4812, + "pk": 3836, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -356323,11 +284683,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4813, + "next": 3837, "sidechain_SER": null, "bm": 141.0, "xpr": false, - "prev": 4811, + "prev": 3835, "terminal_flag": false, "phi": -97.0592424291825, "chainID": "H", @@ -356354,7 +284714,7 @@ "bs": 142.0, "a2": 110.111426947526, "a5": 121.149515149402, - "sidechain_LEU": 403, + "sidechain_LEU": 343, "chainIndex": 119, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -356362,12 +284722,12 @@ } }, { - "pk": 4813, + "pk": 3837, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 198, + "sidechain_ASN": 149, "chain": "1TWFH", "sidechain_ASP": null, "a6": 115.767179934504, @@ -356384,11 +284744,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4814, + "next": 3838, "sidechain_SER": null, "bm": 141.0, "xpr": false, - "prev": 4812, + "prev": 3836, "terminal_flag": false, "phi": -116.605776425443, "chainID": "H", @@ -356423,12 +284783,12 @@ } }, { - "pk": 4814, + "pk": 3838, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 199, + "sidechain_ASN": 150, "chain": "1TWFH", "sidechain_ASP": null, "a6": 116.108871249938, @@ -356445,11 +284805,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4815, + "next": 3839, "sidechain_SER": null, "bm": 139.0, "xpr": false, - "prev": 4813, + "prev": 3837, "terminal_flag": false, "phi": -54.9047678890394, "chainID": "H", @@ -356484,7 +284844,7 @@ } }, { - "pk": 4815, + "pk": 3839, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -356506,11 +284866,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4816, + "next": 3840, "sidechain_SER": null, "bm": 138.0, "xpr": false, - "prev": 4814, + "prev": 3838, "terminal_flag": false, "phi": -64.2387961491279, "chainID": "H", @@ -356537,7 +284897,7 @@ "bs": 138.0, "a2": 110.570711437626, "a5": 121.46840449068, - "sidechain_LEU": 404, + "sidechain_LEU": 344, "chainIndex": 122, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -356545,7 +284905,7 @@ } }, { - "pk": 4816, + "pk": 3840, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -356562,16 +284922,16 @@ "protein": "1TWF", "zeta": 34.9039883320447, "sidechain_PHE": null, - "sidechain_LYS": 305, + "sidechain_LYS": 226, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4817, + "next": 3841, "sidechain_SER": null, "bm": 138.0, "xpr": false, - "prev": 4815, + "prev": 3839, "terminal_flag": false, "phi": -130.634863604022, "chainID": "H", @@ -356606,7 +284966,7 @@ } }, { - "pk": 4817, + "pk": 3841, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -356628,15 +284988,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4818, + "next": 3842, "sidechain_SER": null, "bm": 136.0, "xpr": false, - "prev": 4816, + "prev": 3840, "terminal_flag": false, "phi": -126.246436756578, "chainID": "H", - "sidechain_GLN": 187, + "sidechain_GLN": 160, "ome": -179.582727195389, "chi2": 100.08792891604, "chi3": 59.8702602746751, @@ -356667,7 +285027,7 @@ } }, { - "pk": 4818, + "pk": 3842, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -356689,11 +285049,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4819, + "next": 3843, "sidechain_SER": null, "bm": 132.0, "xpr": false, - "prev": 4817, + "prev": 3841, "terminal_flag": false, "phi": -49.6660477535662, "chainID": "H", @@ -356713,7 +285073,7 @@ "L1": 1.3322053146475, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 341, + "sidechain_GLU": 283, "omep": null, "ss": "S", "a3": 113.947306628902, @@ -356728,12 +285088,12 @@ } }, { - "pk": 4819, + "pk": 3843, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 200, + "sidechain_ASN": 151, "chain": "1TWFH", "sidechain_ASP": null, "a6": 115.64326215434, @@ -356750,11 +285110,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4820, + "next": 3844, "sidechain_SER": null, "bm": 124.0, "xpr": false, - "prev": 4818, + "prev": 3842, "terminal_flag": false, "phi": -29.4787397668035, "chainID": "H", @@ -356789,7 +285149,7 @@ } }, { - "pk": 4820, + "pk": 3844, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -356811,11 +285171,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4821, + "next": 3845, "sidechain_SER": null, "bm": 110.0, "xpr": false, - "prev": 4819, + "prev": 3843, "terminal_flag": false, "phi": -164.38944008442, "chainID": "H", @@ -356850,7 +285210,7 @@ } }, { - "pk": 4821, + "pk": 3845, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -356872,11 +285232,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4822, + "next": 3846, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 4820, + "prev": 3844, "terminal_flag": false, "phi": -86.2179046328296, "chainID": "H", @@ -356895,7 +285255,7 @@ "a7": 122.74278204076, "L1": 1.33258177570322, "sidechain_ARG": null, - "sidechain_TYR": 156, + "sidechain_TYR": 113, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -356911,7 +285271,7 @@ } }, { - "pk": 4822, + "pk": 3846, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -356933,11 +285293,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4823, + "next": 3847, "sidechain_SER": null, "bm": 95.0, "xpr": false, - "prev": 4821, + "prev": 3845, "terminal_flag": false, "phi": -147.651066421552, "chainID": "H", @@ -356964,7 +285324,7 @@ "bs": 92.0, "a2": 110.849168424366, "a5": 120.838298889044, - "sidechain_LEU": 405, + "sidechain_LEU": 345, "chainIndex": 129, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -356972,7 +285332,7 @@ } }, { - "pk": 4823, + "pk": 3847, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -356994,11 +285354,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4824, + "next": 3848, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 4822, + "prev": 3846, "terminal_flag": false, "phi": -123.538326687569, "chainID": "H", @@ -357025,7 +285385,7 @@ "bs": 98.0, "a2": 108.950371386174, "a5": 120.956632988078, - "sidechain_LEU": 406, + "sidechain_LEU": 346, "chainIndex": 130, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -357033,7 +285393,7 @@ } }, { - "pk": 4824, + "pk": 3848, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -357046,7 +285406,7 @@ "oldID": "144", "bg": 106.63, "sidechain_CYS": null, - "sidechain_ILE": 306, + "sidechain_ILE": 254, "protein": "1TWF", "zeta": 34.9283998515178, "sidechain_PHE": null, @@ -357055,11 +285415,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4825, + "next": 3849, "sidechain_SER": null, "bm": 108.0, "xpr": false, - "prev": 4823, + "prev": 3847, "terminal_flag": false, "phi": -142.673974978563, "chainID": "H", @@ -357094,7 +285454,7 @@ } }, { - "pk": 4825, + "pk": 3849, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -357116,11 +285476,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4826, + "next": 3850, "sidechain_SER": null, "bm": 116.0, "xpr": false, - "prev": 4824, + "prev": 3848, "terminal_flag": false, "phi": -140.110031646376, "chainID": "H", @@ -357138,7 +285498,7 @@ "L3": 1.53278202063482, "a7": 123.876295020675, "L1": 1.33027631471487, - "sidechain_ARG": 262, + "sidechain_ARG": 221, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -357155,7 +285515,7 @@ } }, { - "pk": 4826, + "pk": 3850, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -357181,7 +285541,7 @@ "sidechain_SER": null, "bm": 124.0, "xpr": false, - "prev": 4825, + "prev": 3849, "terminal_flag": false, "phi": 58.4143792614525, "chainID": "H", @@ -357199,7 +285559,7 @@ "L3": 1.52714720986489, "a7": null, "L1": 1.33193963376745, - "sidechain_ARG": 263, + "sidechain_ARG": 222, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -357216,7 +285576,7 @@ } }, { - "pk": 4827, + "pk": 3851, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -357235,10 +285595,10 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 136, + "sidechain_MET": 109, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4828, + "next": 3852, "sidechain_SER": null, "bm": 94.0, "xpr": false, @@ -357277,12 +285637,12 @@ } }, { - "pk": 4828, + "pk": 3852, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 201, + "sidechain_ASN": 152, "chain": "1TWFK", "sidechain_ASP": null, "a6": 115.711009918849, @@ -357299,11 +285659,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4829, + "next": 3853, "sidechain_SER": null, "bm": 88.0, "xpr": false, - "prev": 4827, + "prev": 3851, "terminal_flag": false, "phi": -79.0461024712144, "chainID": "K", @@ -357338,7 +285698,7 @@ } }, { - "pk": 4829, + "pk": 3853, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -357360,11 +285720,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4830, + "next": 3854, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4828, + "prev": 3852, "terminal_flag": false, "phi": -64.1029968063424, "chainID": "K", @@ -357399,11 +285759,11 @@ } }, { - "pk": 4830, + "pk": 3854, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 240, + "sidechain_PRO": 184, "sidechain_ASN": null, "chain": "1TWFK", "sidechain_ASP": null, @@ -357421,11 +285781,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4831, + "next": 3855, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4829, + "prev": 3853, "terminal_flag": false, "phi": -76.4604664863655, "chainID": "K", @@ -357460,14 +285820,14 @@ } }, { - "pk": 4831, + "pk": 3855, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFK", - "sidechain_ASP": 303, + "sidechain_ASP": 250, "a6": 116.173346279166, "psi": 155.671553952468, "oldID": "5", @@ -357482,11 +285842,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4832, + "next": 3856, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4830, + "prev": 3854, "terminal_flag": false, "phi": -58.0581537760321, "chainID": "K", @@ -357521,7 +285881,7 @@ } }, { - "pk": 4832, + "pk": 3856, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -357543,11 +285903,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4833, + "next": 3857, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4831, + "prev": 3855, "terminal_flag": false, "phi": -71.7013893496501, "chainID": "K", @@ -357565,7 +285925,7 @@ "L3": 1.51885167148307, "a7": 122.956695322701, "L1": 1.32594888686005, - "sidechain_ARG": 264, + "sidechain_ARG": 223, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -357582,7 +285942,7 @@ } }, { - "pk": 4833, + "pk": 3857, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -357598,17 +285958,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 32.7873576207232, - "sidechain_PHE": 186, + "sidechain_PHE": 153, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4834, + "next": 3858, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4832, + "prev": 3856, "terminal_flag": false, "phi": -60.2245605543893, "chainID": "K", @@ -357643,7 +286003,7 @@ } }, { - "pk": 4834, + "pk": 3858, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -357665,11 +286025,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4835, + "next": 3859, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4833, + "prev": 3857, "terminal_flag": false, "phi": -58.8842173602958, "chainID": "K", @@ -357689,7 +286049,7 @@ "L1": 1.33204678821572, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 342, + "sidechain_GLU": 284, "omep": null, "ss": "G", "a3": 111.412271315192, @@ -357704,7 +286064,7 @@ } }, { - "pk": 4835, + "pk": 3859, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -357726,11 +286086,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4836, + "next": 3860, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4834, + "prev": 3858, "terminal_flag": false, "phi": -73.2068672629113, "chainID": "K", @@ -357757,7 +286117,7 @@ "bs": 59.0, "a2": 110.24244246513, "a5": 120.227421965166, - "sidechain_LEU": 407, + "sidechain_LEU": 347, "chainIndex": 9, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -357765,7 +286125,7 @@ } }, { - "pk": 4836, + "pk": 3860, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -357781,17 +286141,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.8295395199343, - "sidechain_PHE": 187, + "sidechain_PHE": 154, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4837, + "next": 3861, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4835, + "prev": 3859, "terminal_flag": false, "phi": -138.378305055154, "chainID": "K", @@ -357826,7 +286186,7 @@ } }, { - "pk": 4837, + "pk": 3861, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -357848,11 +286208,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4838, + "next": 3862, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 4836, + "prev": 3860, "terminal_flag": false, "phi": -105.835365785527, "chainID": "K", @@ -357879,7 +286239,7 @@ "bs": 64.0, "a2": 109.721713486643, "a5": 120.31028489516, - "sidechain_LEU": 408, + "sidechain_LEU": 348, "chainIndex": 11, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -357887,7 +286247,7 @@ } }, { - "pk": 4838, + "pk": 3862, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -357909,11 +286269,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4839, + "next": 3863, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 4837, + "prev": 3861, "terminal_flag": false, "phi": -71.2574057392005, "chainID": "K", @@ -357940,7 +286300,7 @@ "bs": 71.0, "a2": 111.160556091426, "a5": 120.738560479646, - "sidechain_LEU": 409, + "sidechain_LEU": 349, "chainIndex": 12, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -357948,7 +286308,7 @@ } }, { - "pk": 4839, + "pk": 3863, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -357970,11 +286330,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4840, + "next": 3864, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4838, + "prev": 3862, "terminal_flag": false, "phi": -76.6330744752932, "chainID": "K", @@ -358009,7 +286369,7 @@ } }, { - "pk": 4840, + "pk": 3864, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -358031,11 +286391,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4841, + "next": 3865, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 4839, + "prev": 3863, "terminal_flag": false, "phi": -62.1128120357213, "chainID": "K", @@ -358055,7 +286415,7 @@ "L1": 1.32577739141926, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 343, + "sidechain_GLU": 285, "omep": null, "ss": "T", "a3": 110.512214355683, @@ -358070,7 +286430,7 @@ } }, { - "pk": 4841, + "pk": 3865, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -358092,11 +286452,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4842, + "next": 3866, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 4840, + "prev": 3864, "terminal_flag": false, "phi": 73.7122128924882, "chainID": "K", @@ -358131,7 +286491,7 @@ } }, { - "pk": 4842, + "pk": 3866, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -358153,11 +286513,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4843, + "next": 3867, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 4841, + "prev": 3865, "terminal_flag": false, "phi": -131.329385452044, "chainID": "K", @@ -358177,7 +286537,7 @@ "L1": 1.32879997831331, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 344, + "sidechain_GLU": 286, "omep": null, "ss": "-", "a3": 111.60576387445, @@ -358192,7 +286552,7 @@ } }, { - "pk": 4843, + "pk": 3867, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -358214,11 +286574,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4844, - "sidechain_SER": 259, + "next": 3868, + "sidechain_SER": 213, "bm": 77.0, "xpr": false, - "prev": 4842, + "prev": 3866, "terminal_flag": false, "phi": -120.459054802551, "chainID": "K", @@ -358253,7 +286613,7 @@ } }, { - "pk": 4844, + "pk": 3868, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -358270,16 +286630,16 @@ "protein": "1TWF", "zeta": 34.3338317979226, "sidechain_PHE": null, - "sidechain_LYS": 306, + "sidechain_LYS": 227, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4845, + "next": 3869, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4843, + "prev": 3867, "terminal_flag": false, "phi": -64.2592565790199, "chainID": "K", @@ -358314,7 +286674,7 @@ } }, { - "pk": 4845, + "pk": 3869, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -358336,11 +286696,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4846, + "next": 3870, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4844, + "prev": 3868, "terminal_flag": false, "phi": -129.876650282689, "chainID": "K", @@ -358367,7 +286727,7 @@ "bs": 64.0, "a2": 110.579514085648, "a5": 121.406344718327, - "sidechain_LEU": 410, + "sidechain_LEU": 350, "chainIndex": 19, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -358375,7 +286735,7 @@ } }, { - "pk": 4846, + "pk": 3870, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -358392,16 +286752,16 @@ "protein": "1TWF", "zeta": 35.6026901128954, "sidechain_PHE": null, - "sidechain_LYS": 307, + "sidechain_LYS": 228, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4847, + "next": 3871, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4845, + "prev": 3869, "terminal_flag": false, "phi": -127.285564872356, "chainID": "K", @@ -358436,7 +286796,7 @@ } }, { - "pk": 4847, + "pk": 3871, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -358449,7 +286809,7 @@ "oldID": "21", "bg": 73.08, "sidechain_CYS": null, - "sidechain_ILE": 307, + "sidechain_ILE": 255, "protein": "1TWF", "zeta": 34.2049927862208, "sidechain_PHE": null, @@ -358458,11 +286818,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4848, + "next": 3872, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4846, + "prev": 3870, "terminal_flag": false, "phi": -106.276837523297, "chainID": "K", @@ -358497,14 +286857,14 @@ } }, { - "pk": 4848, + "pk": 3872, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFK", - "sidechain_ASP": 304, + "sidechain_ASP": 251, "a6": 116.873614591515, "psi": 148.836761385561, "oldID": "22", @@ -358519,11 +286879,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4849, + "next": 3873, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4847, + "prev": 3871, "terminal_flag": false, "phi": -135.205070166904, "chainID": "K", @@ -358558,11 +286918,11 @@ } }, { - "pk": 4849, + "pk": 3873, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 241, + "sidechain_PRO": 185, "sidechain_ASN": null, "chain": "1TWFK", "sidechain_ASP": null, @@ -358580,11 +286940,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4850, + "next": 3874, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4848, + "prev": 3872, "terminal_flag": false, "phi": -77.8827685910741, "chainID": "K", @@ -358619,14 +286979,14 @@ } }, { - "pk": 4850, + "pk": 3874, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFK", - "sidechain_ASP": 305, + "sidechain_ASP": 252, "a6": 116.786296121744, "psi": 135.708908833153, "oldID": "24", @@ -358641,11 +287001,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4851, + "next": 3875, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4849, + "prev": 3873, "terminal_flag": false, "phi": -77.6203786733925, "chainID": "K", @@ -358680,7 +287040,7 @@ } }, { - "pk": 4851, + "pk": 3875, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -358700,13 +287060,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 278, + "sidechain_THR": 217, "sidechain_TRP": null, - "next": 4852, + "next": 3876, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 4850, + "prev": 3874, "terminal_flag": false, "phi": -93.5243035893757, "chainID": "K", @@ -358741,7 +287101,7 @@ } }, { - "pk": 4852, + "pk": 3876, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -358758,16 +287118,16 @@ "protein": "1TWF", "zeta": 34.5240659423522, "sidechain_PHE": null, - "sidechain_LYS": 308, + "sidechain_LYS": 229, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4853, + "next": 3877, "sidechain_SER": null, "bm": 82.0, "xpr": false, - "prev": 4851, + "prev": 3875, "terminal_flag": false, "phi": -57.7932228093788, "chainID": "K", @@ -358802,7 +287162,7 @@ } }, { - "pk": 4853, + "pk": 3877, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -358824,11 +287184,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4854, + "next": 3878, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4852, + "prev": 3876, "terminal_flag": false, "phi": -161.947136006853, "chainID": "K", @@ -358863,11 +287223,11 @@ } }, { - "pk": 4854, + "pk": 3878, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 242, + "sidechain_PRO": 186, "sidechain_ASN": null, "chain": "1TWFK", "sidechain_ASP": null, @@ -358885,11 +287245,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4855, + "next": 3879, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4853, + "prev": 3877, "terminal_flag": false, "phi": -82.5731865334959, "chainID": "K", @@ -358924,12 +287284,12 @@ } }, { - "pk": 4855, + "pk": 3879, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 202, + "sidechain_ASN": 153, "chain": "1TWFK", "sidechain_ASP": null, "a6": 116.099632612796, @@ -358946,11 +287306,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4856, + "next": 3880, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 4854, + "prev": 3878, "terminal_flag": false, "phi": 61.0116146999405, "chainID": "K", @@ -358985,7 +287345,7 @@ } }, { - "pk": 4856, + "pk": 3880, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -359007,11 +287367,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4857, + "next": 3881, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4855, + "prev": 3879, "terminal_flag": false, "phi": -119.080363743414, "chainID": "K", @@ -359046,7 +287406,7 @@ } }, { - "pk": 4857, + "pk": 3881, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -359064,15 +287424,15 @@ "zeta": 34.5498486659551, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 319, + "sidechain_VAL": 267, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4858, + "next": 3882, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4856, + "prev": 3880, "terminal_flag": false, "phi": -139.942936138876, "chainID": "K", @@ -359107,7 +287467,7 @@ } }, { - "pk": 4858, + "pk": 3882, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -359125,15 +287485,15 @@ "zeta": 34.7864173891015, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 320, + "sidechain_VAL": 268, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4859, + "next": 3883, "sidechain_SER": null, "bm": 55.0, "xpr": false, - "prev": 4857, + "prev": 3881, "terminal_flag": false, "phi": -125.895815575186, "chainID": "K", @@ -359168,7 +287528,7 @@ } }, { - "pk": 4859, + "pk": 3883, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -359181,7 +287541,7 @@ "oldID": "33", "bg": 53.07, "sidechain_CYS": null, - "sidechain_ILE": 308, + "sidechain_ILE": 256, "protein": "1TWF", "zeta": 35.1190831986468, "sidechain_PHE": null, @@ -359190,11 +287550,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4860, + "next": 3884, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4858, + "prev": 3882, "terminal_flag": false, "phi": -96.0454344816977, "chainID": "K", @@ -359229,7 +287589,7 @@ } }, { - "pk": 4860, + "pk": 3884, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -359249,13 +287609,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 279, + "sidechain_THR": 218, "sidechain_TRP": null, - "next": 4861, + "next": 3885, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4859, + "prev": 3883, "terminal_flag": false, "phi": -101.338286689446, "chainID": "K", @@ -359290,7 +287650,7 @@ } }, { - "pk": 4861, + "pk": 3885, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -359306,17 +287666,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3381512905077, - "sidechain_PHE": 188, + "sidechain_PHE": 155, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4862, + "next": 3886, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4860, + "prev": 3884, "terminal_flag": false, "phi": -84.139707394961, "chainID": "K", @@ -359351,7 +287711,7 @@ } }, { - "pk": 4862, + "pk": 3886, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -359373,11 +287733,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4863, + "next": 3887, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4861, + "prev": 3885, "terminal_flag": false, "phi": -92.2058125511426, "chainID": "K", @@ -359397,7 +287757,7 @@ "L1": 1.33000848335488, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 345, + "sidechain_GLU": 287, "omep": null, "ss": "E", "a3": 112.529061941183, @@ -359412,7 +287772,7 @@ } }, { - "pk": 4863, + "pk": 3887, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -359429,16 +287789,16 @@ "protein": "1TWF", "zeta": 33.8534054406168, "sidechain_PHE": null, - "sidechain_LYS": 309, + "sidechain_LYS": 230, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4864, + "next": 3888, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4862, + "prev": 3886, "terminal_flag": false, "phi": 63.0493132577793, "chainID": "K", @@ -359473,7 +287833,7 @@ } }, { - "pk": 4864, + "pk": 3888, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -359495,11 +287855,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4865, + "next": 3889, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4863, + "prev": 3887, "terminal_flag": false, "phi": -151.290679766503, "chainID": "K", @@ -359519,7 +287879,7 @@ "L1": 1.32862819964949, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 346, + "sidechain_GLU": 288, "omep": null, "ss": "-", "a3": 108.314591451814, @@ -359534,14 +287894,14 @@ } }, { - "pk": 4865, + "pk": 3889, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFK", - "sidechain_ASP": 306, + "sidechain_ASP": 253, "a6": 116.125101237863, "psi": -157.118494062703, "oldID": "39", @@ -359556,11 +287916,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4866, + "next": 3890, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4864, + "prev": 3888, "terminal_flag": false, "phi": -130.894295909262, "chainID": "K", @@ -359595,7 +287955,7 @@ } }, { - "pk": 4866, + "pk": 3890, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -359617,11 +287977,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4867, + "next": 3891, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4865, + "prev": 3889, "terminal_flag": false, "phi": -48.4277308866656, "chainID": "K", @@ -359650,13 +288010,13 @@ "a5": 119.98362558066, "sidechain_LEU": null, "chainIndex": 40, - "sidechain_HIS": 126, + "sidechain_HIS": 104, "h_bond_energy": 0.0, "a4": 108.614278462618 } }, { - "pk": 4867, + "pk": 3891, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -359676,13 +288036,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 280, + "sidechain_THR": 219, "sidechain_TRP": null, - "next": 4868, + "next": 3892, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4866, + "prev": 3890, "terminal_flag": false, "phi": -57.9800285377249, "chainID": "K", @@ -359717,7 +288077,7 @@ } }, { - "pk": 4868, + "pk": 3892, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -359739,11 +288099,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4869, + "next": 3893, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4867, + "prev": 3891, "terminal_flag": false, "phi": -90.2905571341795, "chainID": "K", @@ -359770,7 +288130,7 @@ "bs": 49.0, "a2": 108.592248680807, "a5": 120.727808428619, - "sidechain_LEU": 411, + "sidechain_LEU": 351, "chainIndex": 42, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -359778,7 +288138,7 @@ } }, { - "pk": 4869, + "pk": 3893, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -359800,11 +288160,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4870, + "next": 3894, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4868, + "prev": 3892, "terminal_flag": false, "phi": -47.1642460450141, "chainID": "K", @@ -359839,12 +288199,12 @@ } }, { - "pk": 4870, + "pk": 3894, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 203, + "sidechain_ASN": 154, "chain": "1TWFK", "sidechain_ASP": null, "a6": 116.643608715364, @@ -359861,11 +288221,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4871, + "next": 3895, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4869, + "prev": 3893, "terminal_flag": false, "phi": -72.0712135314911, "chainID": "K", @@ -359900,7 +288260,7 @@ } }, { - "pk": 4871, + "pk": 3895, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -359922,11 +288282,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4872, + "next": 3896, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4870, + "prev": 3894, "terminal_flag": false, "phi": -73.6947644843447, "chainID": "K", @@ -359953,7 +288313,7 @@ "bs": 47.0, "a2": 111.001605006359, "a5": 121.04117010899, - "sidechain_LEU": 412, + "sidechain_LEU": 352, "chainIndex": 45, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -359961,7 +288321,7 @@ } }, { - "pk": 4872, + "pk": 3896, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -359974,7 +288334,7 @@ "oldID": "46", "bg": 48.18, "sidechain_CYS": null, - "sidechain_ILE": 309, + "sidechain_ILE": 257, "protein": "1TWF", "zeta": 34.6493070909342, "sidechain_PHE": null, @@ -359983,11 +288343,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4873, + "next": 3897, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4871, + "prev": 3895, "terminal_flag": false, "phi": -57.3112583216217, "chainID": "K", @@ -360022,7 +288382,7 @@ } }, { - "pk": 4873, + "pk": 3897, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -360044,11 +288404,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4874, + "next": 3898, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4872, + "prev": 3896, "terminal_flag": false, "phi": -64.7497149035609, "chainID": "K", @@ -360066,7 +288426,7 @@ "L3": 1.53173340698104, "a7": 123.124793038323, "L1": 1.32702173252488, - "sidechain_ARG": 265, + "sidechain_ARG": 224, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -360083,7 +288443,7 @@ } }, { - "pk": 4874, + "pk": 3898, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -360105,11 +288465,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4875, + "next": 3899, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4873, + "prev": 3897, "terminal_flag": false, "phi": -58.3510266601878, "chainID": "K", @@ -360144,7 +288504,7 @@ } }, { - "pk": 4875, + "pk": 3899, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -360166,11 +288526,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4876, + "next": 3900, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4874, + "prev": 3898, "terminal_flag": false, "phi": -73.0122303261888, "chainID": "K", @@ -360190,7 +288550,7 @@ "L1": 1.33041940403673, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 347, + "sidechain_GLU": 289, "omep": null, "ss": "H", "a3": 111.216529314919, @@ -360205,7 +288565,7 @@ } }, { - "pk": 4876, + "pk": 3900, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -360227,11 +288587,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4877, + "next": 3901, "sidechain_SER": null, "bm": 63.0, "xpr": false, - "prev": 4875, + "prev": 3899, "terminal_flag": false, "phi": -52.5484371965106, "chainID": "K", @@ -360258,7 +288618,7 @@ "bs": 61.0, "a2": 110.183357352235, "a5": 120.779301176, - "sidechain_LEU": 413, + "sidechain_LEU": 353, "chainIndex": 50, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -360266,7 +288626,7 @@ } }, { - "pk": 4877, + "pk": 3901, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -360288,11 +288648,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4878, + "next": 3902, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4876, + "prev": 3900, "terminal_flag": false, "phi": -81.9699872122819, "chainID": "K", @@ -360319,7 +288679,7 @@ "bs": 64.0, "a2": 109.314324656782, "a5": 120.407297755738, - "sidechain_LEU": 414, + "sidechain_LEU": 354, "chainIndex": 51, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -360327,12 +288687,12 @@ } }, { - "pk": 4878, + "pk": 3902, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 204, + "sidechain_ASN": 155, "chain": "1TWFK", "sidechain_ASP": null, "a6": 115.778482537717, @@ -360349,11 +288709,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4879, + "next": 3903, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4877, + "prev": 3901, "terminal_flag": false, "phi": -71.9175103021345, "chainID": "K", @@ -360388,14 +288748,14 @@ } }, { - "pk": 4879, + "pk": 3903, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFK", - "sidechain_ASP": 307, + "sidechain_ASP": 254, "a6": 117.062154001443, "psi": 123.428671457969, "oldID": "53", @@ -360410,11 +288770,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4880, + "next": 3904, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4878, + "prev": 3902, "terminal_flag": false, "phi": -74.7922576558343, "chainID": "K", @@ -360449,7 +288809,7 @@ } }, { - "pk": 4880, + "pk": 3904, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -360471,11 +288831,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4881, + "next": 3905, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 4879, + "prev": 3903, "terminal_flag": false, "phi": -76.8665679633987, "chainID": "K", @@ -360493,7 +288853,7 @@ "L3": 1.52810867395928, "a7": 122.64622585304, "L1": 1.32960848252725, - "sidechain_ARG": 266, + "sidechain_ARG": 225, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -360510,7 +288870,7 @@ } }, { - "pk": 4881, + "pk": 3905, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -360527,16 +288887,16 @@ "protein": "1TWF", "zeta": 34.0178568885557, "sidechain_PHE": null, - "sidechain_LYS": 310, + "sidechain_LYS": 231, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4882, + "next": 3906, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4880, + "prev": 3904, "terminal_flag": false, "phi": -81.588286212656, "chainID": "K", @@ -360571,7 +288931,7 @@ } }, { - "pk": 4882, + "pk": 3906, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -360589,15 +288949,15 @@ "zeta": 34.3200843448137, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 321, + "sidechain_VAL": 269, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4883, + "next": 3907, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 4881, + "prev": 3905, "terminal_flag": false, "phi": -106.553863659384, "chainID": "K", @@ -360632,7 +288992,7 @@ } }, { - "pk": 4883, + "pk": 3907, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -360654,11 +289014,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4884, + "next": 3908, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4882, + "prev": 3906, "terminal_flag": false, "phi": -80.8110716727444, "chainID": "K", @@ -360685,7 +289045,7 @@ "bs": 68.0, "a2": 108.684106985496, "a5": 120.4276651457, - "sidechain_LEU": 415, + "sidechain_LEU": 355, "chainIndex": 57, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -360693,7 +289053,7 @@ } }, { - "pk": 4884, + "pk": 3908, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -360709,17 +289069,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.3507620340383, - "sidechain_PHE": 189, + "sidechain_PHE": 156, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4885, + "next": 3909, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4883, + "prev": 3907, "terminal_flag": false, "phi": -152.421039538008, "chainID": "K", @@ -360754,7 +289114,7 @@ } }, { - "pk": 4885, + "pk": 3909, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -360776,11 +289136,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4886, + "next": 3910, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 4884, + "prev": 3908, "terminal_flag": false, "phi": -156.565672653711, "chainID": "K", @@ -360815,7 +289175,7 @@ } }, { - "pk": 4886, + "pk": 3910, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -360837,11 +289197,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4887, + "next": 3911, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4885, + "prev": 3909, "terminal_flag": false, "phi": -153.66994317701, "chainID": "K", @@ -360876,7 +289236,7 @@ } }, { - "pk": 4887, + "pk": 3911, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -360898,11 +289258,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4888, + "next": 3912, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4886, + "prev": 3910, "terminal_flag": false, "phi": -143.138079042071, "chainID": "K", @@ -360921,7 +289281,7 @@ "a7": 122.061150789179, "L1": 1.32879254957146, "sidechain_ARG": null, - "sidechain_TYR": 157, + "sidechain_TYR": 114, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -360937,7 +289297,7 @@ } }, { - "pk": 4888, + "pk": 3912, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -360954,16 +289314,16 @@ "protein": "1TWF", "zeta": 36.0639638797723, "sidechain_PHE": null, - "sidechain_LYS": 311, + "sidechain_LYS": 232, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4889, + "next": 3913, "sidechain_SER": null, "bm": 36.0, "xpr": false, - "prev": 4887, + "prev": 3911, "terminal_flag": false, "phi": -157.901513263317, "chainID": "K", @@ -360998,7 +289358,7 @@ } }, { - "pk": 4889, + "pk": 3913, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -361016,15 +289376,15 @@ "zeta": 32.7555855202562, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 322, + "sidechain_VAL": 270, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4890, + "next": 3914, "sidechain_SER": null, "bm": 29.0, "xpr": false, - "prev": 4888, + "prev": 3912, "terminal_flag": false, "phi": -104.302441090442, "chainID": "K", @@ -361059,7 +289419,7 @@ } }, { - "pk": 4890, + "pk": 3914, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -361081,11 +289441,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4891, + "next": 3915, "sidechain_SER": null, "bm": 32.0, "xpr": false, - "prev": 4889, + "prev": 3913, "terminal_flag": false, "phi": -57.8693102223152, "chainID": "K", @@ -361105,7 +289465,7 @@ "L1": 1.32743051521162, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 348, + "sidechain_GLU": 290, "omep": null, "ss": "S", "a3": 116.456426615789, @@ -361120,7 +289480,7 @@ } }, { - "pk": 4891, + "pk": 3915, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -361142,11 +289502,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4892, + "next": 3916, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4890, + "prev": 3914, "terminal_flag": false, "phi": -157.138557772043, "chainID": "K", @@ -361175,17 +289535,17 @@ "a5": 121.732713033631, "sidechain_LEU": null, "chainIndex": 65, - "sidechain_HIS": 127, + "sidechain_HIS": 105, "h_bond_energy": 0.0, "a4": 108.352249857631 } }, { - "pk": 4892, + "pk": 3916, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 243, + "sidechain_PRO": 187, "sidechain_ASN": null, "chain": "1TWFK", "sidechain_ASP": null, @@ -361203,11 +289563,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4893, + "next": 3917, "sidechain_SER": null, "bm": 33.0, "xpr": false, - "prev": 4891, + "prev": 3915, "terminal_flag": false, "phi": -53.0455713945538, "chainID": "K", @@ -361242,7 +289602,7 @@ } }, { - "pk": 4893, + "pk": 3917, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -361258,17 +289618,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.3885945205375, - "sidechain_PHE": 190, + "sidechain_PHE": 157, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4894, + "next": 3918, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4892, + "prev": 3916, "terminal_flag": false, "phi": -64.8126647178503, "chainID": "K", @@ -361303,7 +289663,7 @@ } }, { - "pk": 4894, + "pk": 3918, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -361319,17 +289679,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.6737710462499, - "sidechain_PHE": 191, + "sidechain_PHE": 158, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4895, + "next": 3919, "sidechain_SER": null, "bm": 43.0, "xpr": false, - "prev": 4893, + "prev": 3917, "terminal_flag": false, "phi": -98.9556266113134, "chainID": "K", @@ -361364,7 +289724,7 @@ } }, { - "pk": 4895, + "pk": 3919, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -361386,11 +289746,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4896, + "next": 3920, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4894, + "prev": 3918, "terminal_flag": false, "phi": -90.1093942240212, "chainID": "K", @@ -361425,7 +289785,7 @@ } }, { - "pk": 4896, + "pk": 3920, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -361447,11 +289807,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4897, + "next": 3921, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4895, + "prev": 3919, "terminal_flag": false, "phi": -167.768238192209, "chainID": "K", @@ -361469,7 +289829,7 @@ "L3": 1.52709247448969, "a7": 123.125784266499, "L1": 1.32729747481155, - "sidechain_ARG": 267, + "sidechain_ARG": 226, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -361486,7 +289846,7 @@ } }, { - "pk": 4897, + "pk": 3921, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -361502,17 +289862,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.7252634393527, - "sidechain_PHE": 192, + "sidechain_PHE": 159, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4898, + "next": 3922, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4896, + "prev": 3920, "terminal_flag": false, "phi": -146.012732887728, "chainID": "K", @@ -361547,7 +289907,7 @@ } }, { - "pk": 4898, + "pk": 3922, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -361564,16 +289924,16 @@ "protein": "1TWF", "zeta": 33.6476002160878, "sidechain_PHE": null, - "sidechain_LYS": 312, + "sidechain_LYS": 233, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4899, + "next": 3923, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4897, + "prev": 3921, "terminal_flag": false, "phi": -109.172624339589, "chainID": "K", @@ -361608,7 +289968,7 @@ } }, { - "pk": 4899, + "pk": 3923, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -361630,11 +289990,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4900, + "next": 3924, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4898, + "prev": 3922, "terminal_flag": false, "phi": -119.880826261201, "chainID": "K", @@ -361661,7 +290021,7 @@ "bs": 45.0, "a2": 109.381438565315, "a5": 121.066973391128, - "sidechain_LEU": 416, + "sidechain_LEU": 356, "chainIndex": 73, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -361669,7 +290029,7 @@ } }, { - "pk": 4900, + "pk": 3924, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -361691,11 +290051,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4901, + "next": 3925, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4899, + "prev": 3923, "terminal_flag": false, "phi": -110.111948576302, "chainID": "K", @@ -361713,7 +290073,7 @@ "L3": 1.53639744504041, "a7": 123.743634667792, "L1": 1.32604826748464, - "sidechain_ARG": 268, + "sidechain_ARG": 227, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -361730,7 +290090,7 @@ } }, { - "pk": 4901, + "pk": 3925, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -361743,7 +290103,7 @@ "oldID": "75", "bg": 55.32, "sidechain_CYS": null, - "sidechain_ILE": 310, + "sidechain_ILE": 258, "protein": "1TWF", "zeta": 34.7589480884826, "sidechain_PHE": null, @@ -361752,11 +290112,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4902, + "next": 3926, "sidechain_SER": null, "bm": 54.0, "xpr": false, - "prev": 4900, + "prev": 3924, "terminal_flag": false, "phi": -130.498501529693, "chainID": "K", @@ -361791,7 +290151,7 @@ } }, { - "pk": 4902, + "pk": 3926, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -361813,15 +290173,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4903, + "next": 3927, "sidechain_SER": null, "bm": 62.0, "xpr": false, - "prev": 4901, + "prev": 3925, "terminal_flag": false, "phi": -132.593250278149, "chainID": "K", - "sidechain_GLN": 188, + "sidechain_GLN": 161, "ome": -179.540981259952, "chi2": -165.039814685027, "chi3": -158.931351730212, @@ -361852,7 +290212,7 @@ } }, { - "pk": 4903, + "pk": 3927, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -361872,13 +290232,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 281, + "sidechain_THR": 220, "sidechain_TRP": null, - "next": 4904, + "next": 3928, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4902, + "prev": 3926, "terminal_flag": false, "phi": -137.536261641807, "chainID": "K", @@ -361913,7 +290273,7 @@ } }, { - "pk": 4904, + "pk": 3928, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -361933,13 +290293,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 282, + "sidechain_THR": 221, "sidechain_TRP": null, - "next": 4905, + "next": 3929, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 4903, + "prev": 3927, "terminal_flag": false, "phi": -61.8971434615172, "chainID": "K", @@ -361974,7 +290334,7 @@ } }, { - "pk": 4905, + "pk": 3929, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -361996,11 +290356,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4906, + "next": 3930, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4904, + "prev": 3928, "terminal_flag": false, "phi": -55.6773397315198, "chainID": "K", @@ -362020,7 +290380,7 @@ "L1": 1.33091712730408, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 349, + "sidechain_GLU": 291, "omep": null, "ss": "T", "a3": 108.977610199475, @@ -362035,7 +290395,7 @@ } }, { - "pk": 4906, + "pk": 3930, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -362057,11 +290417,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4907, + "next": 3931, "sidechain_SER": null, "bm": 77.0, "xpr": false, - "prev": 4905, + "prev": 3929, "terminal_flag": false, "phi": 89.1886614513036, "chainID": "K", @@ -362096,7 +290456,7 @@ } }, { - "pk": 4907, + "pk": 3931, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -362118,11 +290478,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4908, + "next": 3932, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 4906, + "prev": 3930, "terminal_flag": false, "phi": -84.9046049139368, "chainID": "K", @@ -362141,7 +290501,7 @@ "a7": 122.638877508614, "L1": 1.33232109886069, "sidechain_ARG": null, - "sidechain_TYR": 158, + "sidechain_TYR": 115, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -362157,14 +290517,14 @@ } }, { - "pk": 4908, + "pk": 3932, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFK", - "sidechain_ASP": 308, + "sidechain_ASP": 255, "a6": 116.786938781362, "psi": 133.185087637526, "oldID": "82", @@ -362179,11 +290539,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4909, + "next": 3933, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 4907, + "prev": 3931, "terminal_flag": false, "phi": -82.9301075046389, "chainID": "K", @@ -362218,11 +290578,11 @@ } }, { - "pk": 4909, + "pk": 3933, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 244, + "sidechain_PRO": 188, "sidechain_ASN": null, "chain": "1TWFK", "sidechain_ASP": null, @@ -362240,11 +290600,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4910, + "next": 3934, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4908, + "prev": 3932, "terminal_flag": false, "phi": -61.2701222120645, "chainID": "K", @@ -362279,7 +290639,7 @@ } }, { - "pk": 4910, + "pk": 3934, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -362296,16 +290656,16 @@ "protein": "1TWF", "zeta": 34.9089789936698, "sidechain_PHE": null, - "sidechain_LYS": 313, + "sidechain_LYS": 234, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4911, + "next": 3935, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4909, + "prev": 3933, "terminal_flag": false, "phi": -61.3950752036679, "chainID": "K", @@ -362340,14 +290700,14 @@ } }, { - "pk": 4911, + "pk": 3935, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFK", - "sidechain_ASP": 309, + "sidechain_ASP": 256, "a6": 116.949579990991, "psi": -36.2613839887198, "oldID": "85", @@ -362362,11 +290722,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4912, + "next": 3936, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4910, + "prev": 3934, "terminal_flag": false, "phi": -83.9383216484735, "chainID": "K", @@ -362401,7 +290761,7 @@ } }, { - "pk": 4912, + "pk": 3936, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -362423,11 +290783,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4913, + "next": 3937, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4911, + "prev": 3935, "terminal_flag": false, "phi": -63.7351551109121, "chainID": "K", @@ -362462,7 +290822,7 @@ } }, { - "pk": 4913, + "pk": 3937, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -362484,11 +290844,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4914, + "next": 3938, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 4912, + "prev": 3936, "terminal_flag": false, "phi": -69.3014904516908, "chainID": "K", @@ -362515,7 +290875,7 @@ "bs": 60.0, "a2": 110.711472454826, "a5": 120.791763084167, - "sidechain_LEU": 417, + "sidechain_LEU": 357, "chainIndex": 87, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -362523,7 +290883,7 @@ } }, { - "pk": 4914, + "pk": 3938, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -362540,16 +290900,16 @@ "protein": "1TWF", "zeta": 34.8600971120819, "sidechain_PHE": null, - "sidechain_LYS": 314, + "sidechain_LYS": 235, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4915, + "next": 3939, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 4913, + "prev": 3937, "terminal_flag": false, "phi": -70.3665008102268, "chainID": "K", @@ -362584,12 +290944,12 @@ } }, { - "pk": 4915, + "pk": 3939, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 205, + "sidechain_ASN": 156, "chain": "1TWFK", "sidechain_ASP": null, "a6": 116.268205921641, @@ -362606,11 +290966,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4916, + "next": 3940, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4914, + "prev": 3938, "terminal_flag": false, "phi": -60.459626971109, "chainID": "K", @@ -362645,7 +291005,7 @@ } }, { - "pk": 4916, + "pk": 3940, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -362667,11 +291027,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4917, + "next": 3941, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4915, + "prev": 3939, "terminal_flag": false, "phi": -67.9978079541991, "chainID": "K", @@ -362706,7 +291066,7 @@ } }, { - "pk": 4917, + "pk": 3941, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -362718,7 +291078,7 @@ "psi": -53.9655599965545, "oldID": "91", "bg": 61.24, - "sidechain_CYS": 92, + "sidechain_CYS": 74, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.2313259376024, @@ -362728,11 +291088,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4918, + "next": 3942, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4916, + "prev": 3940, "terminal_flag": false, "phi": -55.2241385183327, "chainID": "K", @@ -362767,12 +291127,12 @@ } }, { - "pk": 4918, + "pk": 3942, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 206, + "sidechain_ASN": 157, "chain": "1TWFK", "sidechain_ASP": null, "a6": 116.632681347432, @@ -362789,11 +291149,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4919, + "next": 3943, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4917, + "prev": 3941, "terminal_flag": false, "phi": -57.3793575981153, "chainID": "K", @@ -362828,7 +291188,7 @@ } }, { - "pk": 4919, + "pk": 3943, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -362850,11 +291210,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4920, - "sidechain_SER": 260, + "next": 3944, + "sidechain_SER": 214, "bm": 68.0, "xpr": false, - "prev": 4918, + "prev": 3942, "terminal_flag": false, "phi": -58.4970693744968, "chainID": "K", @@ -362889,7 +291249,7 @@ } }, { - "pk": 4920, + "pk": 3944, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -362902,7 +291262,7 @@ "oldID": "94", "bg": 69.79, "sidechain_CYS": null, - "sidechain_ILE": 311, + "sidechain_ILE": 259, "protein": "1TWF", "zeta": 34.4786527796801, "sidechain_PHE": null, @@ -362911,11 +291271,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4921, + "next": 3945, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 4919, + "prev": 3943, "terminal_flag": false, "phi": -71.840557403447, "chainID": "K", @@ -362950,7 +291310,7 @@ } }, { - "pk": 4921, + "pk": 3945, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -362963,7 +291323,7 @@ "oldID": "95", "bg": 62.62, "sidechain_CYS": null, - "sidechain_ILE": 312, + "sidechain_ILE": 260, "protein": "1TWF", "zeta": 34.0784493825997, "sidechain_PHE": null, @@ -362972,11 +291332,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4922, + "next": 3946, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4920, + "prev": 3944, "terminal_flag": false, "phi": -47.5921224141078, "chainID": "K", @@ -363011,12 +291371,12 @@ } }, { - "pk": 4922, + "pk": 3946, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 207, + "sidechain_ASN": 158, "chain": "1TWFK", "sidechain_ASP": null, "a6": 116.931467871571, @@ -363033,11 +291393,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4923, + "next": 3947, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4921, + "prev": 3945, "terminal_flag": false, "phi": -66.2415552138523, "chainID": "K", @@ -363072,7 +291432,7 @@ } }, { - "pk": 4923, + "pk": 3947, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -363089,16 +291449,16 @@ "protein": "1TWF", "zeta": 34.3586416559591, "sidechain_PHE": null, - "sidechain_LYS": 315, + "sidechain_LYS": 236, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4924, + "next": 3948, "sidechain_SER": null, "bm": 64.0, "xpr": false, - "prev": 4922, + "prev": 3946, "terminal_flag": false, "phi": -49.7829451005233, "chainID": "K", @@ -363133,7 +291493,7 @@ } }, { - "pk": 4924, + "pk": 3948, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -363155,11 +291515,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4925, + "next": 3949, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4923, + "prev": 3947, "terminal_flag": false, "phi": -71.9108751780553, "chainID": "K", @@ -363186,7 +291546,7 @@ "bs": 66.0, "a2": 110.420371697532, "a5": 120.46259860172, - "sidechain_LEU": 418, + "sidechain_LEU": 358, "chainIndex": 98, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -363194,7 +291554,7 @@ } }, { - "pk": 4925, + "pk": 3949, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -363216,11 +291576,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4926, + "next": 3950, "sidechain_SER": null, "bm": 65.0, "xpr": false, - "prev": 4924, + "prev": 3948, "terminal_flag": false, "phi": -56.6083568181094, "chainID": "K", @@ -363255,7 +291615,7 @@ } }, { - "pk": 4926, + "pk": 3950, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -363277,11 +291637,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4927, + "next": 3951, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 4925, + "prev": 3949, "terminal_flag": false, "phi": -63.8706578633264, "chainID": "K", @@ -363316,7 +291676,7 @@ } }, { - "pk": 4927, + "pk": 3951, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -363338,11 +291698,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4928, + "next": 3952, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4926, + "prev": 3950, "terminal_flag": false, "phi": -67.9425496345899, "chainID": "K", @@ -363369,7 +291729,7 @@ "bs": 70.0, "a2": 109.680019029479, "a5": 120.667629766893, - "sidechain_LEU": 419, + "sidechain_LEU": 359, "chainIndex": 101, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -363377,7 +291737,7 @@ } }, { - "pk": 4928, + "pk": 3952, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -363394,16 +291754,16 @@ "protein": "1TWF", "zeta": 34.9256356447833, "sidechain_PHE": null, - "sidechain_LYS": 316, + "sidechain_LYS": 237, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4929, + "next": 3953, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4927, + "prev": 3951, "terminal_flag": false, "phi": -62.8364241396695, "chainID": "K", @@ -363438,7 +291798,7 @@ } }, { - "pk": 4929, + "pk": 3953, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -363458,13 +291818,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 283, + "sidechain_THR": 222, "sidechain_TRP": null, - "next": 4930, + "next": 3954, "sidechain_SER": null, "bm": 73.0, "xpr": false, - "prev": 4928, + "prev": 3952, "terminal_flag": false, "phi": -71.6570633657934, "chainID": "K", @@ -363499,12 +291859,12 @@ } }, { - "pk": 4930, + "pk": 3954, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 208, + "sidechain_ASN": 159, "chain": "1TWFK", "sidechain_ASP": null, "a6": 116.649547157615, @@ -363521,11 +291881,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4931, + "next": 3955, "sidechain_SER": null, "bm": 69.0, "xpr": false, - "prev": 4929, + "prev": 3953, "terminal_flag": false, "phi": -57.0259161526733, "chainID": "K", @@ -363560,7 +291920,7 @@ } }, { - "pk": 4931, + "pk": 3955, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -363576,17 +291936,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.2367162529904, - "sidechain_PHE": 193, + "sidechain_PHE": 160, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4932, + "next": 3956, "sidechain_SER": null, "bm": 67.0, "xpr": false, - "prev": 4930, + "prev": 3954, "terminal_flag": false, "phi": -82.6890414481604, "chainID": "K", @@ -363621,7 +291981,7 @@ } }, { - "pk": 4932, + "pk": 3956, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -363643,11 +292003,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4933, + "next": 3957, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 4931, + "prev": 3955, "terminal_flag": false, "phi": -60.6913456845311, "chainID": "K", @@ -363667,7 +292027,7 @@ "L1": 1.32724186361097, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 350, + "sidechain_GLU": 292, "omep": null, "ss": "H", "a3": 110.283730336421, @@ -363682,7 +292042,7 @@ } }, { - "pk": 4933, + "pk": 3957, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -363702,13 +292062,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 284, + "sidechain_THR": 223, "sidechain_TRP": null, - "next": 4934, + "next": 3958, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4932, + "prev": 3956, "terminal_flag": false, "phi": -87.1426852737373, "chainID": "K", @@ -363743,7 +292103,7 @@ } }, { - "pk": 4934, + "pk": 3958, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -363765,11 +292125,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4935, + "next": 3959, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 4933, + "prev": 3957, "terminal_flag": false, "phi": -56.5163850474254, "chainID": "K", @@ -363789,7 +292149,7 @@ "L1": 1.33296803143489, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 351, + "sidechain_GLU": 293, "omep": null, "ss": "H", "a3": 111.896503073857, @@ -363804,7 +292164,7 @@ } }, { - "pk": 4935, + "pk": 3959, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -363825,12 +292185,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 63, - "next": 4936, + "sidechain_TRP": 31, + "next": 3960, "sidechain_SER": null, "bm": 71.0, "xpr": false, - "prev": 4934, + "prev": 3958, "terminal_flag": false, "phi": -70.1287569473471, "chainID": "K", @@ -363865,12 +292225,12 @@ } }, { - "pk": 4936, + "pk": 3960, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 209, + "sidechain_ASN": 160, "chain": "1TWFK", "sidechain_ASP": null, "a6": 116.102911688588, @@ -363887,11 +292247,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4937, + "next": 3961, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 4935, + "prev": 3959, "terminal_flag": false, "phi": -74.2508875878408, "chainID": "K", @@ -363926,7 +292286,7 @@ } }, { - "pk": 4937, + "pk": 3961, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -363948,11 +292308,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4938, + "next": 3962, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4936, + "prev": 3960, "terminal_flag": false, "phi": -66.07942758101, "chainID": "K", @@ -363979,7 +292339,7 @@ "bs": 77.0, "a2": 109.891892669558, "a5": 119.976076265855, - "sidechain_LEU": 420, + "sidechain_LEU": 360, "chainIndex": 111, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -363987,7 +292347,7 @@ } }, { - "pk": 4938, + "pk": 3962, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -364009,15 +292369,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4939, + "next": 3963, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4937, + "prev": 3961, "terminal_flag": false, "phi": -99.7206901498387, "chainID": "K", - "sidechain_GLN": 189, + "sidechain_GLN": 162, "ome": -178.961092832313, "chi2": -42.3981533448573, "chi3": -48.9086445151972, @@ -364048,7 +292408,7 @@ } }, { - "pk": 4939, + "pk": 3963, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -364068,13 +292428,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 285, + "sidechain_THR": 224, "sidechain_TRP": null, - "next": 4940, + "next": 3964, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 4938, + "prev": 3962, "terminal_flag": false, "phi": -112.426504070762, "chainID": "K", @@ -364109,7 +292469,7 @@ } }, { - "pk": 4940, + "pk": 3964, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -364135,7 +292495,7 @@ "sidechain_SER": null, "bm": 89.0, "xpr": false, - "prev": 4939, + "prev": 3963, "terminal_flag": false, "phi": 170.530620620544, "chainID": "K", @@ -364162,7 +292522,7 @@ "bs": 87.0, "a2": 110.932514370014, "a5": 118.882829669255, - "sidechain_LEU": 421, + "sidechain_LEU": 361, "chainIndex": 114, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -364170,7 +292530,7 @@ } }, { - "pk": 4941, + "pk": 3965, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -364189,10 +292549,10 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 137, + "sidechain_MET": 110, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4942, + "next": 3966, "sidechain_SER": null, "bm": 50.0, "xpr": false, @@ -364231,7 +292591,7 @@ } }, { - "pk": 4942, + "pk": 3966, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -364244,7 +292604,7 @@ "oldID": "2", "bg": 56.47, "sidechain_CYS": null, - "sidechain_ILE": 313, + "sidechain_ILE": 261, "protein": "1TWF", "zeta": 36.502628780979, "sidechain_PHE": null, @@ -364253,11 +292613,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4943, + "next": 3967, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4941, + "prev": 3965, "terminal_flag": false, "phi": -141.403048746485, "chainID": "J", @@ -364292,7 +292652,7 @@ } }, { - "pk": 4943, + "pk": 3967, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -364310,15 +292670,15 @@ "zeta": 35.1865912381878, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 323, + "sidechain_VAL": 271, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4944, + "next": 3968, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4942, + "prev": 3966, "terminal_flag": false, "phi": -45.9041169154012, "chainID": "J", @@ -364353,11 +292713,11 @@ } }, { - "pk": 4944, + "pk": 3968, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 245, + "sidechain_PRO": 189, "sidechain_ASN": null, "chain": "1TWFJ", "sidechain_ASP": null, @@ -364375,11 +292735,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4945, + "next": 3969, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4943, + "prev": 3967, "terminal_flag": false, "phi": -55.4081487705935, "chainID": "J", @@ -364414,7 +292774,7 @@ } }, { - "pk": 4945, + "pk": 3969, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -364432,15 +292792,15 @@ "zeta": 34.4627994943171, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 324, + "sidechain_VAL": 272, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4946, + "next": 3970, "sidechain_SER": null, "bm": 38.0, "xpr": false, - "prev": 4944, + "prev": 3968, "terminal_flag": false, "phi": -57.4250019514439, "chainID": "J", @@ -364475,7 +292835,7 @@ } }, { - "pk": 4946, + "pk": 3970, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -364497,11 +292857,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4947, + "next": 3971, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4945, + "prev": 3969, "terminal_flag": false, "phi": -119.545411670365, "chainID": "J", @@ -364519,7 +292879,7 @@ "L3": 1.54345203004527, "a7": 123.739486981365, "L1": 1.32791243513583, - "sidechain_ARG": 269, + "sidechain_ARG": 228, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -364536,7 +292896,7 @@ } }, { - "pk": 4947, + "pk": 3971, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -364548,7 +292908,7 @@ "psi": 127.336368862662, "oldID": "7", "bg": 33.41, - "sidechain_CYS": 93, + "sidechain_CYS": 75, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.5710261801042, @@ -364558,11 +292918,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4948, + "next": 3972, "sidechain_SER": null, "bm": 34.0, "xpr": false, - "prev": 4946, + "prev": 3970, "terminal_flag": false, "phi": -76.8437213344783, "chainID": "J", @@ -364597,7 +292957,7 @@ } }, { - "pk": 4948, + "pk": 3972, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -364613,17 +292973,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.7435925446012, - "sidechain_PHE": 194, + "sidechain_PHE": 161, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4949, + "next": 3973, "sidechain_SER": null, "bm": 31.0, "xpr": false, - "prev": 4947, + "prev": 3971, "terminal_flag": false, "phi": -46.487106230387, "chainID": "J", @@ -364658,7 +293018,7 @@ } }, { - "pk": 4949, + "pk": 3973, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -364680,11 +293040,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4950, - "sidechain_SER": 261, + "next": 3974, + "sidechain_SER": 215, "bm": 35.0, "xpr": false, - "prev": 4948, + "prev": 3972, "terminal_flag": false, "phi": -71.7686451133865, "chainID": "J", @@ -364719,7 +293079,7 @@ } }, { - "pk": 4950, + "pk": 3974, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -364731,7 +293091,7 @@ "psi": -19.7874948968049, "oldID": "10", "bg": 43.12, - "sidechain_CYS": 94, + "sidechain_CYS": 76, "sidechain_ILE": null, "protein": "1TWF", "zeta": 32.8119000571569, @@ -364741,11 +293101,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4951, + "next": 3975, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4949, + "prev": 3973, "terminal_flag": false, "phi": -107.495383914115, "chainID": "J", @@ -364780,7 +293140,7 @@ } }, { - "pk": 4951, + "pk": 3975, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -364802,11 +293162,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4952, + "next": 3976, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4950, + "prev": 3974, "terminal_flag": false, "phi": 91.4563779204532, "chainID": "J", @@ -364841,7 +293201,7 @@ } }, { - "pk": 4952, + "pk": 3976, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -364858,16 +293218,16 @@ "protein": "1TWF", "zeta": 36.0463491397965, "sidechain_PHE": null, - "sidechain_LYS": 317, + "sidechain_LYS": 238, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4953, + "next": 3977, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4951, + "prev": 3975, "terminal_flag": false, "phi": -50.7249423817705, "chainID": "J", @@ -364902,7 +293262,7 @@ } }, { - "pk": 4953, + "pk": 3977, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -364920,15 +293280,15 @@ "zeta": 34.5425114883241, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 325, + "sidechain_VAL": 273, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4954, + "next": 3978, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4952, + "prev": 3976, "terminal_flag": false, "phi": -56.7303507745411, "chainID": "J", @@ -364963,7 +293323,7 @@ } }, { - "pk": 4954, + "pk": 3978, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -364981,15 +293341,15 @@ "zeta": 35.4750834933637, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 326, + "sidechain_VAL": 274, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4955, + "next": 3979, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4953, + "prev": 3977, "terminal_flag": false, "phi": -130.049776105083, "chainID": "J", @@ -365024,7 +293384,7 @@ } }, { - "pk": 4955, + "pk": 3979, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -365046,11 +293406,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4956, + "next": 3980, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4954, + "prev": 3978, "terminal_flag": false, "phi": -76.8754579916921, "chainID": "J", @@ -365085,14 +293445,14 @@ } }, { - "pk": 4956, + "pk": 3980, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFJ", - "sidechain_ASP": 310, + "sidechain_ASP": 257, "a6": 115.898444977285, "psi": 25.0988491654287, "oldID": "16", @@ -365107,11 +293467,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4957, + "next": 3981, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4955, + "prev": 3979, "terminal_flag": false, "phi": -131.908917431707, "chainID": "J", @@ -365146,7 +293506,7 @@ } }, { - "pk": 4957, + "pk": 3981, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -365163,16 +293523,16 @@ "protein": "1TWF", "zeta": 35.0259399771532, "sidechain_PHE": null, - "sidechain_LYS": 318, + "sidechain_LYS": 239, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4958, + "next": 3982, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4956, + "prev": 3980, "terminal_flag": false, "phi": -136.340749404896, "chainID": "J", @@ -365207,7 +293567,7 @@ } }, { - "pk": 4958, + "pk": 3982, "model": "pgd_core.residue", "fields": { "aa": "w", @@ -365228,12 +293588,12 @@ "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, - "sidechain_TRP": 64, - "next": 4959, + "sidechain_TRP": 32, + "next": 3983, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4957, + "prev": 3981, "terminal_flag": false, "phi": -66.7545161022208, "chainID": "J", @@ -365268,7 +293628,7 @@ } }, { - "pk": 4959, + "pk": 3983, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -365290,11 +293650,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4960, + "next": 3984, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4958, + "prev": 3982, "terminal_flag": false, "phi": -58.9181231308008, "chainID": "J", @@ -365314,7 +293674,7 @@ "L1": 1.32503666813681, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 352, + "sidechain_GLU": 294, "omep": null, "ss": "H", "a3": 113.143248706108, @@ -365329,7 +293689,7 @@ } }, { - "pk": 4960, + "pk": 3984, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -365351,11 +293711,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4961, - "sidechain_SER": 262, + "next": 3985, + "sidechain_SER": 216, "bm": 50.0, "xpr": false, - "prev": 4959, + "prev": 3983, "terminal_flag": false, "phi": -66.8563480056209, "chainID": "J", @@ -365390,7 +293750,7 @@ } }, { - "pk": 4961, + "pk": 3985, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -365412,11 +293772,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4962, + "next": 3986, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4960, + "prev": 3984, "terminal_flag": false, "phi": -59.7633705614649, "chainID": "J", @@ -365435,7 +293795,7 @@ "a7": 123.581093063414, "L1": 1.3312843334669, "sidechain_ARG": null, - "sidechain_TYR": 159, + "sidechain_TYR": 116, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -365451,7 +293811,7 @@ } }, { - "pk": 4962, + "pk": 3986, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -365473,11 +293833,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4963, + "next": 3987, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4961, + "prev": 3985, "terminal_flag": false, "phi": -58.6398825780355, "chainID": "J", @@ -365504,7 +293864,7 @@ "bs": 46.0, "a2": 109.554449072897, "a5": 119.911619225664, - "sidechain_LEU": 422, + "sidechain_LEU": 362, "chainIndex": 22, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -365512,12 +293872,12 @@ } }, { - "pk": 4963, + "pk": 3987, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 210, + "sidechain_ASN": 161, "chain": "1TWFJ", "sidechain_ASP": null, "a6": 116.667046518742, @@ -365534,11 +293894,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4964, + "next": 3988, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 4962, + "prev": 3986, "terminal_flag": false, "phi": -63.0280783363374, "chainID": "J", @@ -365573,7 +293933,7 @@ } }, { - "pk": 4964, + "pk": 3988, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -365595,11 +293955,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4965, + "next": 3989, "sidechain_SER": null, "bm": 61.0, "xpr": false, - "prev": 4963, + "prev": 3987, "terminal_flag": false, "phi": -56.4464117650249, "chainID": "J", @@ -365626,7 +293986,7 @@ "bs": 58.0, "a2": 110.466037681471, "a5": 120.077019067079, - "sidechain_LEU": 423, + "sidechain_LEU": 363, "chainIndex": 24, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -365634,7 +293994,7 @@ } }, { - "pk": 4965, + "pk": 3989, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -365656,11 +294016,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4966, + "next": 3990, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 4964, + "prev": 3988, "terminal_flag": false, "phi": -96.7254830440988, "chainID": "J", @@ -365687,7 +294047,7 @@ "bs": 66.0, "a2": 110.25264664256, "a5": 120.479353810674, - "sidechain_LEU": 424, + "sidechain_LEU": 364, "chainIndex": 25, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -365695,7 +294055,7 @@ } }, { - "pk": 4966, + "pk": 3990, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -365717,15 +294077,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4967, + "next": 3991, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 4965, + "prev": 3989, "terminal_flag": false, "phi": -74.7459673105422, "chainID": "J", - "sidechain_GLN": 190, + "sidechain_GLN": 163, "ome": -178.459336628684, "chi2": -153.217363573628, "chi3": 69.8989885068191, @@ -365756,7 +294116,7 @@ } }, { - "pk": 4967, + "pk": 3991, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -365778,11 +294138,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4968, + "next": 3992, "sidechain_SER": null, "bm": 81.0, "xpr": false, - "prev": 4966, + "prev": 3990, "terminal_flag": false, "phi": -64.6546200688052, "chainID": "J", @@ -365802,7 +294162,7 @@ "L1": 1.32641983682933, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 353, + "sidechain_GLU": 295, "omep": null, "ss": "T", "a3": 116.424913879981, @@ -365817,14 +294177,14 @@ } }, { - "pk": 4968, + "pk": 3992, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFJ", - "sidechain_ASP": 311, + "sidechain_ASP": 258, "a6": 115.146812326501, "psi": -3.77574794994847, "oldID": "28", @@ -365839,11 +294199,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4969, + "next": 3993, "sidechain_SER": null, "bm": 80.0, "xpr": false, - "prev": 4967, + "prev": 3991, "terminal_flag": false, "phi": -97.3923875184239, "chainID": "J", @@ -365878,7 +294238,7 @@ } }, { - "pk": 4969, + "pk": 3993, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -365900,11 +294260,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4970, + "next": 3994, "sidechain_SER": null, "bm": 78.0, "xpr": false, - "prev": 4968, + "prev": 3992, "terminal_flag": false, "phi": 46.7589747946159, "chainID": "J", @@ -365924,7 +294284,7 @@ "L1": 1.3259097942601, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 354, + "sidechain_GLU": 296, "omep": null, "ss": "-", "a3": 114.388299770924, @@ -365939,7 +294299,7 @@ } }, { - "pk": 4970, + "pk": 3994, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -365961,11 +294321,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4971, + "next": 3995, "sidechain_SER": null, "bm": 70.0, "xpr": false, - "prev": 4969, + "prev": 3993, "terminal_flag": false, "phi": -88.9926010729329, "chainID": "J", @@ -365992,7 +294352,7 @@ "bs": 70.0, "a2": 111.043370387922, "a5": 120.429123178092, - "sidechain_LEU": 425, + "sidechain_LEU": 365, "chainIndex": 30, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -366000,14 +294360,14 @@ } }, { - "pk": 4971, + "pk": 3995, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFJ", - "sidechain_ASP": 312, + "sidechain_ASP": 259, "a6": 116.881912990495, "psi": 154.605995809231, "oldID": "31", @@ -366022,11 +294382,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4972, + "next": 3996, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 4970, + "prev": 3994, "terminal_flag": false, "phi": -84.0917732015014, "chainID": "J", @@ -366061,7 +294421,7 @@ } }, { - "pk": 4972, + "pk": 3996, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -366083,11 +294443,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4973, + "next": 3997, "sidechain_SER": null, "bm": 60.0, "xpr": false, - "prev": 4971, + "prev": 3995, "terminal_flag": false, "phi": -45.7576099995393, "chainID": "J", @@ -366107,7 +294467,7 @@ "L1": 1.33141742834914, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 355, + "sidechain_GLU": 297, "omep": null, "ss": "H", "a3": 113.80211163533, @@ -366122,7 +294482,7 @@ } }, { - "pk": 4973, + "pk": 3997, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -366144,11 +294504,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4974, + "next": 3998, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 4972, + "prev": 3996, "terminal_flag": false, "phi": -55.0330798116986, "chainID": "J", @@ -366183,7 +294543,7 @@ } }, { - "pk": 4974, + "pk": 3998, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -366203,13 +294563,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 286, + "sidechain_THR": 225, "sidechain_TRP": null, - "next": 4975, + "next": 3999, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4973, + "prev": 3997, "terminal_flag": false, "phi": -61.9415732298696, "chainID": "J", @@ -366244,7 +294604,7 @@ } }, { - "pk": 4975, + "pk": 3999, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -366266,11 +294626,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4976, + "next": 4000, "sidechain_SER": null, "bm": 52.0, "xpr": false, - "prev": 4974, + "prev": 3998, "terminal_flag": false, "phi": -71.0009583677939, "chainID": "J", @@ -366305,7 +294665,7 @@ } }, { - "pk": 4976, + "pk": 4000, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -366327,11 +294687,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4977, + "next": 4001, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 4975, + "prev": 3999, "terminal_flag": false, "phi": -53.6761011996507, "chainID": "J", @@ -366358,7 +294718,7 @@ "bs": 54.0, "a2": 110.584733792717, "a5": 120.517329023635, - "sidechain_LEU": 426, + "sidechain_LEU": 366, "chainIndex": 36, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -366366,7 +294726,7 @@ } }, { - "pk": 4977, + "pk": 4001, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -366388,11 +294748,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4978, - "sidechain_SER": 263, + "next": 4002, + "sidechain_SER": 217, "bm": 55.0, "xpr": false, - "prev": 4976, + "prev": 4000, "terminal_flag": false, "phi": -65.91637306123, "chainID": "J", @@ -366427,7 +294787,7 @@ } }, { - "pk": 4978, + "pk": 4002, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -366449,11 +294809,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4979, + "next": 4003, "sidechain_SER": null, "bm": 56.0, "xpr": false, - "prev": 4977, + "prev": 4001, "terminal_flag": false, "phi": -82.6732583093712, "chainID": "J", @@ -366471,7 +294831,7 @@ "L3": 1.52478948335354, "a7": 122.422454379396, "L1": 1.32501662357493, - "sidechain_ARG": 270, + "sidechain_ARG": 229, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -366488,7 +294848,7 @@ } }, { - "pk": 4979, + "pk": 4003, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -366510,11 +294870,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4980, + "next": 4004, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4978, + "prev": 4002, "terminal_flag": false, "phi": -98.4025185895373, "chainID": "J", @@ -366541,7 +294901,7 @@ "bs": 51.0, "a2": 111.57006740069, "a5": 120.431205600343, - "sidechain_LEU": 427, + "sidechain_LEU": 367, "chainIndex": 39, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -366549,7 +294909,7 @@ } }, { - "pk": 4980, + "pk": 4004, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -366571,11 +294931,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4981, + "next": 4005, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4979, + "prev": 4003, "terminal_flag": false, "phi": 80.1526427750553, "chainID": "J", @@ -366610,7 +294970,7 @@ } }, { - "pk": 4981, + "pk": 4005, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -366632,11 +294992,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4982, + "next": 4006, "sidechain_SER": null, "bm": 45.0, "xpr": false, - "prev": 4980, + "prev": 4004, "terminal_flag": false, "phi": -86.5462279682348, "chainID": "J", @@ -366663,7 +295023,7 @@ "bs": 46.0, "a2": 108.352898746845, "a5": 120.472539121054, - "sidechain_LEU": 428, + "sidechain_LEU": 368, "chainIndex": 41, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -366671,7 +295031,7 @@ } }, { - "pk": 4982, + "pk": 4006, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -366688,16 +295048,16 @@ "protein": "1TWF", "zeta": 33.2674051913293, "sidechain_PHE": null, - "sidechain_LYS": 319, + "sidechain_LYS": 240, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4983, + "next": 4007, "sidechain_SER": null, "bm": 46.0, "xpr": false, - "prev": 4981, + "prev": 4005, "terminal_flag": false, "phi": -97.5315328012861, "chainID": "J", @@ -366732,7 +295092,7 @@ } }, { - "pk": 4983, + "pk": 4007, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -366754,11 +295114,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4984, + "next": 4008, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4982, + "prev": 4006, "terminal_flag": false, "phi": -78.1468556213916, "chainID": "J", @@ -366776,7 +295136,7 @@ "L3": 1.53296370600469, "a7": 123.177309557871, "L1": 1.32939337551689, - "sidechain_ARG": 271, + "sidechain_ARG": 230, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -366793,7 +295153,7 @@ } }, { - "pk": 4984, + "pk": 4008, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -366815,11 +295175,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4985, + "next": 4009, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4983, + "prev": 4007, "terminal_flag": false, "phi": -41.7674321844668, "chainID": "J", @@ -366838,7 +295198,7 @@ "a7": 122.452074147338, "L1": 1.33643823474081, "sidechain_ARG": null, - "sidechain_TYR": 160, + "sidechain_TYR": 117, "sidechain_GLU": null, "omep": null, "ss": "H", @@ -366854,7 +295214,7 @@ } }, { - "pk": 4985, + "pk": 4009, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -366866,7 +295226,7 @@ "psi": -41.4299552955617, "oldID": "45", "bg": 37.3, - "sidechain_CYS": 95, + "sidechain_CYS": 77, "sidechain_ILE": null, "protein": "1TWF", "zeta": 32.9511851056996, @@ -366876,11 +295236,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4986, + "next": 4010, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4984, + "prev": 4008, "terminal_flag": false, "phi": -69.477444208549, "chainID": "J", @@ -366915,7 +295275,7 @@ } }, { - "pk": 4986, + "pk": 4010, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -366927,7 +295287,7 @@ "psi": -38.7794157671419, "oldID": "46", "bg": 46.91, - "sidechain_CYS": 96, + "sidechain_CYS": 78, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.4944416845177, @@ -366937,11 +295297,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4987, + "next": 4011, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4985, + "prev": 4009, "terminal_flag": false, "phi": -76.2363935649169, "chainID": "J", @@ -366976,7 +295336,7 @@ } }, { - "pk": 4987, + "pk": 4011, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -366998,11 +295358,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4988, + "next": 4012, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4986, + "prev": 4010, "terminal_flag": false, "phi": -57.373380437181, "chainID": "J", @@ -367020,7 +295380,7 @@ "L3": 1.53364947710758, "a7": 122.94235972292, "L1": 1.32906896513715, - "sidechain_ARG": 272, + "sidechain_ARG": 231, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -367037,7 +295397,7 @@ } }, { - "pk": 4988, + "pk": 4012, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -367059,11 +295419,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4989, + "next": 4013, "sidechain_SER": null, "bm": 40.0, "xpr": false, - "prev": 4987, + "prev": 4011, "terminal_flag": false, "phi": -59.6000593963805, "chainID": "J", @@ -367081,7 +295441,7 @@ "L3": 1.53971202508751, "a7": 123.624867614907, "L1": 1.33445726746004, - "sidechain_ARG": 273, + "sidechain_ARG": 232, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -367098,7 +295458,7 @@ } }, { - "pk": 4989, + "pk": 4013, "model": "pgd_core.residue", "fields": { "aa": "m", @@ -367117,14 +295477,14 @@ "sidechain_PHE": null, "sidechain_LYS": null, "sidechain_VAL": null, - "sidechain_MET": 138, + "sidechain_MET": 111, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4990, + "next": 4014, "sidechain_SER": null, "bm": 39.0, "xpr": false, - "prev": 4988, + "prev": 4012, "terminal_flag": false, "phi": -47.4760479699725, "chainID": "J", @@ -367159,7 +295519,7 @@ } }, { - "pk": 4990, + "pk": 4014, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -367172,7 +295532,7 @@ "oldID": "50", "bg": 34.06, "sidechain_CYS": null, - "sidechain_ILE": 314, + "sidechain_ILE": 262, "protein": "1TWF", "zeta": 34.7247015768886, "sidechain_PHE": null, @@ -367181,11 +295541,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4991, + "next": 4015, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4989, + "prev": 4013, "terminal_flag": false, "phi": -87.274212182998, "chainID": "J", @@ -367220,7 +295580,7 @@ } }, { - "pk": 4991, + "pk": 4015, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -367242,11 +295602,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4992, + "next": 4016, "sidechain_SER": null, "bm": 35.0, "xpr": false, - "prev": 4990, + "prev": 4014, "terminal_flag": false, "phi": -56.4618508925388, "chainID": "J", @@ -367273,7 +295633,7 @@ "bs": 32.0, "a2": 108.645357589435, "a5": 120.693282231634, - "sidechain_LEU": 429, + "sidechain_LEU": 369, "chainIndex": 51, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -367281,7 +295641,7 @@ } }, { - "pk": 4992, + "pk": 4016, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -367301,13 +295661,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 287, + "sidechain_THR": 226, "sidechain_TRP": null, - "next": 4993, + "next": 4017, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4991, + "prev": 4015, "terminal_flag": false, "phi": -104.708549727186, "chainID": "J", @@ -367342,7 +295702,7 @@ } }, { - "pk": 4993, + "pk": 4017, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -367364,11 +295724,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4994, + "next": 4018, "sidechain_SER": null, "bm": 37.0, "xpr": false, - "prev": 4992, + "prev": 4016, "terminal_flag": false, "phi": -60.6443665498176, "chainID": "J", @@ -367397,13 +295757,13 @@ "a5": 120.956947808133, "sidechain_LEU": null, "chainIndex": 53, - "sidechain_HIS": 128, + "sidechain_HIS": 106, "h_bond_energy": 0.0, "a4": 110.223600412754 } }, { - "pk": 4994, + "pk": 4018, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -367421,15 +295781,15 @@ "zeta": 34.726954685963, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 327, + "sidechain_VAL": 275, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4995, + "next": 4019, "sidechain_SER": null, "bm": 41.0, "xpr": false, - "prev": 4993, + "prev": 4017, "terminal_flag": false, "phi": -136.660595951484, "chainID": "J", @@ -367464,14 +295824,14 @@ } }, { - "pk": 4995, + "pk": 4019, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFJ", - "sidechain_ASP": 313, + "sidechain_ASP": 260, "a6": 114.528968307867, "psi": 76.1706736458493, "oldID": "55", @@ -367486,11 +295846,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4996, + "next": 4020, "sidechain_SER": null, "bm": 47.0, "xpr": false, - "prev": 4994, + "prev": 4018, "terminal_flag": false, "phi": -79.5255905960869, "chainID": "J", @@ -367525,7 +295885,7 @@ } }, { - "pk": 4996, + "pk": 4020, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -367547,11 +295907,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4997, + "next": 4021, "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 4995, + "prev": 4019, "terminal_flag": false, "phi": -73.2247175035062, "chainID": "J", @@ -367578,7 +295938,7 @@ "bs": 48.0, "a2": 109.72113889582, "a5": 120.064046621217, - "sidechain_LEU": 430, + "sidechain_LEU": 370, "chainIndex": 56, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -367586,7 +295946,7 @@ } }, { - "pk": 4997, + "pk": 4021, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -367599,7 +295959,7 @@ "oldID": "57", "bg": 49.0, "sidechain_CYS": null, - "sidechain_ILE": 315, + "sidechain_ILE": 263, "protein": "1TWF", "zeta": 33.8429434082009, "sidechain_PHE": null, @@ -367608,11 +295968,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4998, + "next": 4022, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4996, + "prev": 4020, "terminal_flag": false, "phi": -58.1586868992657, "chainID": "J", @@ -367647,7 +296007,7 @@ } }, { - "pk": 4998, + "pk": 4022, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -367669,11 +296029,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 4999, + "next": 4023, "sidechain_SER": null, "bm": 51.0, "xpr": false, - "prev": 4997, + "prev": 4021, "terminal_flag": false, "phi": -54.719582186614, "chainID": "J", @@ -367693,7 +296053,7 @@ "L1": 1.33241381781785, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 356, + "sidechain_GLU": 298, "omep": null, "ss": "H", "a3": 108.908245826365, @@ -367708,7 +296068,7 @@ } }, { - "pk": 4999, + "pk": 4023, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -367725,16 +296085,16 @@ "protein": "1TWF", "zeta": 33.6151103028408, "sidechain_PHE": null, - "sidechain_LYS": 320, + "sidechain_LYS": 241, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5000, + "next": 4024, "sidechain_SER": null, "bm": 50.0, "xpr": false, - "prev": 4998, + "prev": 4022, "terminal_flag": false, "phi": -69.4857534601087, "chainID": "J", @@ -367769,7 +296129,7 @@ } }, { - "pk": 5000, + "pk": 4024, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -367785,17 +296145,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.4933254599459, - "sidechain_PHE": 195, + "sidechain_PHE": 162, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5001, + "next": 4025, "sidechain_SER": null, "bm": 48.0, "xpr": false, - "prev": 4999, + "prev": 4023, "terminal_flag": false, "phi": -63.4776586307657, "chainID": "J", @@ -367830,7 +296190,7 @@ } }, { - "pk": 5001, + "pk": 4025, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -367852,11 +296212,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5002, + "next": 4026, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 5000, + "prev": 4024, "terminal_flag": false, "phi": -53.6780579727368, "chainID": "J", @@ -367883,7 +296243,7 @@ "bs": 49.0, "a2": 110.279244630775, "a5": 120.588889795756, - "sidechain_LEU": 431, + "sidechain_LEU": 371, "chainIndex": 61, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -367891,7 +296251,7 @@ } }, { - "pk": 5002, + "pk": 4026, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -367913,11 +296273,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5003, + "next": 4027, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 5001, + "prev": 4025, "terminal_flag": false, "phi": -74.2746201032414, "chainID": "J", @@ -367935,7 +296295,7 @@ "L3": 1.52951985576106, "a7": 122.759585086953, "L1": 1.32811686965299, - "sidechain_ARG": 274, + "sidechain_ARG": 233, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -367952,7 +296312,7 @@ } }, { - "pk": 5003, + "pk": 4027, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -367974,11 +296334,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5004, + "next": 4028, "sidechain_SER": null, "bm": 66.0, "xpr": false, - "prev": 5002, + "prev": 4026, "terminal_flag": false, "phi": -97.8597575324168, "chainID": "J", @@ -367997,7 +296357,7 @@ "a7": 122.830025977409, "L1": 1.3280334805449, "sidechain_ARG": null, - "sidechain_TYR": 161, + "sidechain_TYR": 118, "sidechain_GLU": null, "omep": null, "ss": "-", @@ -368013,12 +296373,12 @@ } }, { - "pk": 5004, + "pk": 4028, "model": "pgd_core.residue", "fields": { "aa": "n", "sidechain_PRO": null, - "sidechain_ASN": 211, + "sidechain_ASN": 162, "chain": "1TWFJ", "sidechain_ASP": null, "a6": 117.142657892094, @@ -368035,11 +296395,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5005, + "next": 4029, "sidechain_SER": null, "bm": 83.0, "xpr": false, - "prev": 5003, + "prev": 4027, "terminal_flag": false, "phi": -95.5495530938728, "chainID": "J", @@ -368074,11 +296434,11 @@ } }, { - "pk": 5005, + "pk": 4029, "model": "pgd_core.residue", "fields": { "aa": "p", - "sidechain_PRO": 246, + "sidechain_PRO": 190, "sidechain_ASN": null, "chain": "1TWFJ", "sidechain_ASP": null, @@ -368100,7 +296460,7 @@ "sidechain_SER": null, "bm": 94.0, "xpr": false, - "prev": 5004, + "prev": 4028, "terminal_flag": true, "phi": -84.5595312881623, "chainID": "J", @@ -368135,7 +296495,7 @@ } }, { - "pk": 5006, + "pk": 4030, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -368157,7 +296517,7 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5007, + "next": 4031, "sidechain_SER": null, "bm": 133.0, "xpr": false, @@ -368196,7 +296556,7 @@ } }, { - "pk": 5007, + "pk": 4031, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -368216,13 +296576,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 288, + "sidechain_THR": 227, "sidechain_TRP": null, - "next": 5008, + "next": 4032, "sidechain_SER": null, "bm": 131.0, "xpr": false, - "prev": 5006, + "prev": 4030, "terminal_flag": false, "phi": 62.0295347753993, "chainID": "L", @@ -368257,7 +296617,7 @@ } }, { - "pk": 5008, + "pk": 4032, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -368279,11 +296639,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5009, + "next": 4033, "sidechain_SER": null, "bm": 124.0, "xpr": false, - "prev": 5007, + "prev": 4031, "terminal_flag": false, "phi": -169.851325796395, "chainID": "L", @@ -368310,7 +296670,7 @@ "bs": 125.0, "a2": 110.642714171509, "a5": 120.403684595169, - "sidechain_LEU": 432, + "sidechain_LEU": 372, "chainIndex": 3, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -368318,7 +296678,7 @@ } }, { - "pk": 5009, + "pk": 4033, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -368335,16 +296695,16 @@ "protein": "1TWF", "zeta": 33.476648074827, "sidechain_PHE": null, - "sidechain_LYS": 321, + "sidechain_LYS": 242, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5010, + "next": 4034, "sidechain_SER": null, "bm": 113.0, "xpr": false, - "prev": 5008, + "prev": 4032, "terminal_flag": false, "phi": -50.6093206869368, "chainID": "L", @@ -368379,7 +296739,7 @@ } }, { - "pk": 5010, + "pk": 4034, "model": "pgd_core.residue", "fields": { "aa": "y", @@ -368401,11 +296761,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5011, + "next": 4035, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 5009, + "prev": 4033, "terminal_flag": false, "phi": -109.014719335343, "chainID": "L", @@ -368424,7 +296784,7 @@ "a7": 122.973896171582, "L1": 1.32887152482116, "sidechain_ARG": null, - "sidechain_TYR": 162, + "sidechain_TYR": 119, "sidechain_GLU": null, "omep": null, "ss": "E", @@ -368440,7 +296800,7 @@ } }, { - "pk": 5011, + "pk": 4035, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -368453,7 +296813,7 @@ "oldID": "30", "bg": 99.51, "sidechain_CYS": null, - "sidechain_ILE": 316, + "sidechain_ILE": 264, "protein": "1TWF", "zeta": 35.608730786458, "sidechain_PHE": null, @@ -368462,11 +296822,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5012, + "next": 4036, "sidechain_SER": null, "bm": 100.0, "xpr": false, - "prev": 5010, + "prev": 4034, "terminal_flag": false, "phi": -129.769648211304, "chainID": "L", @@ -368501,7 +296861,7 @@ } }, { - "pk": 5012, + "pk": 4036, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -368513,7 +296873,7 @@ "psi": 145.141442319824, "oldID": "31", "bg": 102.02, - "sidechain_CYS": 97, + "sidechain_CYS": 79, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.485941502356, @@ -368523,11 +296883,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5013, + "next": 4037, "sidechain_SER": null, "bm": 99.0, "xpr": false, - "prev": 5011, + "prev": 4035, "terminal_flag": false, "phi": -85.5751424787831, "chainID": "L", @@ -368562,7 +296922,7 @@ } }, { - "pk": 5013, + "pk": 4037, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -368584,11 +296944,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5014, + "next": 4038, "sidechain_SER": null, "bm": 101.0, "xpr": false, - "prev": 5012, + "prev": 4036, "terminal_flag": false, "phi": -60.6215463743121, "chainID": "L", @@ -368623,7 +296983,7 @@ } }, { - "pk": 5014, + "pk": 4038, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -368645,11 +297005,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5015, + "next": 4039, "sidechain_SER": null, "bm": 104.0, "xpr": false, - "prev": 5013, + "prev": 4037, "terminal_flag": false, "phi": -94.1383540119193, "chainID": "L", @@ -368669,7 +297029,7 @@ "L1": 1.32992828936492, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 357, + "sidechain_GLU": 299, "omep": null, "ss": "S", "a3": 117.59456277825, @@ -368684,7 +297044,7 @@ } }, { - "pk": 5015, + "pk": 4039, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -368696,7 +297056,7 @@ "psi": -6.72460001603366, "oldID": "34", "bg": 94.44, - "sidechain_CYS": 98, + "sidechain_CYS": 80, "sidechain_ILE": null, "protein": "1TWF", "zeta": 33.6020215001162, @@ -368706,11 +297066,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5016, + "next": 4040, "sidechain_SER": null, "bm": 103.0, "xpr": false, - "prev": 5014, + "prev": 4038, "terminal_flag": false, "phi": -67.5581595653892, "chainID": "L", @@ -368745,7 +297105,7 @@ } }, { - "pk": 5016, + "pk": 4040, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -368767,11 +297127,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5017, - "sidechain_SER": 264, + "next": 4041, + "sidechain_SER": 218, "bm": 103.0, "xpr": false, - "prev": 5015, + "prev": 4039, "terminal_flag": false, "phi": 54.471068530744, "chainID": "L", @@ -368806,7 +297166,7 @@ } }, { - "pk": 5017, + "pk": 4041, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -368828,11 +297188,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5018, - "sidechain_SER": 265, + "next": 4042, + "sidechain_SER": 219, "bm": 105.0, "xpr": false, - "prev": 5016, + "prev": 4040, "terminal_flag": false, "phi": -78.0325258125993, "chainID": "L", @@ -368867,7 +297227,7 @@ } }, { - "pk": 5018, + "pk": 4042, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -368884,16 +297244,16 @@ "protein": "1TWF", "zeta": 34.7351111796257, "sidechain_PHE": null, - "sidechain_LYS": 322, + "sidechain_LYS": 243, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5019, + "next": 4043, "sidechain_SER": null, "bm": 106.0, "xpr": false, - "prev": 5017, + "prev": 4041, "terminal_flag": false, "phi": -59.7697241217494, "chainID": "L", @@ -368928,7 +297288,7 @@ } }, { - "pk": 5019, + "pk": 4043, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -368950,11 +297310,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5020, + "next": 4044, "sidechain_SER": null, "bm": 108.0, "xpr": false, - "prev": 5018, + "prev": 4042, "terminal_flag": false, "phi": -116.115764666684, "chainID": "L", @@ -368981,7 +297341,7 @@ "bs": 109.0, "a2": 110.009822372331, "a5": 120.378635253561, - "sidechain_LEU": 433, + "sidechain_LEU": 373, "chainIndex": 14, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -368989,7 +297349,7 @@ } }, { - "pk": 5020, + "pk": 4044, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -369011,11 +297371,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5021, - "sidechain_SER": 266, + "next": 4045, + "sidechain_SER": 220, "bm": 112.0, "xpr": false, - "prev": 5019, + "prev": 4043, "terminal_flag": false, "phi": 176.469050327544, "chainID": "L", @@ -369050,7 +297410,7 @@ } }, { - "pk": 5021, + "pk": 4045, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -369072,11 +297432,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5022, + "next": 4046, "sidechain_SER": null, "bm": 116.0, "xpr": false, - "prev": 5020, + "prev": 4044, "terminal_flag": false, "phi": -151.877193774308, "chainID": "L", @@ -369103,7 +297463,7 @@ "bs": 115.0, "a2": 110.088595811494, "a5": 120.514500078061, - "sidechain_LEU": 434, + "sidechain_LEU": 374, "chainIndex": 16, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -369111,7 +297471,7 @@ } }, { - "pk": 5022, + "pk": 4046, "model": "pgd_core.residue", "fields": { "aa": "s", @@ -369133,11 +297493,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5023, - "sidechain_SER": 267, + "next": 4047, + "sidechain_SER": 221, "bm": 121.0, "xpr": false, - "prev": 5021, + "prev": 4045, "terminal_flag": false, "phi": -102.451078234677, "chainID": "L", @@ -369172,7 +297532,7 @@ } }, { - "pk": 5023, + "pk": 4047, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -369194,11 +297554,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5024, + "next": 4048, "sidechain_SER": null, "bm": 124.0, "xpr": false, - "prev": 5022, + "prev": 4046, "terminal_flag": false, "phi": -79.7689212446434, "chainID": "L", @@ -369216,7 +297576,7 @@ "L3": 1.53045545451505, "a7": 123.345509320065, "L1": 1.33175771963809, - "sidechain_ARG": 275, + "sidechain_ARG": 234, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -369233,7 +297593,7 @@ } }, { - "pk": 5024, + "pk": 4048, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -369253,13 +297613,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 289, + "sidechain_THR": 228, "sidechain_TRP": null, - "next": 5025, + "next": 4049, "sidechain_SER": null, "bm": 126.0, "xpr": false, - "prev": 5023, + "prev": 4047, "terminal_flag": false, "phi": 67.4335747220422, "chainID": "L", @@ -369294,14 +297654,14 @@ } }, { - "pk": 5025, + "pk": 4049, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFL", - "sidechain_ASP": 314, + "sidechain_ASP": 261, "a6": 116.33905759362, "psi": 16.9114501547894, "oldID": "44", @@ -369316,11 +297676,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5026, + "next": 4050, "sidechain_SER": null, "bm": 126.0, "xpr": false, - "prev": 5024, + "prev": 4048, "terminal_flag": false, "phi": -81.780910994409, "chainID": "L", @@ -369355,7 +297715,7 @@ } }, { - "pk": 5026, + "pk": 4050, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -369377,11 +297737,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5027, + "next": 4051, "sidechain_SER": null, "bm": 125.0, "xpr": false, - "prev": 5025, + "prev": 4049, "terminal_flag": false, "phi": 60.7983091733851, "chainID": "L", @@ -369416,7 +297776,7 @@ } }, { - "pk": 5027, + "pk": 4051, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -369434,15 +297794,15 @@ "zeta": 34.7669764719827, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 328, + "sidechain_VAL": 276, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5028, + "next": 4052, "sidechain_SER": null, "bm": 124.0, "xpr": false, - "prev": 5026, + "prev": 4050, "terminal_flag": false, "phi": -137.264885236854, "chainID": "L", @@ -369477,7 +297837,7 @@ } }, { - "pk": 5028, + "pk": 4052, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -369499,11 +297859,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5029, + "next": 4053, "sidechain_SER": null, "bm": 124.0, "xpr": false, - "prev": 5027, + "prev": 4051, "terminal_flag": false, "phi": -121.087151632157, "chainID": "L", @@ -369521,7 +297881,7 @@ "L3": 1.53538496141111, "a7": 123.030273674068, "L1": 1.32814604808806, - "sidechain_ARG": 276, + "sidechain_ARG": 235, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -369538,7 +297898,7 @@ } }, { - "pk": 5029, + "pk": 4053, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -369550,7 +297910,7 @@ "psi": 178.081685742621, "oldID": "48", "bg": 126.38, - "sidechain_CYS": 99, + "sidechain_CYS": 81, "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.9673440311543, @@ -369560,11 +297920,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5030, + "next": 4054, "sidechain_SER": null, "bm": 127.0, "xpr": false, - "prev": 5028, + "prev": 4052, "terminal_flag": false, "phi": -131.082192185981, "chainID": "L", @@ -369599,7 +297959,7 @@ } }, { - "pk": 5030, + "pk": 4054, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -369616,16 +297976,16 @@ "protein": "1TWF", "zeta": 33.8020506769972, "sidechain_PHE": null, - "sidechain_LYS": 323, + "sidechain_LYS": 244, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5031, + "next": 4055, "sidechain_SER": null, "bm": 131.0, "xpr": false, - "prev": 5029, + "prev": 4053, "terminal_flag": false, "phi": -85.4649313971889, "chainID": "L", @@ -369660,14 +298020,14 @@ } }, { - "pk": 5031, + "pk": 4055, "model": "pgd_core.residue", "fields": { "aa": "d", "sidechain_PRO": null, "sidechain_ASN": null, "chain": "1TWFL", - "sidechain_ASP": 315, + "sidechain_ASP": 262, "a6": 116.911991711844, "psi": -53.4934493323796, "oldID": "50", @@ -369682,11 +298042,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5032, + "next": 4056, "sidechain_SER": null, "bm": 135.0, "xpr": false, - "prev": 5030, + "prev": 4054, "terminal_flag": false, "phi": 72.3362019141878, "chainID": "L", @@ -369721,7 +298081,7 @@ } }, { - "pk": 5032, + "pk": 4056, "model": "pgd_core.residue", "fields": { "aa": "c", @@ -369733,7 +298093,7 @@ "psi": 118.725263844892, "oldID": "51", "bg": 137.02, - "sidechain_CYS": 100, + "sidechain_CYS": 82, "sidechain_ILE": null, "protein": "1TWF", "zeta": 35.2505491586288, @@ -369743,11 +298103,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5033, + "next": 4057, "sidechain_SER": null, "bm": 134.0, "xpr": false, - "prev": 5031, + "prev": 4055, "terminal_flag": false, "phi": -87.6030241541451, "chainID": "L", @@ -369782,7 +298142,7 @@ } }, { - "pk": 5033, + "pk": 4057, "model": "pgd_core.residue", "fields": { "aa": "g", @@ -369804,11 +298164,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5034, + "next": 4058, "sidechain_SER": null, "bm": 130.0, "xpr": false, - "prev": 5032, + "prev": 4056, "terminal_flag": false, "phi": -76.5454655241151, "chainID": "L", @@ -369843,7 +298203,7 @@ } }, { - "pk": 5034, + "pk": 4058, "model": "pgd_core.residue", "fields": { "aa": "h", @@ -369865,11 +298225,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5035, + "next": 4059, "sidechain_SER": null, "bm": 125.0, "xpr": false, - "prev": 5033, + "prev": 4057, "terminal_flag": false, "phi": -62.8985162890637, "chainID": "L", @@ -369898,13 +298258,13 @@ "a5": 120.714239368175, "sidechain_LEU": null, "chainIndex": 29, - "sidechain_HIS": 129, + "sidechain_HIS": 107, "h_bond_energy": 0.0, "a4": 109.705277753237 } }, { - "pk": 5035, + "pk": 4059, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -369926,11 +298286,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5036, + "next": 4060, "sidechain_SER": null, "bm": 113.0, "xpr": false, - "prev": 5034, + "prev": 4058, "terminal_flag": false, "phi": -120.587163613958, "chainID": "L", @@ -369948,7 +298308,7 @@ "L3": 1.52875166949574, "a7": 122.678518082024, "L1": 1.32881669973286, - "sidechain_ARG": 277, + "sidechain_ARG": 236, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -369965,7 +298325,7 @@ } }, { - "pk": 5036, + "pk": 4060, "model": "pgd_core.residue", "fields": { "aa": "i", @@ -369978,7 +298338,7 @@ "oldID": "55", "bg": 97.33, "sidechain_CYS": null, - "sidechain_ILE": 317, + "sidechain_ILE": 265, "protein": "1TWF", "zeta": 33.9132872374972, "sidechain_PHE": null, @@ -369987,11 +298347,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5037, + "next": 4061, "sidechain_SER": null, "bm": 98.0, "xpr": false, - "prev": 5035, + "prev": 4059, "terminal_flag": false, "phi": -114.096618360756, "chainID": "L", @@ -370026,7 +298386,7 @@ } }, { - "pk": 5037, + "pk": 4061, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -370048,11 +298408,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5038, + "next": 4062, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 5036, + "prev": 4060, "terminal_flag": false, "phi": 67.7983936814068, "chainID": "L", @@ -370079,7 +298439,7 @@ "bs": 86.0, "a2": 109.90428506152, "a5": 120.868261749422, - "sidechain_LEU": 435, + "sidechain_LEU": 375, "chainIndex": 32, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -370087,7 +298447,7 @@ } }, { - "pk": 5038, + "pk": 4062, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -370109,11 +298469,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5039, + "next": 4063, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 5037, + "prev": 4061, "terminal_flag": false, "phi": -124.104730455162, "chainID": "L", @@ -370140,7 +298500,7 @@ "bs": 74.0, "a2": 109.542725425543, "a5": 120.422349553819, - "sidechain_LEU": 436, + "sidechain_LEU": 376, "chainIndex": 33, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -370148,7 +298508,7 @@ } }, { - "pk": 5039, + "pk": 4063, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -370165,16 +298525,16 @@ "protein": "1TWF", "zeta": 33.772789098947, "sidechain_PHE": null, - "sidechain_LYS": 324, + "sidechain_LYS": 245, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5040, + "next": 4064, "sidechain_SER": null, "bm": 74.0, "xpr": false, - "prev": 5038, + "prev": 4062, "terminal_flag": false, "phi": -54.6533226500211, "chainID": "L", @@ -370209,7 +298569,7 @@ } }, { - "pk": 5040, + "pk": 4064, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -370231,11 +298591,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5041, + "next": 4065, "sidechain_SER": null, "bm": 72.0, "xpr": false, - "prev": 5039, + "prev": 4063, "terminal_flag": false, "phi": 68.1412710775343, "chainID": "L", @@ -370270,7 +298630,7 @@ } }, { - "pk": 5041, + "pk": 4065, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -370292,11 +298652,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5042, + "next": 4066, "sidechain_SER": null, "bm": 75.0, "xpr": false, - "prev": 5040, + "prev": 4064, "terminal_flag": false, "phi": -52.2441826198049, "chainID": "L", @@ -370314,7 +298674,7 @@ "L3": 1.53180223277542, "a7": 122.967073640312, "L1": 1.33068691933659, - "sidechain_ARG": 278, + "sidechain_ARG": 237, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -370331,7 +298691,7 @@ } }, { - "pk": 5042, + "pk": 4066, "model": "pgd_core.residue", "fields": { "aa": "t", @@ -370351,13 +298711,13 @@ "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, - "sidechain_THR": 290, + "sidechain_THR": 229, "sidechain_TRP": null, - "next": 5043, + "next": 4067, "sidechain_SER": null, "bm": 79.0, "xpr": false, - "prev": 5041, + "prev": 4065, "terminal_flag": false, "phi": -70.8449345102498, "chainID": "L", @@ -370392,7 +298752,7 @@ } }, { - "pk": 5043, + "pk": 4067, "model": "pgd_core.residue", "fields": { "aa": "k", @@ -370409,16 +298769,16 @@ "protein": "1TWF", "zeta": 34.8446975229912, "sidechain_PHE": null, - "sidechain_LYS": 325, + "sidechain_LYS": 246, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5044, + "next": 4068, "sidechain_SER": null, "bm": 86.0, "xpr": false, - "prev": 5042, + "prev": 4066, "terminal_flag": false, "phi": -84.5115925215009, "chainID": "L", @@ -370453,7 +298813,7 @@ } }, { - "pk": 5044, + "pk": 4068, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -370475,11 +298835,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5045, + "next": 4069, "sidechain_SER": null, "bm": 87.0, "xpr": false, - "prev": 5043, + "prev": 4067, "terminal_flag": false, "phi": -53.0701302141082, "chainID": "L", @@ -370497,7 +298857,7 @@ "L3": 1.53543372565513, "a7": 122.747950075012, "L1": 1.33224351708899, - "sidechain_ARG": 279, + "sidechain_ARG": 238, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, @@ -370514,7 +298874,7 @@ } }, { - "pk": 5045, + "pk": 4069, "model": "pgd_core.residue", "fields": { "aa": "l", @@ -370536,11 +298896,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5046, + "next": 4070, "sidechain_SER": null, "bm": 84.0, "xpr": false, - "prev": 5044, + "prev": 4068, "terminal_flag": false, "phi": -54.6564104959398, "chainID": "L", @@ -370567,7 +298927,7 @@ "bs": 88.0, "a2": 109.40177342798, "a5": 121.188676621801, - "sidechain_LEU": 437, + "sidechain_LEU": 377, "chainIndex": 40, "sidechain_HIS": null, "h_bond_energy": 0.0, @@ -370575,7 +298935,7 @@ } }, { - "pk": 5046, + "pk": 4070, "model": "pgd_core.residue", "fields": { "aa": "v", @@ -370593,15 +298953,15 @@ "zeta": 35.3069975756358, "sidechain_PHE": null, "sidechain_LYS": null, - "sidechain_VAL": 329, + "sidechain_VAL": 277, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5047, + "next": 4071, "sidechain_SER": null, "bm": 76.0, "xpr": false, - "prev": 5045, + "prev": 4069, "terminal_flag": false, "phi": -96.4484220563672, "chainID": "L", @@ -370636,7 +298996,7 @@ } }, { - "pk": 5047, + "pk": 4071, "model": "pgd_core.residue", "fields": { "aa": "q", @@ -370658,15 +299018,15 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5048, + "next": 4072, "sidechain_SER": null, "bm": 68.0, "xpr": false, - "prev": 5046, + "prev": 4070, "terminal_flag": false, "phi": -99.3929439998029, "chainID": "L", - "sidechain_GLN": 191, + "sidechain_GLN": 164, "ome": -178.653826948836, "chi2": 165.981753982096, "chi3": -58.7060175614204, @@ -370697,7 +299057,7 @@ } }, { - "pk": 5048, + "pk": 4072, "model": "pgd_core.residue", "fields": { "aa": "f", @@ -370713,17 +299073,17 @@ "sidechain_ILE": null, "protein": "1TWF", "zeta": 34.6347213635554, - "sidechain_PHE": 196, + "sidechain_PHE": 163, "sidechain_LYS": null, "sidechain_VAL": null, "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5049, + "next": 4073, "sidechain_SER": null, "bm": 58.0, "xpr": false, - "prev": 5047, + "prev": 4071, "terminal_flag": false, "phi": -136.148435263059, "chainID": "L", @@ -370758,7 +299118,7 @@ } }, { - "pk": 5049, + "pk": 4073, "model": "pgd_core.residue", "fields": { "aa": "e", @@ -370780,11 +299140,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5050, + "next": 4074, "sidechain_SER": null, "bm": 59.0, "xpr": false, - "prev": 5048, + "prev": 4072, "terminal_flag": false, "phi": -87.8297433555029, "chainID": "L", @@ -370804,7 +299164,7 @@ "L1": 1.32457879559826, "sidechain_ARG": null, "sidechain_TYR": null, - "sidechain_GLU": 358, + "sidechain_GLU": 300, "omep": null, "ss": "-", "a3": 102.922348964988, @@ -370819,7 +299179,7 @@ } }, { - "pk": 5050, + "pk": 4074, "model": "pgd_core.residue", "fields": { "aa": "a", @@ -370841,11 +299201,11 @@ "sidechain_MET": null, "sidechain_THR": null, "sidechain_TRP": null, - "next": 5051, + "next": 4075, "sidechain_SER": null, "bm": 53.0, "xpr": false, - "prev": 5049, + "prev": 4073, "terminal_flag": false, "phi": -76.4951993904833, "chainID": "L", @@ -370880,7 +299240,7 @@ } }, { - "pk": 5051, + "pk": 4075, "model": "pgd_core.residue", "fields": { "aa": "r", @@ -370906,7 +299266,7 @@ "sidechain_SER": null, "bm": 49.0, "xpr": false, - "prev": 5050, + "prev": 4074, "terminal_flag": true, "phi": -109.391912104494, "chainID": "L", @@ -370924,7 +299284,7 @@ "L3": 1.52713487389756, "a7": null, "L1": 1.32706014980846, - "sidechain_ARG": 280, + "sidechain_ARG": 239, "sidechain_TYR": null, "sidechain_GLU": null, "omep": null, diff --git a/pgd_splicer/tests.py b/pgd_splicer/tests.py index 1471082..84ec2fc 100644 --- a/pgd_splicer/tests.py +++ b/pgd_splicer/tests.py @@ -19,7 +19,7 @@ # ./pgd_splicer/ProcessPDBTask.py --pipein < \ # ./pgd_splicer/testfiles/fixture_selection.txt # 3. Write the fixture from the database. -# $ python manage.py dumpdata pgd_splicer --indent 2 --format json > \ +# $ python manage.py dumpdata pgd_core --indent 2 --format json > \ # ./pgd_splicer/fixtures/pgd_splicer.json class MonkeyPatch: